 Entering Gaussian System, Link 0=/public3/home/sc70848/scripts/g16/g16
 Input=pd.gjf
 Output=pd.log
 Initial command:
 /public3/home/sc70848/scripts/g16/l1.exe "/public3/home/sc70848/scripts/tmp/Gau-39491.inp" -scrdir="/public3/home/sc70848/scripts/tmp/"
 Entering Link 1 = /public3/home/sc70848/scripts/g16/l1.exe PID=     39492.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
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 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
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 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                21-Jun-2022 
 ******************************************
 %nprocshared=64
 Will use up to   64 processors via shared memory.
 %mem=210GB
 %chk=pd.chk
 ---------------------------------------------
 # opt freq b3lyp/6-31g(d,p) geom=connectivity
 ---------------------------------------------
 1/18=20,19=15,26=3,38=1,57=2/1,3;
 2/9=110,12=2,17=6,18=5,40=1/2;
 3/5=1,6=6,7=101,11=2,25=1,30=1,71=1,74=-5/1,2,3;
 4//1;
 5/5=2,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7//1,2,3,16;
 1/18=20,19=15,26=3/3(2);
 2/9=110/2;
 99//99;
 2/9=110/2;
 3/5=1,6=6,7=101,11=2,25=1,30=1,71=1,74=-5/1,2,3;
 4/5=5,16=3,69=1/1;
 5/5=2,38=5/2;
 7//1,2,3,16;
 1/18=20,19=15,26=3/3(-5);
 2/9=110/2;
 6/7=2,8=2,9=2,10=2,19=2,28=1/1;
 99/9=1/99;
 -------------------
 Title Card Required
 -------------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                    -3.6984    3.07     -0.2044 
 C                    -3.5435    1.7337   -0.338 
 C                    -2.3778    1.0425   -0.3629 
 C                    -1.2383    1.7533   -0.264 
 C                    -1.3505    3.0877   -0.1066 
 C                    -2.5295    3.7225   -0.0715 
 C                    -2.2789   -0.2987   -0.5475 
 C                    -1.0561   -0.8658   -0.6855 
 C                     0.1058   -0.1948   -0.4573 
 C                    -0.0318    1.143    -0.2977 
 C                    -3.3629   -1.1116   -0.5817 
 C                    -3.3883   -2.433    -0.8563 
 C                    -2.1852   -2.8881   -1.2423 
 C                    -1.0905   -2.1223   -1.1651 
 N                     1.3268   -0.704    -0.3463 
 C                     2.3462    0.1323   -0.3322 
 C                     2.1433    1.4548   -0.2397 
 N                     0.9706    1.9117   -0.219 
 C                     3.6456   -0.1921   -0.4821 
 C                     4.6496    0.6967   -0.4089 
 C                     4.4569    2.0137   -0.1984 
 C                     3.1504    2.347    -0.1632 
 C                    -4.9007    3.7124   -0.2252 
 C                    -4.4986   -3.2192   -0.7898 
 C                     5.4707    2.9089   -0.0515 
 C                    -4.5083   -4.5277   -1.1156 
 C                    -5.5879   -5.3187   -0.9936 
 C                    -6.7914   -4.9126   -0.5419 
 C                    -6.7783   -3.5981   -0.2416 
 C                    -5.7035   -2.7984   -0.3523 
 C                    -5.0453    5.0371   -0.0174 
 C                    -6.2251    5.6791   -0.0696 
 C                    -7.4099    5.0892   -0.3252 
 C                    -7.2589    3.7628   -0.5127 
 C                    -6.0836    3.1115   -0.4688 
 C                     6.7757    2.5915   -0.163 
 C                     7.7733    3.4718    0.0269 
 C                     7.6005    4.7709    0.3446 
 C                     6.2913    5.0805    0.4368 
 C                     5.2849    4.2087    0.2534 
 N                    -8.5383    5.7112   -0.3837 
 N                    -7.8195   -5.6807   -0.4099 
 N                     8.5607    5.6099    0.5395 
 C                    -7.8083   -6.962    -0.2475 
 C                    -9.0597   -7.4418   -0.1396 
 C                    -9.8647   -6.384    -0.2255 
 C                    -9.0597   -5.3218   -0.4012 
 C                    -9.713     5.2075   -0.1985 
 C                    -10.6664   6.144    -0.3471 
 C                    -10.0236   7.2775   -0.6218 
 C                    -8.717     6.9631   -0.6448 
 C                     8.5033    6.8952    0.4258 
 C                     9.6903    7.455     0.718 
 C                     10.5088   6.4451    1.0073 
 C                     9.7694    5.3281    0.8958 
 C                    -11.202   -6.3308   -0.1661 
 C                    -11.7966  -5.1401   -0.3221 
 C                    -11.0384  -4.0614   -0.5662 
 C                    -9.6982   -4.1551   -0.6241 
 C                    -6.8334   -7.8763   -0.0645 
 C                    -7.1102   -9.1806    0.1089 
 C                    -8.3765   -9.6194    0.1452 
 C                    -9.3746   -8.7322    0.0358 
 C                    -10.5239   8.4987   -0.8514 
 C                    -9.6708    9.4855   -1.1581 
 C                    -8.3632    9.2064   -1.259 
 C                    -7.8996    7.9658   -1.0257 
 C                    -10.1627   3.9992    0.1979 
 C                    -11.4758   3.742     0.3297 
 C                    -12.3928   4.6943    0.1068 
 C                    -11.9826   5.9269   -0.2215 
 C                     11.8011   6.478     1.3582 
 C                     12.4081   5.3204    1.6524 
 C                     11.6943   4.1858    1.6208 
 C                     10.3964   4.1937    1.2692 
 C                     7.5607    7.7577   -0.0064 
 C                     7.7776    9.0845   -0.0378 
 C                     8.9605    9.6004    0.3255 
 C                     9.9449    8.7701    0.6953 
 O                     0.641    -3.2078    0.7099 
 P                     1.695    -2.4043    0.028 
 O                     3.0664   -2.7833    0.8771 
 O                     2.2117   -3.2084   -1.3265 
 C                     3.321    -2.2846    2.1608 
 C                     4.6769   -2.8087    2.6262 
 C                     1.9642   -4.5858   -1.4638 
 C                     2.5506   -5.0587   -2.791 
 H                    -4.4681    1.1724   -0.465 
 H                    -0.4739    3.7498   -0.0014 
 H                    -2.4565    4.8139    0.0414 
 H                    -4.3329   -0.6736   -0.3502 
 H                    -2.0149   -3.9079   -1.6169 
 H                    -0.1912   -2.5989   -1.5697 
 H                     3.9689   -1.2208   -0.6934 
 H                     5.652     0.2562   -0.5189 
 H                     2.8344    3.3967   -0.0679 
 H                    -3.6222   -5.037    -1.5228 
 H                    -5.4402   -6.3343   -1.3859 
 H                    -7.6407   -3.1141    0.2373 
 H                    -5.8754   -1.7715    0.0038 
 H                    -4.1965    5.6862    0.2453 
 H                    -6.166     6.738     0.2171 
 H                    -8.1008    3.1342   -0.8327 
 H                    -6.1641    2.0396   -0.7043 
 H                     7.1098    1.5812   -0.4459 
 H                     8.7697    3.0652   -0.1937 
 H                     5.962     6.0666    0.7902 
 H                     4.2837    4.6304    0.4315 
 H                    -11.8151  -7.2311   -0.0072 
 H                    -12.8954  -5.0564   -0.2915 
 H                    -11.5312  -3.0916   -0.7534 
 H                    -9.1895   -3.2273   -0.9162 
 H                    -5.7674   -7.6266    0.0129 
 H                    -6.2891   -9.9029    0.2596 
 H                    -8.594    -10.6883   0.3064 
 H                    -10.4187  -9.0734    0.1085 
 H                    -11.605    8.7044   -0.8093 
 H                    -10.0435   10.5019  -1.3662 
 H                    -7.6675    10.0045  -1.5708 
 H                    -6.8272    7.8398   -1.2253 
 H                    -9.507     3.1685    0.4892 
 H                    -11.8093   2.7417    0.6567 
 H                    -13.467    4.4779    0.2316 
 H                    -12.7219   6.7296   -0.3668 
 H                     12.3632   7.4225    1.4251 
 H                     13.467    5.3069    1.9596 
 H                     12.1774   3.2405    1.9234 
 H                     9.8959    3.222     1.3683 
 H                     6.5872    7.4483   -0.4078 
 H                     6.986     9.764    -0.399 
 H                     9.1345    10.6883   0.2805 
 H                     10.9339   9.1775    0.9562 
 H                     3.3509   -1.1715    2.1316 
 H                     2.5249   -2.6374    2.8561 
 H                     4.9169   -2.4369    3.6489 
 H                     4.6896   -3.9225    2.6562 
 H                     5.4906   -2.4748    1.9417 
 H                     2.4427   -5.1367   -0.6198 
 H                     0.8665   -4.7777   -1.4524 
 H                     3.6497   -4.8822   -2.8313 
 H                     2.3748   -6.1492   -2.938 
 H                     2.0856   -4.5196   -3.6489 
 Cl                    0.4283   -0.3393    2.5391 
 
 Add virtual bond connecting atoms Cl143      and C9         Dist= 5.70D+00.
 Add virtual bond connecting atoms Cl143      and N15        Dist= 5.75D+00.
 Add virtual bond connecting atoms Cl143      and H133       Dist= 5.79D+00.
 Add virtual bond connecting atoms Cl143      and H134       Dist= 5.91D+00.

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.3519         estimate D2E/DX2                !
 ! R2    R(1,6)                  1.3453         estimate D2E/DX2                !
 ! R3    R(1,23)                 1.3633         estimate D2E/DX2                !
 ! R4    R(2,3)                  1.3554         estimate D2E/DX2                !
 ! R5    R(2,88)                 1.0891         estimate D2E/DX2                !
 ! R6    R(3,4)                  1.3467         estimate D2E/DX2                !
 ! R7    R(3,7)                  1.3575         estimate D2E/DX2                !
 ! R8    R(4,5)                  1.3483         estimate D2E/DX2                !
 ! R9    R(4,10)                 1.3525         estimate D2E/DX2                !
 ! R10   R(5,6)                  1.3395         estimate D2E/DX2                !
 ! R11   R(5,89)                 1.1036         estimate D2E/DX2                !
 ! R12   R(6,90)                 1.0996         estimate D2E/DX2                !
 ! R13   R(7,8)                  1.3549         estimate D2E/DX2                !
 ! R14   R(7,11)                 1.3554         estimate D2E/DX2                !
 ! R15   R(8,9)                  1.361          estimate D2E/DX2                !
 ! R16   R(8,14)                 1.3454         estimate D2E/DX2                !
 ! R17   R(9,10)                 1.3543         estimate D2E/DX2                !
 ! R18   R(9,15)                 1.3276         estimate D2E/DX2                !
 ! R19   R(9,143)                3.0172         estimate D2E/DX2                !
 ! R20   R(10,18)                1.2657         estimate D2E/DX2                !
 ! R21   R(11,12)                1.3499         estimate D2E/DX2                !
 ! R22   R(11,91)                1.0892         estimate D2E/DX2                !
 ! R23   R(12,13)                1.343          estimate D2E/DX2                !
 ! R24   R(12,24)                1.3621         estimate D2E/DX2                !
 ! R25   R(13,14)                1.3382         estimate D2E/DX2                !
 ! R26   R(13,92)                1.0997         estimate D2E/DX2                !
 ! R27   R(14,93)                1.0953         estimate D2E/DX2                !
 ! R28   R(15,16)                1.3186         estimate D2E/DX2                !
 ! R29   R(15,81)                1.7795         estimate D2E/DX2                !
 ! R30   R(15,143)               3.044          estimate D2E/DX2                !
 ! R31   R(16,17)                1.3412         estimate D2E/DX2                !
 ! R32   R(16,19)                1.3476         estimate D2E/DX2                !
 ! R33   R(17,18)                1.2587         estimate D2E/DX2                !
 ! R34   R(17,22)                1.3476         estimate D2E/DX2                !
 ! R35   R(19,20)                1.3429         estimate D2E/DX2                !
 ! R36   R(19,94)                1.0988         estimate D2E/DX2                !
 ! R37   R(20,21)                1.3476         estimate D2E/DX2                !
 ! R38   R(20,95)                1.1004         estimate D2E/DX2                !
 ! R39   R(21,22)                1.3488         estimate D2E/DX2                !
 ! R40   R(21,25)                1.3604         estimate D2E/DX2                !
 ! R41   R(22,96)                1.1004         estimate D2E/DX2                !
 ! R42   R(23,31)                1.3487         estimate D2E/DX2                !
 ! R43   R(23,35)                1.349          estimate D2E/DX2                !
 ! R44   R(24,26)                1.3485         estimate D2E/DX2                !
 ! R45   R(24,30)                1.3492         estimate D2E/DX2                !
 ! R46   R(25,36)                1.3477         estimate D2E/DX2                !
 ! R47   R(25,40)                1.3479         estimate D2E/DX2                !
 ! R48   R(26,27)                1.3439         estimate D2E/DX2                !
 ! R49   R(26,97)                1.1002         estimate D2E/DX2                !
 ! R50   R(27,28)                1.3481         estimate D2E/DX2                !
 ! R51   R(27,98)                1.0987         estimate D2E/DX2                !
 ! R52   R(28,29)                1.3484         estimate D2E/DX2                !
 ! R53   R(28,42)                1.2901         estimate D2E/DX2                !
 ! R54   R(29,30)                1.3442         estimate D2E/DX2                !
 ! R55   R(29,99)                1.0988         estimate D2E/DX2                !
 ! R56   R(30,100)               1.1004         estimate D2E/DX2                !
 ! R57   R(31,32)                1.3442         estimate D2E/DX2                !
 ! R58   R(31,101)               1.1004         estimate D2E/DX2                !
 ! R59   R(32,33)                1.348          estimate D2E/DX2                !
 ! R60   R(32,102)               1.0986         estimate D2E/DX2                !
 ! R61   R(33,34)                1.3481         estimate D2E/DX2                !
 ! R62   R(33,41)                1.2898         estimate D2E/DX2                !
 ! R63   R(34,35)                1.3444         estimate D2E/DX2                !
 ! R64   R(34,103)               1.0983         estimate D2E/DX2                !
 ! R65   R(35,104)               1.1004         estimate D2E/DX2                !
 ! R66   R(36,37)                1.3439         estimate D2E/DX2                !
 ! R67   R(36,105)               1.1011         estimate D2E/DX2                !
 ! R68   R(37,38)                1.3485         estimate D2E/DX2                !
 ! R69   R(37,106)               1.0985         estimate D2E/DX2                !
 ! R70   R(38,39)                1.3485         estimate D2E/DX2                !
 ! R71   R(38,43)                1.2899         estimate D2E/DX2                !
 ! R72   R(39,40)                1.3441         estimate D2E/DX2                !
 ! R73   R(39,107)               1.0981         estimate D2E/DX2                !
 ! R74   R(40,108)               1.1009         estimate D2E/DX2                !
 ! R75   R(41,48)                1.2915         estimate D2E/DX2                !
 ! R76   R(41,51)                1.2913         estimate D2E/DX2                !
 ! R77   R(42,44)                1.2916         estimate D2E/DX2                !
 ! R78   R(42,47)                1.2911         estimate D2E/DX2                !
 ! R79   R(43,52)                1.2916         estimate D2E/DX2                !
 ! R80   R(43,55)                1.2912         estimate D2E/DX2                !
 ! R81   R(44,45)                1.3446         estimate D2E/DX2                !
 ! R82   R(44,60)                1.349          estimate D2E/DX2                !
 ! R83   R(45,46)                1.332          estimate D2E/DX2                !
 ! R84   R(45,63)                1.3398         estimate D2E/DX2                !
 ! R85   R(46,47)                1.3443         estimate D2E/DX2                !
 ! R86   R(46,56)                1.3397         estimate D2E/DX2                !
 ! R87   R(47,59)                1.3485         estimate D2E/DX2                !
 ! R88   R(48,49)                1.3447         estimate D2E/DX2                !
 ! R89   R(48,68)                1.3488         estimate D2E/DX2                !
 ! R90   R(49,50)                1.3317         estimate D2E/DX2                !
 ! R91   R(49,71)                1.3399         estimate D2E/DX2                !
 ! R92   R(50,51)                1.3441         estimate D2E/DX2                !
 ! R93   R(50,64)                1.3395         estimate D2E/DX2                !
 ! R94   R(51,67)                1.3486         estimate D2E/DX2                !
 ! R95   R(52,53)                1.3445         estimate D2E/DX2                !
 ! R96   R(52,76)                1.3488         estimate D2E/DX2                !
 ! R97   R(53,54)                1.3317         estimate D2E/DX2                !
 ! R98   R(53,79)                1.3397         estimate D2E/DX2                !
 ! R99   R(54,55)                1.3442         estimate D2E/DX2                !
 ! R100  R(54,72)                1.3395         estimate D2E/DX2                !
 ! R101  R(55,75)                1.3489         estimate D2E/DX2                !
 ! R102  R(56,57)                1.34           estimate D2E/DX2                !
 ! R103  R(56,109)               1.1008         estimate D2E/DX2                !
 ! R104  R(57,58)                1.3409         estimate D2E/DX2                !
 ! R105  R(57,110)               1.1024         estimate D2E/DX2                !
 ! R106  R(58,59)                1.3447         estimate D2E/DX2                !
 ! R107  R(58,111)               1.1038         estimate D2E/DX2                !
 ! R108  R(59,112)               1.0977         estimate D2E/DX2                !
 ! R109  R(60,61)                1.3446         estimate D2E/DX2                !
 ! R110  R(60,113)               1.0976         estimate D2E/DX2                !
 ! R111  R(61,62)                1.3407         estimate D2E/DX2                !
 ! R112  R(61,114)               1.1039         estimate D2E/DX2                !
 ! R113  R(62,63)                1.3399         estimate D2E/DX2                !
 ! R114  R(62,115)               1.1027         estimate D2E/DX2                !
 ! R115  R(63,116)               1.1008         estimate D2E/DX2                !
 ! R116  R(64,65)                1.34           estimate D2E/DX2                !
 ! R117  R(64,117)               1.1013         estimate D2E/DX2                !
 ! R118  R(65,66)                1.3409         estimate D2E/DX2                !
 ! R119  R(65,118)               1.1024         estimate D2E/DX2                !
 ! R120  R(66,67)                1.3448         estimate D2E/DX2                !
 ! R121  R(66,119)               1.1037         estimate D2E/DX2                !
 ! R122  R(67,120)               1.0981         estimate D2E/DX2                !
 ! R123  R(68,69)                1.3445         estimate D2E/DX2                !
 ! R124  R(68,121)               1.0977         estimate D2E/DX2                !
 ! R125  R(69,70)                1.3407         estimate D2E/DX2                !
 ! R126  R(69,122)               1.104          estimate D2E/DX2                !
 ! R127  R(70,71)                1.3399         estimate D2E/DX2                !
 ! R128  R(70,123)               1.1029         estimate D2E/DX2                !
 ! R129  R(71,124)               1.1009         estimate D2E/DX2                !
 ! R130  R(72,73)                1.3398         estimate D2E/DX2                !
 ! R131  R(72,125)               1.1011         estimate D2E/DX2                !
 ! R132  R(73,74)                1.3408         estimate D2E/DX2                !
 ! R133  R(73,126)               1.1026         estimate D2E/DX2                !
 ! R134  R(74,75)                1.3447         estimate D2E/DX2                !
 ! R135  R(74,127)               1.1039         estimate D2E/DX2                !
 ! R136  R(75,128)               1.0975         estimate D2E/DX2                !
 ! R137  R(76,77)                1.3448         estimate D2E/DX2                !
 ! R138  R(76,129)               1.0975         estimate D2E/DX2                !
 ! R139  R(77,78)                1.3407         estimate D2E/DX2                !
 ! R140  R(77,130)               1.104          estimate D2E/DX2                !
 ! R141  R(78,79)                1.3398         estimate D2E/DX2                !
 ! R142  R(78,131)               1.1026         estimate D2E/DX2                !
 ! R143  R(79,132)               1.101          estimate D2E/DX2                !
 ! R144  R(80,81)                1.4905         estimate D2E/DX2                !
 ! R145  R(81,82)                1.6569         estimate D2E/DX2                !
 ! R146  R(81,83)                1.6578         estimate D2E/DX2                !
 ! R147  R(82,84)                1.4005         estimate D2E/DX2                !
 ! R148  R(83,86)                1.4062         estimate D2E/DX2                !
 ! R149  R(84,85)                1.5263         estimate D2E/DX2                !
 ! R150  R(84,133)               1.1139         estimate D2E/DX2                !
 ! R151  R(84,134)               1.1143         estimate D2E/DX2                !
 ! R152  R(85,135)               1.1143         estimate D2E/DX2                !
 ! R153  R(85,136)               1.1143         estimate D2E/DX2                !
 ! R154  R(85,137)               1.1145         estimate D2E/DX2                !
 ! R155  R(86,87)                1.5261         estimate D2E/DX2                !
 ! R156  R(86,138)               1.1157         estimate D2E/DX2                !
 ! R157  R(86,139)               1.1144         estimate D2E/DX2                !
 ! R158  R(87,140)               1.1139         estimate D2E/DX2                !
 ! R159  R(87,141)               1.1143         estimate D2E/DX2                !
 ! R160  R(87,142)               1.1148         estimate D2E/DX2                !
 ! R161  R(133,143)              3.066          estimate D2E/DX2                !
 ! R162  R(134,143)              3.1269         estimate D2E/DX2                !
 ! A1    A(2,1,6)              112.9328         estimate D2E/DX2                !
 ! A2    A(2,1,23)             124.4245         estimate D2E/DX2                !
 ! A3    A(6,1,23)             122.6314         estimate D2E/DX2                !
 ! A4    A(1,2,3)              127.1878         estimate D2E/DX2                !
 ! A5    A(1,2,88)             115.0688         estimate D2E/DX2                !
 ! A6    A(3,2,88)             117.7213         estimate D2E/DX2                !
 ! A7    A(2,3,4)              117.207          estimate D2E/DX2                !
 ! A8    A(2,3,7)              124.6801         estimate D2E/DX2                !
 ! A9    A(4,3,7)              118.0242         estimate D2E/DX2                !
 ! A10   A(3,4,5)              117.4216         estimate D2E/DX2                !
 ! A11   A(3,4,10)             120.9857         estimate D2E/DX2                !
 ! A12   A(5,4,10)             121.5821         estimate D2E/DX2                !
 ! A13   A(4,5,6)              123.0464         estimate D2E/DX2                !
 ! A14   A(4,5,89)             122.6015         estimate D2E/DX2                !
 ! A15   A(6,5,89)             114.3513         estimate D2E/DX2                !
 ! A16   A(1,6,5)              122.1636         estimate D2E/DX2                !
 ! A17   A(1,6,90)             123.3135         estimate D2E/DX2                !
 ! A18   A(5,6,90)             114.495          estimate D2E/DX2                !
 ! A19   A(3,7,8)              119.5466         estimate D2E/DX2                !
 ! A20   A(3,7,11)             122.5301         estimate D2E/DX2                !
 ! A21   A(8,7,11)             117.9165         estimate D2E/DX2                !
 ! A22   A(7,8,9)              123.1629         estimate D2E/DX2                !
 ! A23   A(7,8,14)             113.8365         estimate D2E/DX2                !
 ! A24   A(9,8,14)             122.8237         estimate D2E/DX2                !
 ! A25   A(8,9,10)             114.8368         estimate D2E/DX2                !
 ! A26   A(8,9,15)             127.5964         estimate D2E/DX2                !
 ! A27   A(8,9,143)            103.5419         estimate D2E/DX2                !
 ! A28   A(10,9,15)            117.5472         estimate D2E/DX2                !
 ! A29   A(10,9,143)            86.6252         estimate D2E/DX2                !
 ! A30   A(4,10,9)             122.6371         estimate D2E/DX2                !
 ! A31   A(4,10,18)            115.5243         estimate D2E/DX2                !
 ! A32   A(9,10,18)            121.7903         estimate D2E/DX2                !
 ! A33   A(7,11,12)            127.3941         estimate D2E/DX2                !
 ! A34   A(7,11,91)            117.7564         estimate D2E/DX2                !
 ! A35   A(12,11,91)           114.8429         estimate D2E/DX2                !
 ! A36   A(11,12,13)           111.9219         estimate D2E/DX2                !
 ! A37   A(11,12,24)           124.7804         estimate D2E/DX2                !
 ! A38   A(13,12,24)           123.2765         estimate D2E/DX2                !
 ! A39   A(12,13,14)           121.489          estimate D2E/DX2                !
 ! A40   A(12,13,92)           123.4287         estimate D2E/DX2                !
 ! A41   A(14,13,92)           115.0656         estimate D2E/DX2                !
 ! A42   A(8,14,13)            125.1659         estimate D2E/DX2                !
 ! A43   A(8,14,93)            121.1381         estimate D2E/DX2                !
 ! A44   A(13,14,93)           113.6626         estimate D2E/DX2                !
 ! A45   A(9,15,16)            117.9469         estimate D2E/DX2                !
 ! A46   A(9,15,81)            125.0554         estimate D2E/DX2                !
 ! A47   A(16,15,81)           116.3453         estimate D2E/DX2                !
 ! A48   A(16,15,143)           98.1676         estimate D2E/DX2                !
 ! A49   A(81,15,143)           88.6346         estimate D2E/DX2                !
 ! A50   A(15,16,17)           120.6089         estimate D2E/DX2                !
 ! A51   A(15,16,19)           126.2668         estimate D2E/DX2                !
 ! A52   A(17,16,19)           113.011          estimate D2E/DX2                !
 ! A53   A(16,17,18)           120.0007         estimate D2E/DX2                !
 ! A54   A(16,17,22)           122.9352         estimate D2E/DX2                !
 ! A55   A(18,17,22)           117.0639         estimate D2E/DX2                !
 ! A56   A(10,18,17)           121.09           estimate D2E/DX2                !
 ! A57   A(16,19,20)           123.7449         estimate D2E/DX2                !
 ! A58   A(16,19,94)           122.0351         estimate D2E/DX2                !
 ! A59   A(20,19,94)           114.2131         estimate D2E/DX2                !
 ! A60   A(19,20,21)           123.2607         estimate D2E/DX2                !
 ! A61   A(19,20,95)           114.2458         estimate D2E/DX2                !
 ! A62   A(21,20,95)           122.486          estimate D2E/DX2                !
 ! A63   A(20,21,22)           112.5875         estimate D2E/DX2                !
 ! A64   A(20,21,25)           123.6012         estimate D2E/DX2                !
 ! A65   A(22,21,25)           123.8082         estimate D2E/DX2                !
 ! A66   A(17,22,21)           123.9723         estimate D2E/DX2                !
 ! A67   A(17,22,96)           114.9527         estimate D2E/DX2                !
 ! A68   A(21,22,96)           121.075          estimate D2E/DX2                !
 ! A69   A(1,23,31)            123.7128         estimate D2E/DX2                !
 ! A70   A(1,23,35)            124.4848         estimate D2E/DX2                !
 ! A71   A(31,23,35)           111.7985         estimate D2E/DX2                !
 ! A72   A(12,24,26)           123.6524         estimate D2E/DX2                !
 ! A73   A(12,24,30)           124.3178         estimate D2E/DX2                !
 ! A74   A(26,24,30)           111.9977         estimate D2E/DX2                !
 ! A75   A(21,25,36)           123.8972         estimate D2E/DX2                !
 ! A76   A(21,25,40)           123.7956         estimate D2E/DX2                !
 ! A77   A(36,25,40)           112.2901         estimate D2E/DX2                !
 ! A78   A(24,26,27)           123.7089         estimate D2E/DX2                !
 ! A79   A(24,26,97)           122.197          estimate D2E/DX2                !
 ! A80   A(27,26,97)           114.0884         estimate D2E/DX2                !
 ! A81   A(26,27,28)           124.7694         estimate D2E/DX2                !
 ! A82   A(26,27,98)           113.8068         estimate D2E/DX2                !
 ! A83   A(28,27,98)           121.205          estimate D2E/DX2                !
 ! A84   A(27,28,29)           111.0761         estimate D2E/DX2                !
 ! A85   A(27,28,42)           124.497          estimate D2E/DX2                !
 ! A86   A(29,28,42)           124.4265         estimate D2E/DX2                !
 ! A87   A(28,29,30)           124.7062         estimate D2E/DX2                !
 ! A88   A(28,29,99)           121.2545         estimate D2E/DX2                !
 ! A89   A(30,29,99)           113.6652         estimate D2E/DX2                !
 ! A90   A(24,30,29)           123.7257         estimate D2E/DX2                !
 ! A91   A(24,30,100)          122.3786         estimate D2E/DX2                !
 ! A92   A(29,30,100)          113.8047         estimate D2E/DX2                !
 ! A93   A(23,31,32)           123.8656         estimate D2E/DX2                !
 ! A94   A(23,31,101)          122.2415         estimate D2E/DX2                !
 ! A95   A(32,31,101)          113.8646         estimate D2E/DX2                !
 ! A96   A(31,32,33)           124.7368         estimate D2E/DX2                !
 ! A97   A(31,32,102)          113.7657         estimate D2E/DX2                !
 ! A98   A(33,32,102)          121.2358         estimate D2E/DX2                !
 ! A99   A(32,33,34)           111.0083         estimate D2E/DX2                !
 ! A100  A(32,33,41)           124.5076         estimate D2E/DX2                !
 ! A101  A(34,33,41)           124.4842         estimate D2E/DX2                !
 ! A102  A(33,34,35)           124.7531         estimate D2E/DX2                !
 ! A103  A(33,34,103)          121.1838         estimate D2E/DX2                !
 ! A104  A(35,34,103)          113.7256         estimate D2E/DX2                !
 ! A105  A(23,35,34)           123.8274         estimate D2E/DX2                !
 ! A106  A(23,35,104)          122.46           estimate D2E/DX2                !
 ! A107  A(34,35,104)          113.6379         estimate D2E/DX2                !
 ! A108  A(25,36,37)           123.5616         estimate D2E/DX2                !
 ! A109  A(25,36,105)          122.0856         estimate D2E/DX2                !
 ! A110  A(37,36,105)          114.3357         estimate D2E/DX2                !
 ! A111  A(36,37,38)           124.6935         estimate D2E/DX2                !
 ! A112  A(36,37,106)          113.7321         estimate D2E/DX2                !
 ! A113  A(38,37,106)          121.3393         estimate D2E/DX2                !
 ! A114  A(37,38,39)           111.2048         estimate D2E/DX2                !
 ! A115  A(37,38,43)           124.5281         estimate D2E/DX2                !
 ! A116  A(39,38,43)           124.2668         estimate D2E/DX2                !
 ! A117  A(38,39,40)           124.6609         estimate D2E/DX2                !
 ! A118  A(38,39,107)          121.2889         estimate D2E/DX2                !
 ! A119  A(40,39,107)          113.6945         estimate D2E/DX2                !
 ! A120  A(25,40,39)           123.581          estimate D2E/DX2                !
 ! A121  A(25,40,108)          122.0949         estimate D2E/DX2                !
 ! A122  A(39,40,108)          114.2322         estimate D2E/DX2                !
 ! A123  A(33,41,48)           126.9533         estimate D2E/DX2                !
 ! A124  A(33,41,51)           126.7116         estimate D2E/DX2                !
 ! A125  A(48,41,51)           106.3346         estimate D2E/DX2                !
 ! A126  A(28,42,44)           126.6254         estimate D2E/DX2                !
 ! A127  A(28,42,47)           126.9179         estimate D2E/DX2                !
 ! A128  A(44,42,47)           106.4538         estimate D2E/DX2                !
 ! A129  A(38,43,52)           126.9326         estimate D2E/DX2                !
 ! A130  A(38,43,55)           126.6228         estimate D2E/DX2                !
 ! A131  A(52,43,55)           106.4433         estimate D2E/DX2                !
 ! A132  A(42,44,45)           110.8559         estimate D2E/DX2                !
 ! A133  A(42,44,60)           134.0805         estimate D2E/DX2                !
 ! A134  A(45,44,60)           114.8258         estimate D2E/DX2                !
 ! A135  A(44,45,46)           105.897          estimate D2E/DX2                !
 ! A136  A(44,45,63)           124.9557         estimate D2E/DX2                !
 ! A137  A(46,45,63)           129.1417         estimate D2E/DX2                !
 ! A138  A(45,46,47)           105.903          estimate D2E/DX2                !
 ! A139  A(45,46,56)           129.1933         estimate D2E/DX2                !
 ! A140  A(47,46,56)           124.9022         estimate D2E/DX2                !
 ! A141  A(42,47,46)           110.882          estimate D2E/DX2                !
 ! A142  A(42,47,59)           133.9622         estimate D2E/DX2                !
 ! A143  A(46,47,59)           114.9406         estimate D2E/DX2                !
 ! A144  A(41,48,49)           110.9429         estimate D2E/DX2                !
 ! A145  A(41,48,68)           134.0093         estimate D2E/DX2                !
 ! A146  A(49,48,68)           114.8337         estimate D2E/DX2                !
 ! A147  A(48,49,50)           105.8641         estimate D2E/DX2                !
 ! A148  A(48,49,71)           124.9801         estimate D2E/DX2                !
 ! A149  A(50,49,71)           129.1535         estimate D2E/DX2                !
 ! A150  A(49,50,51)           105.8819         estimate D2E/DX2                !
 ! A151  A(49,50,64)           129.1273         estimate D2E/DX2                !
 ! A152  A(51,50,64)           124.9868         estimate D2E/DX2                !
 ! A153  A(41,51,50)           110.9684         estimate D2E/DX2                !
 ! A154  A(41,51,67)           133.955          estimate D2E/DX2                !
 ! A155  A(50,51,67)           114.8428         estimate D2E/DX2                !
 ! A156  A(43,52,53)           110.8524         estimate D2E/DX2                !
 ! A157  A(43,52,76)           134.0765         estimate D2E/DX2                !
 ! A158  A(53,52,76)           114.8582         estimate D2E/DX2                !
 ! A159  A(52,53,54)           105.9071         estimate D2E/DX2                !
 ! A160  A(52,53,79)           124.946          estimate D2E/DX2                !
 ! A161  A(54,53,79)           129.1446         estimate D2E/DX2                !
 ! A162  A(53,54,55)           105.9062         estimate D2E/DX2                !
 ! A163  A(53,54,72)           129.1413         estimate D2E/DX2                !
 ! A164  A(55,54,72)           124.9479         estimate D2E/DX2                !
 ! A165  A(43,55,54)           110.8819         estimate D2E/DX2                !
 ! A166  A(43,55,75)           134.031          estimate D2E/DX2                !
 ! A167  A(54,55,75)           114.8478         estimate D2E/DX2                !
 ! A168  A(46,56,57)           118.2333         estimate D2E/DX2                !
 ! A169  A(46,56,109)          121.9994         estimate D2E/DX2                !
 ! A170  A(57,56,109)          119.7627         estimate D2E/DX2                !
 ! A171  A(56,57,58)           119.0194         estimate D2E/DX2                !
 ! A172  A(56,57,110)          120.4314         estimate D2E/DX2                !
 ! A173  A(58,57,110)          120.5015         estimate D2E/DX2                !
 ! A174  A(57,58,59)           121.0188         estimate D2E/DX2                !
 ! A175  A(57,58,111)          119.0266         estimate D2E/DX2                !
 ! A176  A(59,58,111)          119.9252         estimate D2E/DX2                !
 ! A177  A(47,59,58)           121.6717         estimate D2E/DX2                !
 ! A178  A(47,59,112)          123.7674         estimate D2E/DX2                !
 ! A179  A(58,59,112)          114.4837         estimate D2E/DX2                !
 ! A180  A(44,60,61)           121.7471         estimate D2E/DX2                !
 ! A181  A(44,60,113)          123.866          estimate D2E/DX2                !
 ! A182  A(61,60,113)          114.301          estimate D2E/DX2                !
 ! A183  A(60,61,62)           121.0264         estimate D2E/DX2                !
 ! A184  A(60,61,114)          119.9464         estimate D2E/DX2                !
 ! A185  A(62,61,114)          118.9927         estimate D2E/DX2                !
 ! A186  A(61,62,63)           118.9904         estimate D2E/DX2                !
 ! A187  A(61,62,115)          120.5009         estimate D2E/DX2                !
 ! A188  A(63,62,115)          120.4562         estimate D2E/DX2                !
 ! A189  A(45,63,62)           118.2513         estimate D2E/DX2                !
 ! A190  A(45,63,116)          122.0112         estimate D2E/DX2                !
 ! A191  A(62,63,116)          119.729          estimate D2E/DX2                !
 ! A192  A(50,64,65)           118.2171         estimate D2E/DX2                !
 ! A193  A(50,64,117)          122.0301         estimate D2E/DX2                !
 ! A194  A(65,64,117)          119.7465         estimate D2E/DX2                !
 ! A195  A(64,65,66)           118.9985         estimate D2E/DX2                !
 ! A196  A(64,65,118)          120.46           estimate D2E/DX2                !
 ! A197  A(66,65,118)          120.4911         estimate D2E/DX2                !
 ! A198  A(65,66,67)           121.0081         estimate D2E/DX2                !
 ! A199  A(65,66,119)          119.0411         estimate D2E/DX2                !
 ! A200  A(67,66,119)          119.9203         estimate D2E/DX2                !
 ! A201  A(51,67,66)           121.7337         estimate D2E/DX2                !
 ! A202  A(51,67,120)          123.9161         estimate D2E/DX2                !
 ! A203  A(66,67,120)          114.2678         estimate D2E/DX2                !
 ! A204  A(48,68,69)           121.7206         estimate D2E/DX2                !
 ! A205  A(48,68,121)          123.8329         estimate D2E/DX2                !
 ! A206  A(69,68,121)          114.3691         estimate D2E/DX2                !
 ! A207  A(68,69,70)           121.0519         estimate D2E/DX2                !
 ! A208  A(68,69,122)          119.8279         estimate D2E/DX2                !
 ! A209  A(70,69,122)          119.0928         estimate D2E/DX2                !
 ! A210  A(69,70,71)           118.997          estimate D2E/DX2                !
 ! A211  A(69,70,123)          120.5315         estimate D2E/DX2                !
 ! A212  A(71,70,123)          120.4252         estimate D2E/DX2                !
 ! A213  A(49,71,70)           118.213          estimate D2E/DX2                !
 ! A214  A(49,71,124)          121.9483         estimate D2E/DX2                !
 ! A215  A(70,71,124)          119.8338         estimate D2E/DX2                !
 ! A216  A(54,72,73)           118.2549         estimate D2E/DX2                !
 ! A217  A(54,72,125)          121.9695         estimate D2E/DX2                !
 ! A218  A(73,72,125)          119.7683         estimate D2E/DX2                !
 ! A219  A(72,73,74)           118.9968         estimate D2E/DX2                !
 ! A220  A(72,73,126)          120.4534         estimate D2E/DX2                !
 ! A221  A(74,73,126)          120.4937         estimate D2E/DX2                !
 ! A222  A(73,74,75)           120.9987         estimate D2E/DX2                !
 ! A223  A(73,74,127)          119.0251         estimate D2E/DX2                !
 ! A224  A(75,74,127)          119.9413         estimate D2E/DX2                !
 ! A225  A(55,75,74)           121.7343         estimate D2E/DX2                !
 ! A226  A(55,75,128)          123.8912         estimate D2E/DX2                !
 ! A227  A(74,75,128)          114.2896         estimate D2E/DX2                !
 ! A228  A(52,76,77)           121.7142         estimate D2E/DX2                !
 ! A229  A(52,76,129)          123.8353         estimate D2E/DX2                !
 ! A230  A(77,76,129)          114.3723         estimate D2E/DX2                !
 ! A231  A(76,77,78)           121.0406         estimate D2E/DX2                !
 ! A232  A(76,77,130)          119.9504         estimate D2E/DX2                !
 ! A233  A(78,77,130)          118.9773         estimate D2E/DX2                !
 ! A234  A(77,78,79)           118.9848         estimate D2E/DX2                !
 ! A235  A(77,78,131)          120.5197         estimate D2E/DX2                !
 ! A236  A(79,78,131)          120.4466         estimate D2E/DX2                !
 ! A237  A(53,79,78)           118.2529         estimate D2E/DX2                !
 ! A238  A(53,79,132)          122.0008         estimate D2E/DX2                !
 ! A239  A(78,79,132)          119.7408         estimate D2E/DX2                !
 ! A240  A(15,81,80)           117.7105         estimate D2E/DX2                !
 ! A241  A(15,81,82)           119.8415         estimate D2E/DX2                !
 ! A242  A(15,81,83)           110.86           estimate D2E/DX2                !
 ! A243  A(80,81,82)           103.1523         estimate D2E/DX2                !
 ! A244  A(80,81,83)           109.4347         estimate D2E/DX2                !
 ! A245  A(82,81,83)            92.8537         estimate D2E/DX2                !
 ! A246  A(81,82,84)           122.5976         estimate D2E/DX2                !
 ! A247  A(81,83,86)           120.0026         estimate D2E/DX2                !
 ! A248  A(82,84,85)           108.5845         estimate D2E/DX2                !
 ! A249  A(82,84,133)          109.6752         estimate D2E/DX2                !
 ! A250  A(82,84,134)          109.2273         estimate D2E/DX2                !
 ! A251  A(85,84,133)          109.1034         estimate D2E/DX2                !
 ! A252  A(85,84,134)          109.614          estimate D2E/DX2                !
 ! A253  A(133,84,134)         110.6048         estimate D2E/DX2                !
 ! A254  A(84,85,135)          110.8912         estimate D2E/DX2                !
 ! A255  A(84,85,136)          111.1958         estimate D2E/DX2                !
 ! A256  A(84,85,137)          111.0036         estimate D2E/DX2                !
 ! A257  A(135,85,136)         107.8391         estimate D2E/DX2                !
 ! A258  A(135,85,137)         107.846          estimate D2E/DX2                !
 ! A259  A(136,85,137)         107.9194         estimate D2E/DX2                !
 ! A260  A(83,86,87)           108.7124         estimate D2E/DX2                !
 ! A261  A(83,86,138)          109.5309         estimate D2E/DX2                !
 ! A262  A(83,86,139)          109.9407         estimate D2E/DX2                !
 ! A263  A(87,86,138)          109.8818         estimate D2E/DX2                !
 ! A264  A(87,86,139)          109.5133         estimate D2E/DX2                !
 ! A265  A(138,86,139)         109.2496         estimate D2E/DX2                !
 ! A266  A(86,87,140)          111.1926         estimate D2E/DX2                !
 ! A267  A(86,87,141)          110.9381         estimate D2E/DX2                !
 ! A268  A(86,87,142)          111.0464         estimate D2E/DX2                !
 ! A269  A(140,87,141)         107.8158         estimate D2E/DX2                !
 ! A270  A(140,87,142)         107.8842         estimate D2E/DX2                !
 ! A271  A(141,87,142)         107.8132         estimate D2E/DX2                !
 ! A272  A(84,133,143)         104.0145         estimate D2E/DX2                !
 ! A273  A(84,134,143)         100.5494         estimate D2E/DX2                !
 ! A274  A(9,143,133)           89.0198         estimate D2E/DX2                !
 ! A275  A(9,143,134)          101.9787         estimate D2E/DX2                !
 ! A276  A(15,143,133)          63.9041         estimate D2E/DX2                !
 ! A277  A(15,143,134)          79.0547         estimate D2E/DX2                !
 ! A278  A(133,143,134)         34.395          estimate D2E/DX2                !
 ! D1    D(6,1,2,3)             -0.7807         estimate D2E/DX2                !
 ! D2    D(6,1,2,88)          -179.0152         estimate D2E/DX2                !
 ! D3    D(23,1,2,3)           178.0199         estimate D2E/DX2                !
 ! D4    D(23,1,2,88)           -0.2146         estimate D2E/DX2                !
 ! D5    D(2,1,6,5)              1.5924         estimate D2E/DX2                !
 ! D6    D(2,1,6,90)           179.5627         estimate D2E/DX2                !
 ! D7    D(23,1,6,5)          -177.2328         estimate D2E/DX2                !
 ! D8    D(23,1,6,90)            0.7375         estimate D2E/DX2                !
 ! D9    D(2,1,23,31)          176.2159         estimate D2E/DX2                !
 ! D10   D(2,1,23,35)           -4.5562         estimate D2E/DX2                !
 ! D11   D(6,1,23,31)           -5.0957         estimate D2E/DX2                !
 ! D12   D(6,1,23,35)          174.1322         estimate D2E/DX2                !
 ! D13   D(1,2,3,4)             -1.0421         estimate D2E/DX2                !
 ! D14   D(1,2,3,7)           -177.5404         estimate D2E/DX2                !
 ! D15   D(88,2,3,4)           177.1513         estimate D2E/DX2                !
 ! D16   D(88,2,3,7)             0.653          estimate D2E/DX2                !
 ! D17   D(2,3,4,5)              2.0167         estimate D2E/DX2                !
 ! D18   D(2,3,4,10)          -179.1503         estimate D2E/DX2                !
 ! D19   D(7,3,4,5)            178.7549         estimate D2E/DX2                !
 ! D20   D(7,3,4,10)            -2.4122         estimate D2E/DX2                !
 ! D21   D(2,3,7,8)            173.5333         estimate D2E/DX2                !
 ! D22   D(2,3,7,11)            -7.4406         estimate D2E/DX2                !
 ! D23   D(4,3,7,8)             -2.9388         estimate D2E/DX2                !
 ! D24   D(4,3,7,11)           176.0874         estimate D2E/DX2                !
 ! D25   D(3,4,5,6)             -1.2995         estimate D2E/DX2                !
 ! D26   D(3,4,5,89)           179.0578         estimate D2E/DX2                !
 ! D27   D(10,4,5,6)           179.875          estimate D2E/DX2                !
 ! D28   D(10,4,5,89)            0.2323         estimate D2E/DX2                !
 ! D29   D(3,4,10,9)             1.3472         estimate D2E/DX2                !
 ! D30   D(3,4,10,18)          178.859          estimate D2E/DX2                !
 ! D31   D(5,4,10,9)          -179.8688         estimate D2E/DX2                !
 ! D32   D(5,4,10,18)           -2.3571         estimate D2E/DX2                !
 ! D33   D(4,5,6,1)             -0.6333         estimate D2E/DX2                !
 ! D34   D(4,5,6,90)          -178.7695         estimate D2E/DX2                !
 ! D35   D(89,5,6,1)           179.0362         estimate D2E/DX2                !
 ! D36   D(89,5,6,90)            0.9001         estimate D2E/DX2                !
 ! D37   D(3,7,8,9)              9.8724         estimate D2E/DX2                !
 ! D38   D(3,7,8,14)          -165.4121         estimate D2E/DX2                !
 ! D39   D(11,7,8,9)          -169.1984         estimate D2E/DX2                !
 ! D40   D(11,7,8,14)           15.5171         estimate D2E/DX2                !
 ! D41   D(3,7,11,12)          174.6516         estimate D2E/DX2                !
 ! D42   D(3,7,11,91)           -6.3354         estimate D2E/DX2                !
 ! D43   D(8,7,11,12)           -6.3072         estimate D2E/DX2                !
 ! D44   D(8,7,11,91)          172.7058         estimate D2E/DX2                !
 ! D45   D(7,8,9,10)           -10.5269         estimate D2E/DX2                !
 ! D46   D(7,8,9,15)           167.8054         estimate D2E/DX2                !
 ! D47   D(7,8,9,143)           82.0382         estimate D2E/DX2                !
 ! D48   D(14,8,9,10)          164.3392         estimate D2E/DX2                !
 ! D49   D(14,8,9,15)          -17.3285         estimate D2E/DX2                !
 ! D50   D(14,8,9,143)        -103.0956         estimate D2E/DX2                !
 ! D51   D(7,8,14,13)          -13.976          estimate D2E/DX2                !
 ! D52   D(7,8,14,93)          163.7873         estimate D2E/DX2                !
 ! D53   D(9,8,14,13)          170.7214         estimate D2E/DX2                !
 ! D54   D(9,8,14,93)          -11.5153         estimate D2E/DX2                !
 ! D55   D(8,9,10,4)             4.8864         estimate D2E/DX2                !
 ! D56   D(8,9,10,18)         -172.4718         estimate D2E/DX2                !
 ! D57   D(15,9,10,4)         -173.6234         estimate D2E/DX2                !
 ! D58   D(15,9,10,18)           9.0184         estimate D2E/DX2                !
 ! D59   D(143,9,10,4)         -98.4799         estimate D2E/DX2                !
 ! D60   D(143,9,10,18)         84.1619         estimate D2E/DX2                !
 ! D61   D(8,9,15,16)          169.6484         estimate D2E/DX2                !
 ! D62   D(8,9,15,81)          -19.9741         estimate D2E/DX2                !
 ! D63   D(10,9,15,16)         -12.0585         estimate D2E/DX2                !
 ! D64   D(10,9,15,81)         158.3189         estimate D2E/DX2                !
 ! D65   D(8,9,143,133)        132.899          estimate D2E/DX2                !
 ! D66   D(8,9,143,134)        100.8165         estimate D2E/DX2                !
 ! D67   D(10,9,143,133)      -112.3552         estimate D2E/DX2                !
 ! D68   D(10,9,143,134)      -144.4377         estimate D2E/DX2                !
 ! D69   D(4,10,18,17)         179.9652         estimate D2E/DX2                !
 ! D70   D(9,10,18,17)          -2.4999         estimate D2E/DX2                !
 ! D71   D(7,11,12,13)          -6.203          estimate D2E/DX2                !
 ! D72   D(7,11,12,24)         175.4304         estimate D2E/DX2                !
 ! D73   D(91,11,12,13)        174.7595         estimate D2E/DX2                !
 ! D74   D(91,11,12,24)         -3.6071         estimate D2E/DX2                !
 ! D75   D(11,12,13,14)          8.5306         estimate D2E/DX2                !
 ! D76   D(11,12,13,92)       -173.0274         estimate D2E/DX2                !
 ! D77   D(24,12,13,14)       -173.0742         estimate D2E/DX2                !
 ! D78   D(24,12,13,92)          5.3679         estimate D2E/DX2                !
 ! D79   D(11,12,24,26)        177.5223         estimate D2E/DX2                !
 ! D80   D(11,12,24,30)         -4.7083         estimate D2E/DX2                !
 ! D81   D(13,12,24,26)         -0.6651         estimate D2E/DX2                !
 ! D82   D(13,12,24,30)        177.1042         estimate D2E/DX2                !
 ! D83   D(12,13,14,8)           1.4321         estimate D2E/DX2                !
 ! D84   D(12,13,14,93)       -176.4777         estimate D2E/DX2                !
 ! D85   D(92,13,14,8)        -177.1325         estimate D2E/DX2                !
 ! D86   D(92,13,14,93)          4.9576         estimate D2E/DX2                !
 ! D87   D(9,15,16,17)           9.3381         estimate D2E/DX2                !
 ! D88   D(9,15,16,19)        -166.5108         estimate D2E/DX2                !
 ! D89   D(81,15,16,17)       -161.8789         estimate D2E/DX2                !
 ! D90   D(81,15,16,19)         22.2723         estimate D2E/DX2                !
 ! D91   D(143,15,16,17)       -69.3449         estimate D2E/DX2                !
 ! D92   D(143,15,16,19)       114.8063         estimate D2E/DX2                !
 ! D93   D(9,15,81,80)         -21.8924         estimate D2E/DX2                !
 ! D94   D(9,15,81,82)        -148.5921         estimate D2E/DX2                !
 ! D95   D(9,15,81,83)         105.1462         estimate D2E/DX2                !
 ! D96   D(16,15,81,80)        148.6233         estimate D2E/DX2                !
 ! D97   D(16,15,81,82)         21.9235         estimate D2E/DX2                !
 ! D98   D(16,15,81,83)        -84.3382         estimate D2E/DX2                !
 ! D99   D(143,15,81,80)        50.1831         estimate D2E/DX2                !
 ! D100  D(143,15,81,82)       -76.5166         estimate D2E/DX2                !
 ! D101  D(143,15,81,83)       177.2217         estimate D2E/DX2                !
 ! D102  D(16,15,143,133)      -55.7063         estimate D2E/DX2                !
 ! D103  D(16,15,143,134)      -88.4467         estimate D2E/DX2                !
 ! D104  D(81,15,143,133)       60.7192         estimate D2E/DX2                !
 ! D105  D(81,15,143,134)       27.9788         estimate D2E/DX2                !
 ! D106  D(15,16,17,18)         -2.8266         estimate D2E/DX2                !
 ! D107  D(15,16,17,22)        177.0513         estimate D2E/DX2                !
 ! D108  D(19,16,17,18)        173.5378         estimate D2E/DX2                !
 ! D109  D(19,16,17,22)         -6.5843         estimate D2E/DX2                !
 ! D110  D(15,16,19,20)       -177.3876         estimate D2E/DX2                !
 ! D111  D(15,16,19,94)          3.6258         estimate D2E/DX2                !
 ! D112  D(17,16,19,20)          6.4936         estimate D2E/DX2                !
 ! D113  D(17,16,19,94)       -172.493          estimate D2E/DX2                !
 ! D114  D(16,17,18,10)         -0.7116         estimate D2E/DX2                !
 ! D115  D(22,17,18,10)        179.4035         estimate D2E/DX2                !
 ! D116  D(16,17,22,21)          1.3977         estimate D2E/DX2                !
 ! D117  D(16,17,22,96)       -178.6372         estimate D2E/DX2                !
 ! D118  D(18,17,22,21)       -178.721          estimate D2E/DX2                !
 ! D119  D(18,17,22,96)          1.244          estimate D2E/DX2                !
 ! D120  D(16,19,20,21)         -1.112          estimate D2E/DX2                !
 ! D121  D(16,19,20,95)        177.9096         estimate D2E/DX2                !
 ! D122  D(94,19,20,21)        177.9461         estimate D2E/DX2                !
 ! D123  D(94,19,20,95)         -3.0323         estimate D2E/DX2                !
 ! D124  D(19,20,21,22)         -4.2927         estimate D2E/DX2                !
 ! D125  D(19,20,21,25)        176.3377         estimate D2E/DX2                !
 ! D126  D(95,20,21,22)        176.7649         estimate D2E/DX2                !
 ! D127  D(95,20,21,25)         -2.6046         estimate D2E/DX2                !
 ! D128  D(20,21,22,17)          4.1758         estimate D2E/DX2                !
 ! D129  D(20,21,22,96)       -175.7872         estimate D2E/DX2                !
 ! D130  D(25,21,22,17)       -176.4562         estimate D2E/DX2                !
 ! D131  D(25,21,22,96)          3.5808         estimate D2E/DX2                !
 ! D132  D(20,21,25,36)          3.2874         estimate D2E/DX2                !
 ! D133  D(20,21,25,40)       -175.0884         estimate D2E/DX2                !
 ! D134  D(22,21,25,36)       -176.012          estimate D2E/DX2                !
 ! D135  D(22,21,25,40)          5.6122         estimate D2E/DX2                !
 ! D136  D(1,23,31,32)         178.3009         estimate D2E/DX2                !
 ! D137  D(1,23,31,101)         -3.7533         estimate D2E/DX2                !
 ! D138  D(35,23,31,32)         -1.0137         estimate D2E/DX2                !
 ! D139  D(35,23,31,101)       176.9322         estimate D2E/DX2                !
 ! D140  D(1,23,35,34)        -178.6058         estimate D2E/DX2                !
 ! D141  D(1,23,35,104)         -1.9514         estimate D2E/DX2                !
 ! D142  D(31,23,35,34)          0.7025         estimate D2E/DX2                !
 ! D143  D(31,23,35,104)       177.3569         estimate D2E/DX2                !
 ! D144  D(12,24,26,27)        176.8985         estimate D2E/DX2                !
 ! D145  D(12,24,26,97)         -4.0225         estimate D2E/DX2                !
 ! D146  D(30,24,26,27)         -1.1146         estimate D2E/DX2                !
 ! D147  D(30,24,26,97)        177.9644         estimate D2E/DX2                !
 ! D148  D(12,24,30,29)       -177.2572         estimate D2E/DX2                !
 ! D149  D(12,24,30,100)        -0.9435         estimate D2E/DX2                !
 ! D150  D(26,24,30,29)          0.7403         estimate D2E/DX2                !
 ! D151  D(26,24,30,100)       177.054          estimate D2E/DX2                !
 ! D152  D(21,25,36,37)       -177.7217         estimate D2E/DX2                !
 ! D153  D(21,25,36,105)         3.8723         estimate D2E/DX2                !
 ! D154  D(40,25,36,37)          0.8195         estimate D2E/DX2                !
 ! D155  D(40,25,36,105)      -177.5865         estimate D2E/DX2                !
 ! D156  D(21,25,40,39)        177.9368         estimate D2E/DX2                !
 ! D157  D(21,25,40,108)         1.6267         estimate D2E/DX2                !
 ! D158  D(36,25,40,39)         -0.6062         estimate D2E/DX2                !
 ! D159  D(36,25,40,108)      -176.9162         estimate D2E/DX2                !
 ! D160  D(24,26,27,28)          0.3762         estimate D2E/DX2                !
 ! D161  D(24,26,27,98)        175.0367         estimate D2E/DX2                !
 ! D162  D(97,26,27,28)       -178.77           estimate D2E/DX2                !
 ! D163  D(97,26,27,98)         -4.1096         estimate D2E/DX2                !
 ! D164  D(26,27,28,29)          0.7697         estimate D2E/DX2                !
 ! D165  D(26,27,28,42)       -179.0205         estimate D2E/DX2                !
 ! D166  D(98,27,28,29)       -173.5175         estimate D2E/DX2                !
 ! D167  D(98,27,28,42)          6.6923         estimate D2E/DX2                !
 ! D168  D(27,28,29,30)         -1.1503         estimate D2E/DX2                !
 ! D169  D(27,28,29,99)       -173.6763         estimate D2E/DX2                !
 ! D170  D(42,28,29,30)        178.64           estimate D2E/DX2                !
 ! D171  D(42,28,29,99)          6.1141         estimate D2E/DX2                !
 ! D172  D(27,28,42,44)         24.4043         estimate D2E/DX2                !
 ! D173  D(27,28,42,47)       -156.2986         estimate D2E/DX2                !
 ! D174  D(29,28,42,44)       -155.3583         estimate D2E/DX2                !
 ! D175  D(29,28,42,47)         23.9388         estimate D2E/DX2                !
 ! D176  D(28,29,30,24)          0.4253         estimate D2E/DX2                !
 ! D177  D(28,29,30,100)      -176.1724         estimate D2E/DX2                !
 ! D178  D(99,29,30,24)        173.4519         estimate D2E/DX2                !
 ! D179  D(99,29,30,100)        -3.1458         estimate D2E/DX2                !
 ! D180  D(23,31,32,33)          0.4577         estimate D2E/DX2                !
 ! D181  D(23,31,32,102)       174.6204         estimate D2E/DX2                !
 ! D182  D(101,31,32,33)      -177.6426         estimate D2E/DX2                !
 ! D183  D(101,31,32,102)       -3.4798         estimate D2E/DX2                !
 ! D184  D(31,32,33,34)          0.4712         estimate D2E/DX2                !
 ! D185  D(31,32,33,41)       -179.4787         estimate D2E/DX2                !
 ! D186  D(102,32,33,34)      -173.2793         estimate D2E/DX2                !
 ! D187  D(102,32,33,41)         6.7708         estimate D2E/DX2                !
 ! D188  D(32,33,34,35)         -0.7871         estimate D2E/DX2                !
 ! D189  D(32,33,34,103)      -173.6905         estimate D2E/DX2                !
 ! D190  D(41,33,34,35)        179.1628         estimate D2E/DX2                !
 ! D191  D(41,33,34,103)         6.2594         estimate D2E/DX2                !
 ! D192  D(32,33,41,48)       -156.1697         estimate D2E/DX2                !
 ! D193  D(32,33,41,51)         24.115          estimate D2E/DX2                !
 ! D194  D(34,33,41,48)         23.887          estimate D2E/DX2                !
 ! D195  D(34,33,41,51)       -155.8283         estimate D2E/DX2                !
 ! D196  D(33,34,35,23)          0.208          estimate D2E/DX2                !
 ! D197  D(33,34,35,104)      -176.7108         estimate D2E/DX2                !
 ! D198  D(103,34,35,23)       173.5785         estimate D2E/DX2                !
 ! D199  D(103,34,35,104)       -3.3403         estimate D2E/DX2                !
 ! D200  D(25,36,37,38)         -0.2542         estimate D2E/DX2                !
 ! D201  D(25,36,37,106)      -174.7249         estimate D2E/DX2                !
 ! D202  D(105,36,37,38)       178.2637         estimate D2E/DX2                !
 ! D203  D(105,36,37,106)        3.7929         estimate D2E/DX2                !
 ! D204  D(36,37,38,39)         -0.5486         estimate D2E/DX2                !
 ! D205  D(36,37,38,43)        179.26           estimate D2E/DX2                !
 ! D206  D(106,37,38,39)       173.5237         estimate D2E/DX2                !
 ! D207  D(106,37,38,43)        -6.6677         estimate D2E/DX2                !
 ! D208  D(37,38,39,40)          0.766          estimate D2E/DX2                !
 ! D209  D(37,38,39,107)       173.4791         estimate D2E/DX2                !
 ! D210  D(43,38,39,40)       -179.0432         estimate D2E/DX2                !
 ! D211  D(43,38,39,107)        -6.33           estimate D2E/DX2                !
 ! D212  D(37,38,43,52)        156.3099         estimate D2E/DX2                !
 ! D213  D(37,38,43,55)        -24.1544         estimate D2E/DX2                !
 ! D214  D(39,38,43,52)        -23.9061         estimate D2E/DX2                !
 ! D215  D(39,38,43,55)        155.6296         estimate D2E/DX2                !
 ! D216  D(38,39,40,25)         -0.2025         estimate D2E/DX2                !
 ! D217  D(38,39,40,108)       176.3698         estimate D2E/DX2                !
 ! D218  D(107,39,40,25)      -173.4046         estimate D2E/DX2                !
 ! D219  D(107,39,40,108)        3.1677         estimate D2E/DX2                !
 ! D220  D(33,41,48,49)       -179.496          estimate D2E/DX2                !
 ! D221  D(33,41,48,68)          6.2614         estimate D2E/DX2                !
 ! D222  D(51,41,48,49)          0.2662         estimate D2E/DX2                !
 ! D223  D(51,41,48,68)       -173.9764         estimate D2E/DX2                !
 ! D224  D(33,41,51,50)       -179.9053         estimate D2E/DX2                !
 ! D225  D(33,41,51,67)          6.1079         estimate D2E/DX2                !
 ! D226  D(48,41,51,50)          0.3318         estimate D2E/DX2                !
 ! D227  D(48,41,51,67)       -173.655          estimate D2E/DX2                !
 ! D228  D(28,42,44,45)        179.7717         estimate D2E/DX2                !
 ! D229  D(28,42,44,60)          5.8421         estimate D2E/DX2                !
 ! D230  D(47,42,44,45)          0.3577         estimate D2E/DX2                !
 ! D231  D(47,42,44,60)       -173.572          estimate D2E/DX2                !
 ! D232  D(28,42,47,46)       -179.1677         estimate D2E/DX2                !
 ! D233  D(28,42,47,59)          6.5983         estimate D2E/DX2                !
 ! D234  D(44,42,47,46)          0.2442         estimate D2E/DX2                !
 ! D235  D(44,42,47,59)       -173.9899         estimate D2E/DX2                !
 ! D236  D(38,43,52,53)        179.3508         estimate D2E/DX2                !
 ! D237  D(38,43,52,76)         -6.3915         estimate D2E/DX2                !
 ! D238  D(55,43,52,53)         -0.2607         estimate D2E/DX2                !
 ! D239  D(55,43,52,76)        173.997          estimate D2E/DX2                !
 ! D240  D(38,43,55,54)       -179.9792         estimate D2E/DX2                !
 ! D241  D(38,43,55,75)         -6.0649         estimate D2E/DX2                !
 ! D242  D(52,43,55,54)         -0.3662         estimate D2E/DX2                !
 ! D243  D(52,43,55,75)        173.5482         estimate D2E/DX2                !
 ! D244  D(42,44,45,46)         -0.8127         estimate D2E/DX2                !
 ! D245  D(42,44,45,63)        179.98           estimate D2E/DX2                !
 ! D246  D(60,44,45,46)        174.3859         estimate D2E/DX2                !
 ! D247  D(60,44,45,63)         -4.8213         estimate D2E/DX2                !
 ! D248  D(42,44,60,61)        178.6067         estimate D2E/DX2                !
 ! D249  D(42,44,60,113)         2.1724         estimate D2E/DX2                !
 ! D250  D(45,44,60,61)          4.8576         estimate D2E/DX2                !
 ! D251  D(45,44,60,113)      -171.5767         estimate D2E/DX2                !
 ! D252  D(44,45,46,47)          0.9081         estimate D2E/DX2                !
 ! D253  D(44,45,46,56)       -179.5389         estimate D2E/DX2                !
 ! D254  D(63,45,46,47)       -179.9296         estimate D2E/DX2                !
 ! D255  D(63,45,46,56)         -0.3766         estimate D2E/DX2                !
 ! D256  D(44,45,63,62)          1.661          estimate D2E/DX2                !
 ! D257  D(44,45,63,116)      -179.4016         estimate D2E/DX2                !
 ! D258  D(46,45,63,62)       -177.3559         estimate D2E/DX2                !
 ! D259  D(46,45,63,116)         1.5814         estimate D2E/DX2                !
 ! D260  D(45,46,47,42)         -0.7422         estimate D2E/DX2                !
 ! D261  D(45,46,47,59)        174.6835         estimate D2E/DX2                !
 ! D262  D(56,46,47,42)        179.6802         estimate D2E/DX2                !
 ! D263  D(56,46,47,59)         -4.8941         estimate D2E/DX2                !
 ! D264  D(45,46,56,57)       -177.8815         estimate D2E/DX2                !
 ! D265  D(45,46,56,109)         1.3394         estimate D2E/DX2                !
 ! D266  D(47,46,56,57)          1.5943         estimate D2E/DX2                !
 ! D267  D(47,46,56,109)      -179.1848         estimate D2E/DX2                !
 ! D268  D(42,47,59,58)        179.0458         estimate D2E/DX2                !
 ! D269  D(42,47,59,112)         2.4166         estimate D2E/DX2                !
 ! D270  D(46,47,59,58)          4.9877         estimate D2E/DX2                !
 ! D271  D(46,47,59,112)      -171.6415         estimate D2E/DX2                !
 ! D272  D(41,48,49,50)         -0.7518         estimate D2E/DX2                !
 ! D273  D(41,48,49,71)        179.7585         estimate D2E/DX2                !
 ! D274  D(68,48,49,50)        174.6882         estimate D2E/DX2                !
 ! D275  D(68,48,49,71)         -4.8014         estimate D2E/DX2                !
 ! D276  D(41,48,68,69)        178.9117         estimate D2E/DX2                !
 ! D277  D(41,48,68,121)         2.2908         estimate D2E/DX2                !
 ! D278  D(49,48,68,69)          4.8371         estimate D2E/DX2                !
 ! D279  D(49,48,68,121)      -171.7837         estimate D2E/DX2                !
 ! D280  D(48,49,50,51)          0.9012         estimate D2E/DX2                !
 ! D281  D(48,49,50,64)       -179.8174         estimate D2E/DX2                !
 ! D282  D(71,49,50,51)       -179.6381         estimate D2E/DX2                !
 ! D283  D(71,49,50,64)         -0.3566         estimate D2E/DX2                !
 ! D284  D(48,49,71,70)          1.6085         estimate D2E/DX2                !
 ! D285  D(48,49,71,124)      -179.2037         estimate D2E/DX2                !
 ! D286  D(50,49,71,70)       -177.7584         estimate D2E/DX2                !
 ! D287  D(50,49,71,124)         1.4294         estimate D2E/DX2                !
 ! D288  D(49,50,51,41)         -0.793          estimate D2E/DX2                !
 ! D289  D(49,50,51,67)        174.44           estimate D2E/DX2                !
 ! D290  D(64,50,51,41)        179.8874         estimate D2E/DX2                !
 ! D291  D(64,50,51,67)         -4.8796         estimate D2E/DX2                !
 ! D292  D(49,50,64,65)       -177.5706         estimate D2E/DX2                !
 ! D293  D(49,50,64,117)         1.5185         estimate D2E/DX2                !
 ! D294  D(51,50,64,65)          1.5858         estimate D2E/DX2                !
 ! D295  D(51,50,64,117)      -179.325          estimate D2E/DX2                !
 ! D296  D(41,51,67,66)        178.7604         estimate D2E/DX2                !
 ! D297  D(41,51,67,120)         2.2512         estimate D2E/DX2                !
 ! D298  D(50,51,67,66)          4.9486         estimate D2E/DX2                !
 ! D299  D(50,51,67,120)      -171.5606         estimate D2E/DX2                !
 ! D300  D(43,52,53,54)          0.7771         estimate D2E/DX2                !
 ! D301  D(43,52,53,79)       -179.7349         estimate D2E/DX2                !
 ! D302  D(76,52,53,54)       -174.6792         estimate D2E/DX2                !
 ! D303  D(76,52,53,79)          4.8088         estimate D2E/DX2                !
 ! D304  D(43,52,76,77)       -178.9425         estimate D2E/DX2                !
 ! D305  D(43,52,76,129)        -2.3407         estimate D2E/DX2                !
 ! D306  D(53,52,76,77)         -4.8572         estimate D2E/DX2                !
 ! D307  D(53,52,76,129)       171.7446         estimate D2E/DX2                !
 ! D308  D(52,53,54,55)         -0.9462         estimate D2E/DX2                !
 ! D309  D(52,53,54,72)        179.8147         estimate D2E/DX2                !
 ! D310  D(79,53,54,55)        179.595          estimate D2E/DX2                !
 ! D311  D(79,53,54,72)          0.3559         estimate D2E/DX2                !
 ! D312  D(52,53,79,78)         -1.6321         estimate D2E/DX2                !
 ! D313  D(52,53,79,132)       179.2203         estimate D2E/DX2                !
 ! D314  D(54,53,79,78)        177.733          estimate D2E/DX2                !
 ! D315  D(54,53,79,132)        -1.4146         estimate D2E/DX2                !
 ! D316  D(53,54,55,43)          0.8429         estimate D2E/DX2                !
 ! D317  D(53,54,55,75)       -174.3388         estimate D2E/DX2                !
 ! D318  D(72,54,55,43)       -179.8771         estimate D2E/DX2                !
 ! D319  D(72,54,55,75)          4.9412         estimate D2E/DX2                !
 ! D320  D(53,54,72,73)        177.5186         estimate D2E/DX2                !
 ! D321  D(53,54,72,125)        -1.4893         estimate D2E/DX2                !
 ! D322  D(55,54,72,73)         -1.5886         estimate D2E/DX2                !
 ! D323  D(55,54,72,125)       179.4035         estimate D2E/DX2                !
 ! D324  D(43,55,75,74)       -178.7938         estimate D2E/DX2                !
 ! D325  D(43,55,75,128)        -2.3372         estimate D2E/DX2                !
 ! D326  D(54,55,75,74)         -5.0604         estimate D2E/DX2                !
 ! D327  D(54,55,75,128)       171.3961         estimate D2E/DX2                !
 ! D328  D(46,56,57,58)          1.7894         estimate D2E/DX2                !
 ! D329  D(46,56,57,110)       179.2888         estimate D2E/DX2                !
 ! D330  D(109,56,57,58)      -177.4495         estimate D2E/DX2                !
 ! D331  D(109,56,57,110)        0.0499         estimate D2E/DX2                !
 ! D332  D(56,57,58,59)         -1.5795         estimate D2E/DX2                !
 ! D333  D(56,57,58,111)       176.4497         estimate D2E/DX2                !
 ! D334  D(110,57,58,59)      -179.0772         estimate D2E/DX2                !
 ! D335  D(110,57,58,111)       -1.0479         estimate D2E/DX2                !
 ! D336  D(57,58,59,47)         -2.0066         estimate D2E/DX2                !
 ! D337  D(57,58,59,112)       174.9147         estimate D2E/DX2                !
 ! D338  D(111,58,59,47)       179.9817         estimate D2E/DX2                !
 ! D339  D(111,58,59,112)       -3.097          estimate D2E/DX2                !
 ! D340  D(44,60,61,62)         -1.9542         estimate D2E/DX2                !
 ! D341  D(44,60,61,114)      -179.7956         estimate D2E/DX2                !
 ! D342  D(113,60,61,62)       174.7975         estimate D2E/DX2                !
 ! D343  D(113,60,61,114)       -3.0439         estimate D2E/DX2                !
 ! D344  D(60,61,62,63)         -1.4933         estimate D2E/DX2                !
 ! D345  D(60,61,62,115)      -178.8697         estimate D2E/DX2                !
 ! D346  D(114,61,62,63)       176.3683         estimate D2E/DX2                !
 ! D347  D(114,61,62,115)       -1.0081         estimate D2E/DX2                !
 ! D348  D(61,62,63,45)          1.6481         estimate D2E/DX2                !
 ! D349  D(61,62,63,116)      -177.3143         estimate D2E/DX2                !
 ! D350  D(115,62,63,45)       179.0257         estimate D2E/DX2                !
 ! D351  D(115,62,63,116)        0.0633         estimate D2E/DX2                !
 ! D352  D(50,64,65,66)          1.8208         estimate D2E/DX2                !
 ! D353  D(50,64,65,118)       179.2511         estimate D2E/DX2                !
 ! D354  D(117,64,65,66)      -177.2898         estimate D2E/DX2                !
 ! D355  D(117,64,65,118)        0.1405         estimate D2E/DX2                !
 ! D356  D(64,65,66,67)         -1.6351         estimate D2E/DX2                !
 ! D357  D(64,65,66,119)       176.3562         estimate D2E/DX2                !
 ! D358  D(118,65,66,67)      -179.0646         estimate D2E/DX2                !
 ! D359  D(118,65,66,119)       -1.0733         estimate D2E/DX2                !
 ! D360  D(65,66,67,51)         -1.9488         estimate D2E/DX2                !
 ! D361  D(65,66,67,120)       174.8738         estimate D2E/DX2                !
 ! D362  D(119,66,67,51)      -179.9226         estimate D2E/DX2                !
 ! D363  D(119,66,67,120)       -3.1            estimate D2E/DX2                !
 ! D364  D(48,68,69,70)         -1.9025         estimate D2E/DX2                !
 ! D365  D(48,68,69,122)      -179.9801         estimate D2E/DX2                !
 ! D366  D(121,68,69,70)       175.0164         estimate D2E/DX2                !
 ! D367  D(121,68,69,122)       -3.0613         estimate D2E/DX2                !
 ! D368  D(68,69,70,71)         -1.5753         estimate D2E/DX2                !
 ! D369  D(68,69,70,123)      -179.1111         estimate D2E/DX2                !
 ! D370  D(122,69,70,71)       176.5163         estimate D2E/DX2                !
 ! D371  D(122,69,70,123)       -1.0196         estimate D2E/DX2                !
 ! D372  D(69,70,71,49)          1.7281         estimate D2E/DX2                !
 ! D373  D(69,70,71,124)      -177.4774         estimate D2E/DX2                !
 ! D374  D(123,70,71,49)       179.2666         estimate D2E/DX2                !
 ! D375  D(123,70,71,124)        0.0611         estimate D2E/DX2                !
 ! D376  D(54,72,73,74)         -1.8314         estimate D2E/DX2                !
 ! D377  D(54,72,73,126)      -179.1206         estimate D2E/DX2                !
 ! D378  D(125,72,73,74)       177.199          estimate D2E/DX2                !
 ! D379  D(125,72,73,126)       -0.0902         estimate D2E/DX2                !
 ! D380  D(72,73,74,75)          1.5962         estimate D2E/DX2                !
 ! D381  D(72,73,74,127)      -176.2525         estimate D2E/DX2                !
 ! D382  D(126,73,74,75)       178.8843         estimate D2E/DX2                !
 ! D383  D(126,73,74,127)        1.0356         estimate D2E/DX2                !
 ! D384  D(73,74,75,55)          2.0529         estimate D2E/DX2                !
 ! D385  D(73,74,75,128)      -174.7203         estimate D2E/DX2                !
 ! D386  D(127,74,75,55)       179.8821         estimate D2E/DX2                !
 ! D387  D(127,74,75,128)        3.1088         estimate D2E/DX2                !
 ! D388  D(52,76,77,78)          1.9508         estimate D2E/DX2                !
 ! D389  D(52,76,77,130)       179.8838         estimate D2E/DX2                !
 ! D390  D(129,76,77,78)      -174.9506         estimate D2E/DX2                !
 ! D391  D(129,76,77,130)        2.9824         estimate D2E/DX2                !
 ! D392  D(76,77,78,79)          1.5101         estimate D2E/DX2                !
 ! D393  D(76,77,78,131)       178.9789         estimate D2E/DX2                !
 ! D394  D(130,77,78,79)      -176.4427         estimate D2E/DX2                !
 ! D395  D(130,77,78,131)        1.0262         estimate D2E/DX2                !
 ! D396  D(77,78,79,53)         -1.6764         estimate D2E/DX2                !
 ! D397  D(77,78,79,132)       177.4911         estimate D2E/DX2                !
 ! D398  D(131,78,79,53)      -179.1471         estimate D2E/DX2                !
 ! D399  D(131,78,79,132)        0.0203         estimate D2E/DX2                !
 ! D400  D(15,81,82,84)         58.8602         estimate D2E/DX2                !
 ! D401  D(80,81,82,84)        -74.342          estimate D2E/DX2                !
 ! D402  D(83,81,82,84)        174.94           estimate D2E/DX2                !
 ! D403  D(15,81,83,86)       -150.0133         estimate D2E/DX2                !
 ! D404  D(80,81,83,86)        -18.5499         estimate D2E/DX2                !
 ! D405  D(82,81,83,86)         86.4713         estimate D2E/DX2                !
 ! D406  D(81,82,84,85)       -178.7589         estimate D2E/DX2                !
 ! D407  D(81,82,84,133)       -59.621          estimate D2E/DX2                !
 ! D408  D(81,82,84,134)        61.7466         estimate D2E/DX2                !
 ! D409  D(81,83,86,87)       -179.751          estimate D2E/DX2                !
 ! D410  D(81,83,86,138)       -59.6759         estimate D2E/DX2                !
 ! D411  D(81,83,86,139)        60.3781         estimate D2E/DX2                !
 ! D412  D(82,84,85,135)      -179.7897         estimate D2E/DX2                !
 ! D413  D(82,84,85,136)       -59.8092         estimate D2E/DX2                !
 ! D414  D(82,84,85,137)        60.3482         estimate D2E/DX2                !
 ! D415  D(133,84,85,135)       60.7141         estimate D2E/DX2                !
 ! D416  D(133,84,85,136)     -179.3054         estimate D2E/DX2                !
 ! D417  D(133,84,85,137)      -59.148          estimate D2E/DX2                !
 ! D418  D(134,84,85,135)      -60.5375         estimate D2E/DX2                !
 ! D419  D(134,84,85,136)       59.4431         estimate D2E/DX2                !
 ! D420  D(134,84,85,137)      179.6004         estimate D2E/DX2                !
 ! D421  D(82,84,133,143)       87.7199         estimate D2E/DX2                !
 ! D422  D(85,84,133,143)     -153.462          estimate D2E/DX2                !
 ! D423  D(134,84,133,143)     -32.8154         estimate D2E/DX2                !
 ! D424  D(82,84,134,143)      -89.1726         estimate D2E/DX2                !
 ! D425  D(85,84,134,143)      151.9714         estimate D2E/DX2                !
 ! D426  D(133,84,134,143)      31.6294         estimate D2E/DX2                !
 ! D427  D(83,86,87,140)        60.0166         estimate D2E/DX2                !
 ! D428  D(83,86,87,141)       179.9971         estimate D2E/DX2                !
 ! D429  D(83,86,87,142)       -60.1228         estimate D2E/DX2                !
 ! D430  D(138,86,87,140)      -59.8406         estimate D2E/DX2                !
 ! D431  D(138,86,87,141)       60.1399         estimate D2E/DX2                !
 ! D432  D(138,86,87,142)     -179.9801         estimate D2E/DX2                !
 ! D433  D(139,86,87,140)     -179.8471         estimate D2E/DX2                !
 ! D434  D(139,86,87,141)      -59.8666         estimate D2E/DX2                !
 ! D435  D(139,86,87,142)       60.0134         estimate D2E/DX2                !
 ! D436  D(84,133,143,9)       -94.4439         estimate D2E/DX2                !
 ! D437  D(84,133,143,15)      -91.287          estimate D2E/DX2                !
 ! D438  D(84,133,143,134)      18.6634         estimate D2E/DX2                !
 ! D439  D(84,134,143,9)        51.6665         estimate D2E/DX2                !
 ! D440  D(84,134,143,15)       40.8917         estimate D2E/DX2                !
 ! D441  D(84,134,143,133)     -18.4031         estimate D2E/DX2                !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06 EigMax=2.50D+02 EigMin=1.00D-04
 Number of steps in this run=    858 maximum allowed number of steps=    858.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.399377    2.787962   -0.024461
      2          6           0       -1.728733    1.484324   -0.164427
      3          6           0       -0.881301    0.430207   -0.253482
      4          6           0        0.438323    0.696528   -0.219667
      5          6           0        0.808219    1.983048   -0.058326
      6          6           0       -0.070831    2.988782    0.041747
      7          6           0       -1.267457   -0.857547   -0.441225
      8          6           0       -0.329224   -1.813282   -0.646595
      9          6           0        1.004294   -1.594412   -0.484874
     10          6           0        1.351736   -0.295878   -0.319920
     11          6           0       -2.567430   -1.240074   -0.413390
     12          6           0       -3.067705   -2.464251   -0.684061
     13          6           0       -2.121893   -3.303685   -1.136114
     14          6           0       -0.826097   -2.969800   -1.121542
     15          7           0        1.974285   -2.499780   -0.441626
     16          6           0        3.220947   -2.072412   -0.485948
     17          6           0        3.498401   -0.764200   -0.384308
     18          7           0        2.562288    0.072921   -0.298686
     19          6           0        4.315048   -2.827290   -0.707870
     20          6           0        5.568791   -2.346428   -0.692406
     21          6           0        5.860119   -1.049067   -0.473513
     22          6           0        4.756408   -0.281295   -0.365727
     23          6           0       -2.300528    3.809964    0.021093
     24          6           0       -4.377607   -2.814404   -0.554253
     25          6           0        7.129174   -0.566965   -0.385023
     26          6           0       -4.861401   -4.031050   -0.876943
     27          6           0       -6.141321   -4.397423   -0.693435
     28          6           0       -7.101155   -3.604948   -0.175685
     29          6           0       -6.613435   -2.383407    0.121346
     30          6           0       -5.334364   -2.007411   -0.050626
     31          6           0       -1.961658    5.097795    0.234584
     32          6           0       -2.843567    6.112135    0.247527
     33          6           0       -4.171606    5.977738    0.059604
     34          6           0       -4.504007    4.685712   -0.133974
     35          6           0       -3.629999    3.664381   -0.154938
     36          6           0        8.232996   -1.317935   -0.568931
     37          6           0        9.483969   -0.844915   -0.436577
     38          6           0        9.793337    0.426787   -0.111740
     39          6           0        8.681836    1.172264    0.053145
     40          6           0        7.425949    0.710163   -0.072238
     41          7           0       -5.012762    6.955509    0.063410
     42          7           0       -8.324367   -3.968028    0.014888
     43          7           0       10.995152    0.874079    0.027765
     44          6           0       -8.753220   -5.175328    0.178418
     45          6           0      -10.085795   -5.189902    0.356981
     46          6           0      -10.473540   -3.916244    0.314636
     47          6           0       -9.358517   -3.198940    0.092463
     48          6           0       -6.277849    6.890364    0.314895
     49          6           0       -6.850138    8.103323    0.218448
     50          6           0       -5.867158    8.945850   -0.093598
     51          6           0       -4.756099    8.195530   -0.189238
     52          6           0       11.384770    2.100374   -0.084560
     53          6           0       12.706284    2.205139    0.139829
     54          6           0       13.134187    0.967962    0.384424
     55          6           0       12.046141    0.181613    0.316260
     56          6           0      -11.702701   -3.400583    0.448748
     57          6           0      -11.850894   -2.074599    0.324421
     58          6           0      -10.777505   -1.324258    0.036551
     59          6           0       -9.559710   -1.878903   -0.096163
     60          6           0       -8.151235   -6.375616    0.307972
     61          6           0       -8.856941   -7.504114    0.498648
     62          6           0      -10.192915   -7.473777    0.606494
     63          6           0      -10.822174   -6.292111    0.551767
     64          6           0       -5.920382   10.268819   -0.296738
     65          6           0       -4.793670   10.901061   -0.652280
     66          6           0       -3.673464   10.184875   -0.825809
     67          6           0       -3.661156    8.856476   -0.616890
     68          6           0       -7.099901    5.908136    0.737753
     69          6           0       -8.411102    6.123224    0.943284
     70          6           0       -8.947758    7.339623    0.770591
     71          6           0       -8.150549    8.357175    0.417900
     72          6           0       14.373107    0.541248    0.662352
     73          6           0       14.551797   -0.760556    0.923915
     74          6           0       13.485781   -1.573779    0.934120
     75          6           0       12.255848   -1.106872    0.655743
     76          6           0       10.781678    3.245367   -0.464650
     77          6           0       11.446747    4.413286   -0.510231
     78          6           0       12.752848    4.477065   -0.214555
     79          6           0       13.402989    3.348776    0.100841
     80          8           0        0.513461   -4.625279    0.655253
     81         15           0        1.744122   -4.228118   -0.085863
     82          8           0        2.939446   -5.077378    0.685700
     83          8           0        1.874522   -5.137346   -1.465908
     84          6           0        3.419998   -4.722281    1.952343
     85          6           0        4.529755   -5.695126    2.341904
     86          6           0        1.154196   -6.338934   -1.586969
     87          6           0        1.467028   -6.962690   -2.944181
     88          1           0       -2.796565    1.283549   -0.238568
     89          1           0        1.865235    2.295415   -0.003421
     90          1           0        0.384990    3.983782    0.148667
     91          1           0       -3.309370   -0.495247   -0.128620
     92          1           0       -2.338974   -4.311807   -1.518061
     93          1           0       -0.172961   -3.722973   -1.575120
     94          1           0        4.246629   -3.900125   -0.935328
     95          1           0        6.346605   -3.107110   -0.857676
     96          1           0        4.832847    0.810767   -0.254529
     97          1           0       -4.232182   -4.810204   -1.332326
     98          1           0       -6.379012   -5.393400   -1.091795
     99          1           0       -7.225529   -1.637529    0.647028
    100          1           0       -5.117279   -0.991743    0.312929
    101          1           0       -0.926841    5.404836    0.448318
    102          1           0       -2.402897    7.078391    0.528804
    103          1           0       -5.528242    4.396507   -0.405338
    104          1           0       -4.092517    2.692489   -0.383877
    105          1           0        8.177317   -2.376005   -0.868509
    106          1           0       10.262158   -1.569738   -0.711991
    107          1           0        8.737283    2.204709    0.422883
    108          1           0        6.646295    1.451579    0.160987
    109          1           0      -12.582513   -4.032897    0.643147
    110          1           0      -12.847827   -1.613108    0.416375
    111          1           0      -10.909354   -0.240211   -0.124281
    112          1           0       -8.775002   -1.181962   -0.417749
    113          1           0       -7.062702   -6.515249    0.325161
    114          1           0       -8.333410   -8.470237    0.604264
    115          1           0      -10.761503   -8.402211    0.781300
    116          1           0      -11.914252   -6.248568    0.683359
    117          1           0       -6.857497   10.838223   -0.194485
    118          1           0       -4.797994   11.987214   -0.840778
    119          1           0       -2.760224   10.695369   -1.177333
    120          1           0       -2.712665    8.367632   -0.876033
    121          1           0       -6.761527    4.895654    0.993180
    122          1           0       -9.055424    5.296558    1.290018
    123          1           0      -10.021600    7.509655    0.955691
    124          1           0       -8.569170    9.369968    0.312969
    125          1           0       15.232637    1.228691    0.696185
    126          1           0       15.553858   -1.148463    1.171355
    127          1           0       13.623240   -2.633574    1.210675
    128          1           0       11.453231   -1.844311    0.784241
    129          1           0        9.741621    3.302639   -0.810417
    130          1           0       10.924688    5.332822   -0.827601
    131          1           0       13.293549    5.436383   -0.270937
    132          1           0       14.484356    3.380453    0.305307
    133          1           0        3.835556   -3.689330    1.919766
    134          1           0        2.588851   -4.787466    2.691687
    135          1           0        4.938449   -5.449098    3.348973
    136          1           0        4.153843   -6.743621    2.372894
    137          1           0        5.371330   -5.653988    1.612387
    138          1           0        1.453936   -7.037415   -0.770226
    139          1           0        0.060926   -6.135689   -1.513814
    140          1           0        2.554692   -7.180328   -3.046245
    141          1           0        0.913555   -7.920339   -3.079393
    142          1           0        1.175054   -6.279726   -3.775540
    143         17           0        1.414298   -1.896650    2.488987
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0199181           0.0080688           0.0058513
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13965.6377164700 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  6.75D-05  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.03634953     A.U. after   22 cycles
            NFock= 22  Conv=0.18D-08     -V/T= 2.0044
 Hyperfine terms turned off by default for NAtoms > 100.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -101.38268 -77.25606 -19.18246 -19.17928 -19.09786
 Alpha  occ. eigenvalues --  -14.44717 -14.39961 -14.39808 -14.39534 -14.33580
 Alpha  occ. eigenvalues --  -10.27313 -10.25324 -10.25305 -10.23558 -10.23410
 Alpha  occ. eigenvalues --  -10.23378 -10.22967 -10.22637 -10.22508 -10.21266
 Alpha  occ. eigenvalues --  -10.21231 -10.21185 -10.21166 -10.20978 -10.20960
 Alpha  occ. eigenvalues --  -10.20721 -10.20419 -10.20106 -10.20047 -10.19970
 Alpha  occ. eigenvalues --  -10.19834 -10.19477 -10.19451 -10.19448 -10.19410
 Alpha  occ. eigenvalues --  -10.19376 -10.19322 -10.19270 -10.19032 -10.19020
 Alpha  occ. eigenvalues --  -10.19004 -10.18995 -10.18983 -10.18935 -10.18928
 Alpha  occ. eigenvalues --  -10.18914 -10.18878 -10.18787 -10.18658 -10.18592
 Alpha  occ. eigenvalues --  -10.18572 -10.18524 -10.18509 -10.18348 -10.18305
 Alpha  occ. eigenvalues --  -10.18242 -10.18240 -10.18217 -10.18182 -10.18068
 Alpha  occ. eigenvalues --  -10.18042 -10.18022 -10.17951 -10.17912 -10.17898
 Alpha  occ. eigenvalues --  -10.17864 -10.17855 -10.17847 -10.17839 -10.17830
 Alpha  occ. eigenvalues --  -10.17820 -10.17787 -10.17692 -10.17672 -10.17671
 Alpha  occ. eigenvalues --  -10.17659 -10.17531 -10.17462 -10.17433 -10.17422
 Alpha  occ. eigenvalues --  -10.17276 -10.17254 -10.16617 -10.16529 -10.16524
 Alpha  occ. eigenvalues --  -10.16440 -10.16340 -10.16251  -9.29613  -7.05559
 Alpha  occ. eigenvalues --   -7.05326  -7.05286  -6.70095  -4.86461  -4.86447
 Alpha  occ. eigenvalues --   -4.86278  -1.08780  -1.08557  -1.08446  -1.08188
 Alpha  occ. eigenvalues --   -1.06752  -1.03462  -0.99030  -0.94939  -0.94247
 Alpha  occ. eigenvalues --   -0.92439  -0.92228  -0.91887  -0.91046  -0.90180
 Alpha  occ. eigenvalues --   -0.89188  -0.88350  -0.88003  -0.87938  -0.87803
 Alpha  occ. eigenvalues --   -0.87753  -0.85874  -0.84005  -0.83696  -0.82715
 Alpha  occ. eigenvalues --   -0.81573  -0.81124  -0.80019  -0.78928  -0.78629
 Alpha  occ. eigenvalues --   -0.78607  -0.78329  -0.78291  -0.77280  -0.77148
 Alpha  occ. eigenvalues --   -0.76739  -0.76482  -0.76236  -0.76043  -0.75637
 Alpha  occ. eigenvalues --   -0.74281  -0.74219  -0.74118  -0.73882  -0.73100
 Alpha  occ. eigenvalues --   -0.73038  -0.72930  -0.72856  -0.70776  -0.70060
 Alpha  occ. eigenvalues --   -0.69192  -0.67866  -0.67313  -0.67026  -0.65822
 Alpha  occ. eigenvalues --   -0.65587  -0.65069  -0.64779  -0.64435  -0.63937
 Alpha  occ. eigenvalues --   -0.63773  -0.63643  -0.63317  -0.62413  -0.61943
 Alpha  occ. eigenvalues --   -0.61454  -0.61264  -0.61208  -0.60708  -0.60482
 Alpha  occ. eigenvalues --   -0.59750  -0.59619  -0.59141  -0.58543  -0.57857
 Alpha  occ. eigenvalues --   -0.57749  -0.57382  -0.57148  -0.56952  -0.56876
 Alpha  occ. eigenvalues --   -0.56609  -0.56320  -0.54761  -0.53690  -0.53484
 Alpha  occ. eigenvalues --   -0.53319  -0.53060  -0.52991  -0.52719  -0.52076
 Alpha  occ. eigenvalues --   -0.51878  -0.51668  -0.51487  -0.51206  -0.50942
 Alpha  occ. eigenvalues --   -0.50671  -0.50141  -0.49609  -0.49494  -0.48872
 Alpha  occ. eigenvalues --   -0.48631  -0.48389  -0.48319  -0.48058  -0.47961
 Alpha  occ. eigenvalues --   -0.47445  -0.47328  -0.47150  -0.46789  -0.46580
 Alpha  occ. eigenvalues --   -0.46160  -0.45590  -0.45473  -0.45281  -0.45107
 Alpha  occ. eigenvalues --   -0.44658  -0.44324  -0.44218  -0.44016  -0.43942
 Alpha  occ. eigenvalues --   -0.43841  -0.43766  -0.43574  -0.43446  -0.43334
 Alpha  occ. eigenvalues --   -0.43080  -0.42797  -0.42749  -0.42645  -0.42569
 Alpha  occ. eigenvalues --   -0.42398  -0.42286  -0.42279  -0.42124  -0.41869
 Alpha  occ. eigenvalues --   -0.41797  -0.41711  -0.41559  -0.41380  -0.41030
 Alpha  occ. eigenvalues --   -0.40914  -0.40438  -0.40324  -0.40014  -0.39788
 Alpha  occ. eigenvalues --   -0.39456  -0.39178  -0.38858  -0.38635  -0.38578
 Alpha  occ. eigenvalues --   -0.38293  -0.38026  -0.37774  -0.37720  -0.37709
 Alpha  occ. eigenvalues --   -0.37569  -0.37535  -0.37285  -0.36996  -0.36754
 Alpha  occ. eigenvalues --   -0.36700  -0.36547  -0.36462  -0.36365  -0.36330
 Alpha  occ. eigenvalues --   -0.36189  -0.36106  -0.35780  -0.35260  -0.34417
 Alpha  occ. eigenvalues --   -0.34088  -0.33940  -0.33616  -0.33445  -0.33388
 Alpha  occ. eigenvalues --   -0.33339  -0.33194  -0.32808  -0.32596  -0.32384
 Alpha  occ. eigenvalues --   -0.32056  -0.31551  -0.30952  -0.30686  -0.30329
 Alpha  occ. eigenvalues --   -0.29790  -0.29742  -0.29460  -0.29028  -0.27987
 Alpha  occ. eigenvalues --   -0.27703  -0.27069  -0.27056  -0.26959  -0.26658
 Alpha  occ. eigenvalues --   -0.26550  -0.26493  -0.26328  -0.26260  -0.25728
 Alpha  occ. eigenvalues --   -0.24520  -0.23683  -0.23051  -0.22093  -0.22031
 Alpha  occ. eigenvalues --   -0.21856  -0.20787  -0.20262  -0.19982  -0.17855
 Alpha  occ. eigenvalues --   -0.17811  -0.17337
 Alpha virt. eigenvalues --   -0.12356  -0.06811  -0.04728  -0.03814  -0.03714
 Alpha virt. eigenvalues --   -0.02446  -0.02391  -0.02259  -0.02097  -0.00902
 Alpha virt. eigenvalues --   -0.00706  -0.00082   0.00092   0.00982   0.01080
 Alpha virt. eigenvalues --    0.01147   0.01322   0.02471   0.02727   0.04290
 Alpha virt. eigenvalues --    0.05216   0.05499   0.05669   0.05708   0.05828
 Alpha virt. eigenvalues --    0.06233   0.06670   0.07046   0.07800   0.07940
 Alpha virt. eigenvalues --    0.08392   0.08685   0.08861   0.09188   0.09327
 Alpha virt. eigenvalues --    0.09377   0.09474   0.09595   0.09805   0.10133
 Alpha virt. eigenvalues --    0.10762   0.11056   0.11329   0.11386   0.11840
 Alpha virt. eigenvalues --    0.12504   0.12720   0.12914   0.13203   0.13308
 Alpha virt. eigenvalues --    0.14205   0.14285   0.14606   0.15129   0.15184
 Alpha virt. eigenvalues --    0.15398   0.15594   0.15724   0.15942   0.16057
 Alpha virt. eigenvalues --    0.16373   0.16432   0.16518   0.16674   0.16966
 Alpha virt. eigenvalues --    0.17586   0.17676   0.17808   0.17965   0.18294
 Alpha virt. eigenvalues --    0.18426   0.18568   0.18634   0.18996   0.19394
 Alpha virt. eigenvalues --    0.19592   0.19764   0.20019   0.20267   0.20694
 Alpha virt. eigenvalues --    0.20904   0.21001   0.21230   0.21342   0.21425
 Alpha virt. eigenvalues --    0.21535   0.21780   0.22265   0.22516   0.22596
 Alpha virt. eigenvalues --    0.22863   0.22898   0.23324   0.23383   0.23429
 Alpha virt. eigenvalues --    0.23465   0.23645   0.23722   0.23771   0.24331
 Alpha virt. eigenvalues --    0.24938   0.25266   0.25963   0.26196   0.26499
 Alpha virt. eigenvalues --    0.26765   0.27027   0.27388   0.27484   0.27714
 Alpha virt. eigenvalues --    0.28050   0.28241   0.28508   0.28516   0.28757
 Alpha virt. eigenvalues --    0.29032   0.29149   0.29350   0.29460   0.29628
 Alpha virt. eigenvalues --    0.29931   0.30245   0.30714   0.30867   0.30932
 Alpha virt. eigenvalues --    0.31277   0.31749   0.31897   0.32467   0.32836
 Alpha virt. eigenvalues --    0.32956   0.33050   0.33198   0.33423   0.33897
 Alpha virt. eigenvalues --    0.34177   0.34357   0.34558   0.34658   0.34947
 Alpha virt. eigenvalues --    0.35204   0.36014   0.36196   0.36699   0.37292
 Alpha virt. eigenvalues --    0.37819   0.37972   0.39038   0.39198   0.39559
 Alpha virt. eigenvalues --    0.39672   0.40046   0.40179   0.40697   0.40923
 Alpha virt. eigenvalues --    0.41510   0.41930   0.42072   0.42160   0.42738
 Alpha virt. eigenvalues --    0.43839   0.43970   0.44274   0.44394   0.44894
 Alpha virt. eigenvalues --    0.45274   0.45652   0.45931   0.46261   0.46523
 Alpha virt. eigenvalues --    0.46583   0.46949   0.47558   0.47650   0.47694
 Alpha virt. eigenvalues --    0.48036   0.48121   0.48177   0.48422   0.48752
 Alpha virt. eigenvalues --    0.48948   0.49049   0.49395   0.49548   0.49851
 Alpha virt. eigenvalues --    0.49881   0.50165   0.50657   0.51066   0.51208
 Alpha virt. eigenvalues --    0.51288   0.51535   0.51719   0.51978   0.52480
 Alpha virt. eigenvalues --    0.52679   0.52783   0.53036   0.53114   0.53127
 Alpha virt. eigenvalues --    0.53312   0.53493   0.53665   0.53794   0.53845
 Alpha virt. eigenvalues --    0.53954   0.54110   0.54212   0.54553   0.54607
 Alpha virt. eigenvalues --    0.54685   0.54891   0.54913   0.55207   0.55341
 Alpha virt. eigenvalues --    0.55429   0.55575   0.55672   0.55784   0.56024
 Alpha virt. eigenvalues --    0.56069   0.56265   0.56550   0.56719   0.56826
 Alpha virt. eigenvalues --    0.56902   0.56929   0.57212   0.57285   0.57420
 Alpha virt. eigenvalues --    0.57490   0.57511   0.57605   0.57694   0.57912
 Alpha virt. eigenvalues --    0.57983   0.58149   0.58264   0.58454   0.58529
 Alpha virt. eigenvalues --    0.58720   0.59037   0.59060   0.59191   0.59327
 Alpha virt. eigenvalues --    0.59628   0.59695   0.59803   0.59891   0.59985
 Alpha virt. eigenvalues --    0.60199   0.60330   0.60636   0.60709   0.60911
 Alpha virt. eigenvalues --    0.60986   0.61095   0.61122   0.61188   0.61208
 Alpha virt. eigenvalues --    0.61341   0.61415   0.61439   0.61635   0.61772
 Alpha virt. eigenvalues --    0.61907   0.61953   0.62004   0.62232   0.62300
 Alpha virt. eigenvalues --    0.62491   0.62550   0.62609   0.62890   0.62967
 Alpha virt. eigenvalues --    0.63198   0.63394   0.63430   0.63525   0.63669
 Alpha virt. eigenvalues --    0.63727   0.63771   0.63943   0.63972   0.64010
 Alpha virt. eigenvalues --    0.64022   0.64312   0.64468   0.64638   0.64775
 Alpha virt. eigenvalues --    0.65027   0.65132   0.65325   0.65521   0.65878
 Alpha virt. eigenvalues --    0.66127   0.66395   0.66508   0.66758   0.66858
 Alpha virt. eigenvalues --    0.66938   0.67381   0.67480   0.67529   0.67892
 Alpha virt. eigenvalues --    0.68087   0.68297   0.68513   0.68633   0.68974
 Alpha virt. eigenvalues --    0.69134   0.69834   0.69990   0.70307   0.70506
 Alpha virt. eigenvalues --    0.70786   0.70899   0.71024   0.71103   0.71321
 Alpha virt. eigenvalues --    0.71474   0.71542   0.71994   0.72383   0.72561
 Alpha virt. eigenvalues --    0.72826   0.73167   0.73440   0.73790   0.74086
 Alpha virt. eigenvalues --    0.74354   0.74630   0.75130   0.75204   0.75451
 Alpha virt. eigenvalues --    0.75536   0.75984   0.76233   0.76617   0.76914
 Alpha virt. eigenvalues --    0.77170   0.77269   0.77353   0.77517   0.77695
 Alpha virt. eigenvalues --    0.77900   0.78182   0.78212   0.78583   0.78815
 Alpha virt. eigenvalues --    0.79214   0.79259   0.79526   0.79911   0.80064
 Alpha virt. eigenvalues --    0.80305   0.80575   0.81024   0.81224   0.81499
 Alpha virt. eigenvalues --    0.81686   0.81750   0.81846   0.81910   0.82001
 Alpha virt. eigenvalues --    0.82116   0.82195   0.82563   0.82730   0.82773
 Alpha virt. eigenvalues --    0.82898   0.82972   0.83042   0.83208   0.83234
 Alpha virt. eigenvalues --    0.83436   0.83653   0.83719   0.83988   0.84246
 Alpha virt. eigenvalues --    0.84722   0.84906   0.85187   0.85301   0.85519
 Alpha virt. eigenvalues --    0.86022   0.86270   0.86554   0.86709   0.86949
 Alpha virt. eigenvalues --    0.87185   0.87333   0.87679   0.87749   0.88036
 Alpha virt. eigenvalues --    0.88121   0.88239   0.88274   0.88373   0.88501
 Alpha virt. eigenvalues --    0.88815   0.88867   0.89095   0.89308   0.89910
 Alpha virt. eigenvalues --    0.90234   0.90959   0.91517   0.91856   0.92012
 Alpha virt. eigenvalues --    0.92161   0.92316   0.92421   0.92554   0.92723
 Alpha virt. eigenvalues --    0.94007   0.94414   0.94527   0.94614   0.94872
 Alpha virt. eigenvalues --    0.95720   0.95867   0.96032   0.96186   0.96509
 Alpha virt. eigenvalues --    0.97496   0.97818   0.97899   0.97992   0.98103
 Alpha virt. eigenvalues --    0.98121   0.98261   0.98459   0.98541   0.98801
 Alpha virt. eigenvalues --    0.98820   0.98902   0.99076   0.99238   0.99577
 Alpha virt. eigenvalues --    0.99639   1.00056   1.00560   1.00688   1.01054
 Alpha virt. eigenvalues --    1.01517   1.01640   1.01879   1.02174   1.02403
 Alpha virt. eigenvalues --    1.02532   1.02728   1.02785   1.02980   1.03234
 Alpha virt. eigenvalues --    1.03507   1.03765   1.04138   1.04202   1.04383
 Alpha virt. eigenvalues --    1.04667   1.04717   1.04877   1.04974   1.05411
 Alpha virt. eigenvalues --    1.05898   1.05978   1.06488   1.06849   1.07351
 Alpha virt. eigenvalues --    1.07454   1.08105   1.08583   1.08802   1.09901
 Alpha virt. eigenvalues --    1.10023   1.10057   1.10214   1.10402   1.10661
 Alpha virt. eigenvalues --    1.10895   1.10986   1.11339   1.11991   1.12262
 Alpha virt. eigenvalues --    1.12520   1.12944   1.13085   1.13425   1.13590
 Alpha virt. eigenvalues --    1.14101   1.14409   1.14583   1.14890   1.14957
 Alpha virt. eigenvalues --    1.15900   1.16116   1.17011   1.17189   1.17272
 Alpha virt. eigenvalues --    1.17609   1.17662   1.17983   1.18390   1.18565
 Alpha virt. eigenvalues --    1.18851   1.19002   1.19638   1.20105   1.20676
 Alpha virt. eigenvalues --    1.20820   1.20968   1.21270   1.21435   1.21667
 Alpha virt. eigenvalues --    1.21703   1.21983   1.22381   1.22818   1.23251
 Alpha virt. eigenvalues --    1.23717   1.23805   1.23984   1.24251   1.24284
 Alpha virt. eigenvalues --    1.24353   1.24514   1.24958   1.25125   1.25227
 Alpha virt. eigenvalues --    1.25371   1.25745   1.26024   1.26235   1.26444
 Alpha virt. eigenvalues --    1.26656   1.27314   1.27536   1.27613   1.27887
 Alpha virt. eigenvalues --    1.28090   1.28505   1.28713   1.28950   1.29408
 Alpha virt. eigenvalues --    1.29732   1.30185   1.30237   1.30382   1.30622
 Alpha virt. eigenvalues --    1.31162   1.31598   1.31880   1.31947   1.32133
 Alpha virt. eigenvalues --    1.32934   1.33207   1.33437   1.33876   1.34111
 Alpha virt. eigenvalues --    1.34189   1.34416   1.35473   1.35730   1.36169
 Alpha virt. eigenvalues --    1.36280   1.36331   1.36481   1.36662   1.36717
 Alpha virt. eigenvalues --    1.36887   1.36952   1.36998   1.37852   1.37980
 Alpha virt. eigenvalues --    1.38342   1.38542   1.38923   1.39349   1.39840
 Alpha virt. eigenvalues --    1.39900   1.39973   1.40173   1.40293   1.40529
 Alpha virt. eigenvalues --    1.41083   1.41137   1.41259   1.41484   1.41855
 Alpha virt. eigenvalues --    1.42178   1.42359   1.42698   1.42796   1.42927
 Alpha virt. eigenvalues --    1.43000   1.43474   1.43562   1.43736   1.43932
 Alpha virt. eigenvalues --    1.44034   1.44132   1.44180   1.44385   1.45089
 Alpha virt. eigenvalues --    1.45710   1.45876   1.45917   1.46264   1.46372
 Alpha virt. eigenvalues --    1.46562   1.47139   1.47274   1.47482   1.47947
 Alpha virt. eigenvalues --    1.48064   1.48210   1.48624   1.48815   1.48953
 Alpha virt. eigenvalues --    1.49193   1.49672   1.51232   1.52477   1.53518
 Alpha virt. eigenvalues --    1.54135   1.54246   1.54383   1.54452   1.54625
 Alpha virt. eigenvalues --    1.54926   1.55357   1.55637   1.55750   1.56136
 Alpha virt. eigenvalues --    1.56264   1.56852   1.56934   1.58149   1.58372
 Alpha virt. eigenvalues --    1.59134   1.59912   1.60350   1.60931   1.61427
 Alpha virt. eigenvalues --    1.62277   1.62751   1.63798   1.64736   1.65470
 Alpha virt. eigenvalues --    1.65766   1.66003   1.66731   1.67058   1.67098
 Alpha virt. eigenvalues --    1.67354   1.67737   1.68231   1.68849   1.68947
 Alpha virt. eigenvalues --    1.69226   1.69603   1.69819   1.72584   1.73071
 Alpha virt. eigenvalues --    1.73388   1.74279   1.74616   1.74820   1.75593
 Alpha virt. eigenvalues --    1.76008   1.76556   1.76676   1.76750   1.77043
 Alpha virt. eigenvalues --    1.77175   1.77221   1.77885   1.78301   1.78534
 Alpha virt. eigenvalues --    1.78757   1.78832   1.79362   1.79534   1.79926
 Alpha virt. eigenvalues --    1.80076   1.80262   1.80412   1.80515   1.80688
 Alpha virt. eigenvalues --    1.80732   1.80865   1.81444   1.81621   1.81823
 Alpha virt. eigenvalues --    1.82114   1.82590   1.83239   1.83485   1.84161
 Alpha virt. eigenvalues --    1.84271   1.84590   1.85214   1.86137   1.86298
 Alpha virt. eigenvalues --    1.86372   1.86633   1.86914   1.87175   1.87230
 Alpha virt. eigenvalues --    1.87311   1.87440   1.87600   1.87778   1.88419
 Alpha virt. eigenvalues --    1.88547   1.89056   1.89237   1.89431   1.89491
 Alpha virt. eigenvalues --    1.89867   1.90129   1.90146   1.90302   1.90492
 Alpha virt. eigenvalues --    1.90550   1.90752   1.90907   1.91232   1.91447
 Alpha virt. eigenvalues --    1.91707   1.92071   1.92557   1.93079   1.93572
 Alpha virt. eigenvalues --    1.93740   1.93772   1.94038   1.94230   1.94661
 Alpha virt. eigenvalues --    1.95199   1.95732   1.95951   1.96257   1.96404
 Alpha virt. eigenvalues --    1.96785   1.96999   1.97220   1.97371   1.97444
 Alpha virt. eigenvalues --    1.97637   1.97809   1.97950   1.98340   1.98437
 Alpha virt. eigenvalues --    1.98565   1.98606   1.98793   1.99058   1.99514
 Alpha virt. eigenvalues --    1.99674   1.99965   2.00190   2.00604   2.00856
 Alpha virt. eigenvalues --    2.01013   2.01275   2.01347   2.01569   2.01766
 Alpha virt. eigenvalues --    2.02055   2.02172   2.02355   2.02472   2.02644
 Alpha virt. eigenvalues --    2.03197   2.03319   2.03521   2.03867   2.03942
 Alpha virt. eigenvalues --    2.04064   2.04153   2.04287   2.04359   2.04461
 Alpha virt. eigenvalues --    2.04492   2.04659   2.04729   2.04913   2.05033
 Alpha virt. eigenvalues --    2.05210   2.05299   2.05731   2.06449   2.06677
 Alpha virt. eigenvalues --    2.06745   2.07002   2.07366   2.08149   2.08530
 Alpha virt. eigenvalues --    2.08835   2.09259   2.09399   2.09976   2.10327
 Alpha virt. eigenvalues --    2.10545   2.10623   2.10722   2.10914   2.11100
 Alpha virt. eigenvalues --    2.11392   2.12186   2.12271   2.12426   2.12518
 Alpha virt. eigenvalues --    2.12746   2.15131   2.15226   2.15485   2.15563
 Alpha virt. eigenvalues --    2.15883   2.16918   2.16973   2.17247   2.17325
 Alpha virt. eigenvalues --    2.18619   2.19082   2.19175   2.19282   2.19554
 Alpha virt. eigenvalues --    2.19966   2.20715   2.21006   2.21186   2.21231
 Alpha virt. eigenvalues --    2.21478   2.21574   2.21885   2.21984   2.22186
 Alpha virt. eigenvalues --    2.22456   2.22903   2.23868   2.24599   2.24672
 Alpha virt. eigenvalues --    2.24737   2.25044   2.25112   2.25325   2.25416
 Alpha virt. eigenvalues --    2.25529   2.25615   2.26138   2.26921   2.27463
 Alpha virt. eigenvalues --    2.27565   2.27930   2.28368   2.28608   2.28985
 Alpha virt. eigenvalues --    2.29630   2.29866   2.30339   2.30644   2.30883
 Alpha virt. eigenvalues --    2.30985   2.31072   2.31075   2.31260   2.31736
 Alpha virt. eigenvalues --    2.31786   2.31977   2.32159   2.32195   2.32437
 Alpha virt. eigenvalues --    2.32626   2.33107   2.33897   2.34595   2.35052
 Alpha virt. eigenvalues --    2.35260   2.35329   2.35407   2.35871   2.35945
 Alpha virt. eigenvalues --    2.35979   2.36303   2.36942   2.37021   2.37195
 Alpha virt. eigenvalues --    2.37284   2.37499   2.37645   2.37713   2.37779
 Alpha virt. eigenvalues --    2.37808   2.37940   2.38074   2.38124   2.38472
 Alpha virt. eigenvalues --    2.38663   2.38862   2.39434   2.39584   2.40790
 Alpha virt. eigenvalues --    2.40844   2.40911   2.41054   2.41186   2.41319
 Alpha virt. eigenvalues --    2.41526   2.41700   2.41903   2.41946   2.42132
 Alpha virt. eigenvalues --    2.42320   2.42584   2.42963   2.43061   2.44139
 Alpha virt. eigenvalues --    2.44519   2.44685   2.44796   2.44998   2.45305
 Alpha virt. eigenvalues --    2.45415   2.45630   2.45735   2.45900   2.46246
 Alpha virt. eigenvalues --    2.46479   2.46643   2.47029   2.47126   2.47514
 Alpha virt. eigenvalues --    2.47862   2.48251   2.48411   2.48487   2.48805
 Alpha virt. eigenvalues --    2.48882   2.48982   2.49163   2.49474   2.50303
 Alpha virt. eigenvalues --    2.50417   2.50588   2.50683   2.50905   2.51195
 Alpha virt. eigenvalues --    2.51479   2.51783   2.52002   2.52259   2.52561
 Alpha virt. eigenvalues --    2.52888   2.53090   2.53451   2.53679   2.54165
 Alpha virt. eigenvalues --    2.54388   2.54634   2.54707   2.54987   2.55291
 Alpha virt. eigenvalues --    2.56554   2.56740   2.56828   2.57222   2.57279
 Alpha virt. eigenvalues --    2.57843   2.57970   2.58134   2.58363   2.58813
 Alpha virt. eigenvalues --    2.58865   2.59269   2.59497   2.59533   2.60021
 Alpha virt. eigenvalues --    2.60263   2.60757   2.60820   2.61026   2.61197
 Alpha virt. eigenvalues --    2.61471   2.61490   2.61540   2.61651   2.61832
 Alpha virt. eigenvalues --    2.62001   2.62443   2.62613   2.62819   2.63006
 Alpha virt. eigenvalues --    2.63272   2.63456   2.63580   2.63677   2.64035
 Alpha virt. eigenvalues --    2.64717   2.65007   2.65515   2.65748   2.66413
 Alpha virt. eigenvalues --    2.66632   2.67298   2.67460   2.67588   2.67741
 Alpha virt. eigenvalues --    2.67871   2.68136   2.68584   2.68804   2.68906
 Alpha virt. eigenvalues --    2.69245   2.70101   2.70308   2.70515   2.70722
 Alpha virt. eigenvalues --    2.71023   2.71267   2.71393   2.71588   2.71796
 Alpha virt. eigenvalues --    2.71962   2.72191   2.72479   2.73088   2.73183
 Alpha virt. eigenvalues --    2.73779   2.74161   2.74346   2.74522   2.75115
 Alpha virt. eigenvalues --    2.76257   2.76578   2.77023   2.78016   2.78132
 Alpha virt. eigenvalues --    2.78265   2.78389   2.78422   2.79287   2.79415
 Alpha virt. eigenvalues --    2.79747   2.80036   2.80496   2.80943   2.81424
 Alpha virt. eigenvalues --    2.81532   2.81643   2.82117   2.82799   2.83763
 Alpha virt. eigenvalues --    2.83932   2.84133   2.84231   2.85145   2.85407
 Alpha virt. eigenvalues --    2.85965   2.86475   2.87123   2.87558   2.87764
 Alpha virt. eigenvalues --    2.88173   2.88295   2.88882   2.89439   2.89782
 Alpha virt. eigenvalues --    2.89875   2.89992   2.90061   2.90577   2.90655
 Alpha virt. eigenvalues --    2.91124   2.91785   2.92288   2.92890   2.93167
 Alpha virt. eigenvalues --    2.94716   2.94778   2.94863   2.95003   2.95588
 Alpha virt. eigenvalues --    2.95671   2.95827   2.96061   2.96928   2.97242
 Alpha virt. eigenvalues --    2.97997   2.99121   2.99152   2.99334   2.99664
 Alpha virt. eigenvalues --    2.99980   3.00117   3.00259   3.00869   3.01184
 Alpha virt. eigenvalues --    3.02475   3.03027   3.03322   3.04282   3.04514
 Alpha virt. eigenvalues --    3.05673   3.06906   3.07590   3.09480   3.10281
 Alpha virt. eigenvalues --    3.10637   3.11766   3.12055   3.12562   3.13528
 Alpha virt. eigenvalues --    3.14155   3.15718   3.16815   3.17722   3.20125
 Alpha virt. eigenvalues --    3.20776   3.20888   3.21053   3.21377   3.21663
 Alpha virt. eigenvalues --    3.21770   3.21982   3.22140   3.22318   3.22465
 Alpha virt. eigenvalues --    3.23828   3.24403   3.24699   3.24963   3.25137
 Alpha virt. eigenvalues --    3.25685   3.25724   3.26130   3.27093   3.27128
 Alpha virt. eigenvalues --    3.27241   3.27367   3.27446   3.28343   3.28521
 Alpha virt. eigenvalues --    3.30048   3.30604   3.30700   3.30962   3.31585
 Alpha virt. eigenvalues --    3.32097   3.33398   3.34035   3.35361   3.36209
 Alpha virt. eigenvalues --    3.36306   3.38343   3.39469   3.39524   3.39662
 Alpha virt. eigenvalues --    3.39802   3.39999   3.40331   3.41105   3.41511
 Alpha virt. eigenvalues --    3.41831   3.42709   3.43667   3.45544   3.45634
 Alpha virt. eigenvalues --    3.45809   3.47707   3.47889   3.48686   3.48735
 Alpha virt. eigenvalues --    3.48742   3.48912   3.49940   3.50319   3.51449
 Alpha virt. eigenvalues --    3.51639   3.51933   3.52402   3.53438   3.56748
 Alpha virt. eigenvalues --    3.57000   3.57482   3.57798   3.58315   3.63875
 Alpha virt. eigenvalues --    3.63961   3.64195   3.68671   3.69226   3.70236
 Alpha virt. eigenvalues --    3.72452   3.76504   3.79939   3.84481   3.89041
 Alpha virt. eigenvalues --    3.94235   3.94955   3.95840   3.98339   3.99848
 Alpha virt. eigenvalues --    4.01892   4.03725   4.04400   4.04451   4.04656
 Alpha virt. eigenvalues --    4.12060   4.14698   4.14780   4.14833   4.15048
 Alpha virt. eigenvalues --    4.15149   4.15640   4.16095   4.16189   4.16333
 Alpha virt. eigenvalues --    4.16433   4.16678   4.17075   4.17214   4.17527
 Alpha virt. eigenvalues --    4.17594   4.17613   4.17769   4.17814   4.17817
 Alpha virt. eigenvalues --    4.18111   4.18255   4.19290   4.19951   4.20708
 Alpha virt. eigenvalues --    4.20745   4.20818   4.20983   4.20990   4.21739
 Alpha virt. eigenvalues --    4.22354   4.26965   4.27033   4.27267   4.27352
 Alpha virt. eigenvalues --    4.28349   4.28993   4.29790   4.30952   4.34201
 Alpha virt. eigenvalues --    4.37066   4.38946   4.40009   4.40324   4.40441
 Alpha virt. eigenvalues --    4.41047   4.41925   4.42637   4.44707   4.47688
 Alpha virt. eigenvalues --    4.47753   4.48260   4.49579   4.51433   4.53030
 Alpha virt. eigenvalues --    4.53121   4.53392   4.54826   4.57589   4.57659
 Alpha virt. eigenvalues --    4.57844   4.57864   4.58489   4.58720   4.59168
 Alpha virt. eigenvalues --    4.59924   4.60869   4.61289   4.63737   4.69910
 Alpha virt. eigenvalues --    4.76880   4.78381   4.79380   4.82132   4.86055
 Alpha virt. eigenvalues --    4.90355   4.95334   4.97590   5.02245   5.06675
 Alpha virt. eigenvalues --    5.07295   5.07376   5.07562   5.08383   5.10468
 Alpha virt. eigenvalues --    5.20237
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  C    0.193008
     2  C   -0.249567
     3  C    0.113612
     4  C    0.057133
     5  C   -0.115138
     6  C   -0.157121
     7  C    0.102967
     8  C    0.189921
     9  C    0.363443
    10  C    0.272455
    11  C   -0.220880
    12  C    0.173824
    13  C   -0.153748
    14  C   -0.160116
    15  N   -0.775684
    16  C    0.423039
    17  C    0.297318
    18  N   -0.577775
    19  C   -0.188065
    20  C   -0.140458
    21  C    0.151377
    22  C   -0.191199
    23  C    0.108453
    24  C    0.111870
    25  C    0.120545
    26  C   -0.144072
    27  C   -0.150064
    28  C    0.377597
    29  C   -0.151740
    30  C   -0.144780
    31  C   -0.151734
    32  C   -0.151042
    33  C    0.373592
    34  C   -0.150590
    35  C   -0.145850
    36  C   -0.153283
    37  C   -0.148049
    38  C    0.374664
    39  C   -0.152403
    40  C   -0.144855
    41  N   -0.677194
    42  N   -0.678648
    43  N   -0.678394
    44  C    0.294752
    45  C    0.031317
    46  C    0.030975
    47  C    0.296893
    48  C    0.295687
    49  C    0.030552
    50  C    0.030903
    51  C    0.295698
    52  C    0.297107
    53  C    0.030433
    54  C    0.031017
    55  C    0.295107
    56  C   -0.115372
    57  C   -0.108573
    58  C   -0.083951
    59  C   -0.118529
    60  C   -0.119755
    61  C   -0.083931
    62  C   -0.108544
    63  C   -0.115432
    64  C   -0.115746
    65  C   -0.109292
    66  C   -0.083878
    67  C   -0.120354
    68  C   -0.119544
    69  C   -0.084019
    70  C   -0.109398
    71  C   -0.115448
    72  C   -0.115388
    73  C   -0.109113
    74  C   -0.084022
    75  C   -0.119808
    76  C   -0.119573
    77  C   -0.083982
    78  C   -0.108832
    79  C   -0.115556
    80  O   -0.551570
    81  P    1.356557
    82  O   -0.527557
    83  O   -0.580048
    84  C    0.045214
    85  C   -0.335979
    86  C    0.069897
    87  C   -0.335354
    88  H    0.071511
    89  H    0.107744
    90  H    0.081173
    91  H    0.084347
    92  H    0.085219
    93  H    0.098767
    94  H    0.140509
    95  H    0.098646
    96  H    0.105413
    97  H    0.088471
    98  H    0.101558
    99  H    0.103493
   100  H    0.090015
   101  H    0.087501
   102  H    0.100768
   103  H    0.097343
   104  H    0.080380
   105  H    0.083602
   106  H    0.100926
   107  H    0.104137
   108  H    0.092288
   109  H    0.083356
   110  H    0.075957
   111  H    0.077662
   112  H    0.087972
   113  H    0.093504
   114  H    0.079880
   115  H    0.076193
   116  H    0.082880
   117  H    0.081854
   118  H    0.074268
   119  H    0.076974
   120  H    0.089006
   121  H    0.088979
   122  H    0.076473
   123  H    0.074348
   124  H    0.081909
   125  H    0.082575
   126  H    0.075464
   127  H    0.078350
   128  H    0.089808
   129  H    0.088885
   130  H    0.077951
   131  H    0.075441
   132  H    0.082691
   133  H    0.121955
   134  H    0.154360
   135  H    0.115635
   136  H    0.113430
   137  H    0.096825
   138  H    0.122735
   139  H    0.109859
   140  H    0.119304
   141  H    0.110038
   142  H    0.113046
   143  Cl  -0.719308
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.193008
     2  C   -0.178056
     3  C    0.113612
     4  C    0.057133
     5  C   -0.007394
     6  C   -0.075948
     7  C    0.102967
     8  C    0.189921
     9  C    0.363443
    10  C    0.272455
    11  C   -0.136533
    12  C    0.173824
    13  C   -0.068528
    14  C   -0.061349
    15  N   -0.775684
    16  C    0.423039
    17  C    0.297318
    18  N   -0.577775
    19  C   -0.047555
    20  C   -0.041813
    21  C    0.151377
    22  C   -0.085786
    23  C    0.108453
    24  C    0.111870
    25  C    0.120545
    26  C   -0.055601
    27  C   -0.048506
    28  C    0.377597
    29  C   -0.048247
    30  C   -0.054765
    31  C   -0.064233
    32  C   -0.050274
    33  C    0.373592
    34  C   -0.053247
    35  C   -0.065470
    36  C   -0.069681
    37  C   -0.047123
    38  C    0.374664
    39  C   -0.048265
    40  C   -0.052567
    41  N   -0.677194
    42  N   -0.678648
    43  N   -0.678394
    44  C    0.294752
    45  C    0.031317
    46  C    0.030975
    47  C    0.296893
    48  C    0.295687
    49  C    0.030552
    50  C    0.030903
    51  C    0.295698
    52  C    0.297107
    53  C    0.030433
    54  C    0.031017
    55  C    0.295107
    56  C   -0.032017
    57  C   -0.032616
    58  C   -0.006288
    59  C   -0.030557
    60  C   -0.026251
    61  C   -0.004051
    62  C   -0.032352
    63  C   -0.032552
    64  C   -0.033892
    65  C   -0.035024
    66  C   -0.006905
    67  C   -0.031348
    68  C   -0.030565
    69  C   -0.007547
    70  C   -0.035050
    71  C   -0.033539
    72  C   -0.032813
    73  C   -0.033649
    74  C   -0.005672
    75  C   -0.030000
    76  C   -0.030687
    77  C   -0.006031
    78  C   -0.033392
    79  C   -0.032865
    80  O   -0.551570
    81  P    1.356557
    82  O   -0.527557
    83  O   -0.580048
    84  C    0.321529
    85  C   -0.010089
    86  C    0.302491
    87  C    0.007033
   143  Cl  -0.719308
 Electronic spatial extent (au):  <R**2>=         165686.4542
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.2276    Y=              0.6047    Z=             -8.2544  Tot=              8.2797
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -424.0262   YY=           -460.4325   ZZ=           -538.3261
   XY=              0.5960   XZ=             -7.5583   YZ=             19.3563
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             50.2354   YY=             13.8291   ZZ=            -64.0645
   XY=              0.5960   XZ=             -7.5583   YZ=             19.3563
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            152.8367  YYY=           -115.6017  ZZZ=            -43.8451  XYY=             -2.0384
  XXY=           -108.5677  XXZ=            105.7684  XZZ=             11.0189  YZZ=            -44.6302
  YYZ=            -85.6439  XYZ=             -4.3356
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=        -149087.4036 YYYY=         -60284.0737 ZZZZ=          -2869.3688 XXXY=            489.5102
 XXXZ=            142.2572 YYYX=            -10.1596 YYYZ=            -74.0178 ZZZX=              0.6764
 ZZZY=             83.7292 XXYY=         -34970.0725 XXZZ=         -28861.3663 YYZZ=         -11585.7850
 XXYZ=           -290.8101 YYXZ=            -77.4843 ZZXY=           -116.5208
 N-N= 1.396563771647D+04 E-N=-3.797344802172D+04  KE= 4.287070547122D+03
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.038072943   -0.029899034    0.000659097
      2        6          -0.065599394   -0.037485087   -0.006649606
      3        6          -0.024206697    0.039414137    0.007595946
      4        6          -0.028727753    0.021884908    0.004045310
      5        6           0.046248146    0.059100383    0.007948704
      6        6           0.027315622    0.068057580    0.008260348
      7        6          -0.025426713   -0.030981161    0.005135952
      8        6           0.007617843   -0.028641814   -0.011515585
      9        6          -0.006467129   -0.025711372    0.017796607
     10        6           0.029252743    0.012722235    0.002220693
     11        6          -0.064237941    0.032587980    0.015507536
     12        6           0.032065339    0.028922629    0.000009585
     13        6           0.036242234   -0.062710070   -0.029457697
     14        6           0.052189599   -0.057447630   -0.029242114
     15        7           0.010485527   -0.063743855   -0.022669152
     16        6           0.043676871   -0.013978526   -0.001950727
     17        6           0.026067829    0.009587236    0.002944414
     18        7          -0.043020650    0.087724244    0.007932693
     19        6           0.035962721   -0.074574170   -0.013111172
     20        6           0.051966019   -0.050907440   -0.008339538
     21        6          -0.044861734   -0.012652549   -0.003236760
     22        6           0.008382397    0.072268324    0.006589552
     23        6          -0.036813763    0.014849021    0.000019876
     24        6          -0.031640490   -0.017491730    0.001819886
     25        6           0.029931041    0.027011278    0.003231597
     26        6           0.047344207   -0.042225622   -0.025642141
     27        6           0.024287099   -0.072834139   -0.035071875
     28        6           0.061937142    0.047388610   -0.008553274
     29        6          -0.057006310    0.048989607    0.037919063
     30        6          -0.022803356    0.059380034    0.023113353
     31        6           0.044526256    0.048896103    0.016041004
     32        6           0.016998447    0.077656215    0.025100372
     33        6           0.070784054   -0.039265283    0.004093385
     34        6          -0.054526415   -0.057474421   -0.026207281
     35        6          -0.016463624   -0.063214331   -0.015023208
     36        6           0.031040945   -0.057502105   -0.016319035
     37        6           0.069726846   -0.041554493   -0.021513121
     38        6          -0.059686396   -0.051753130   -0.012763943
     39        6          -0.038317860    0.068793943    0.026772012
     40        6          -0.055029280    0.036983058    0.012463588
     41        7           0.014577011   -0.008285084    0.001325364
     42        7           0.016873634    0.011780133   -0.003240596
     43        7          -0.013770022   -0.012326127   -0.003633666
     44        6           0.041668973   -0.096046779    0.011261167
     45        6          -0.009245886   -0.045284046    0.002300367
     46        6          -0.045928834    0.003845393    0.004937318
     47        6          -0.081222167    0.066050527   -0.005932237
     48        6          -0.069784671   -0.074386804    0.021997604
     49        6          -0.045124354   -0.009813459    0.001527207
     50        6          -0.015990813    0.043192654   -0.004613286
     51        6           0.028115449    0.097635873   -0.024307590
     52        6          -0.043606099    0.092520824   -0.020307763
     53        6           0.006203038    0.045913993    0.001803006
     54        6           0.045508411   -0.000713074    0.008752773
     55        6           0.080422444   -0.061057222    0.028071138
     56        6          -0.048313326   -0.039724848    0.008573290
     57        6          -0.073349065   -0.003997751    0.005275013
     58        6          -0.024050559    0.057961662   -0.011744703
     59        6           0.033914448    0.078122341   -0.020374470
     60        6           0.086924242    0.012611094    0.003669340
     61        6           0.050592729   -0.038083929    0.008447102
     62        6          -0.024404289   -0.069211127    0.008585111
     63        6          -0.052141664   -0.035366088    0.005394532
     64        6          -0.056542958    0.028866943   -0.001124529
     65        6          -0.034107315    0.064671540   -0.010461843
     66        6           0.043640430    0.042482351   -0.017787342
     67        6           0.086991335   -0.001351528   -0.014736806
     68        6           0.046251209   -0.071449550    0.021536662
     69        6          -0.014459086   -0.059334801    0.019297197
     70        6          -0.073998908   -0.005062287    0.004318836
     71        6          -0.053531321    0.032639207   -0.005142547
     72        6           0.045919879    0.043337847    0.007884472
     73        6           0.071335212    0.008829469    0.017668895
     74        6           0.023530168   -0.056667912    0.016814306
     75        6          -0.032431923   -0.081280894    0.006687695
     76        6          -0.080522954   -0.017168117   -0.030182092
     77        6          -0.048702838    0.035252727   -0.021938675
     78        6           0.020615098    0.070951728    0.001793099
     79        6           0.048591214    0.038865792    0.011918986
     80        8          -0.010217496    0.023458485   -0.013053960
     81       15          -0.001105116   -0.105661251    0.041122589
     82        8          -0.004267577    0.028686859   -0.042173415
     83        8          -0.000891619    0.060292441   -0.004248153
     84        6           0.003257207    0.013817151    0.039809648
     85        6           0.011735384   -0.006246954   -0.000001908
     86        6          -0.008903986   -0.032672401    0.004230418
     87        6           0.006106722    0.000447472   -0.011475203
     88        1           0.005119178   -0.000883277    0.001035253
     89        1          -0.004908013   -0.016544960   -0.001833019
     90        1          -0.005942317   -0.009211213   -0.000927476
     91        1           0.006492446    0.002801464   -0.001056437
     92        1          -0.005601030    0.008669571    0.003455399
     93        1          -0.004100109    0.007792043    0.004376414
     94        1          -0.007674195    0.005992861    0.002972303
     95        1          -0.007749367    0.007934807    0.000711085
     96        1           0.001158014   -0.011838777   -0.001117021
     97        1          -0.005735324    0.008235644    0.004178635
     98        1          -0.005581797    0.008704111    0.005575298
     99        1           0.005733933   -0.008569526   -0.005907858
    100        1           0.005815367   -0.007734272   -0.004431051
    101        1          -0.004913467   -0.009503468   -0.002791705
    102        1          -0.005012295   -0.009734169   -0.004028028
    103        1           0.004976787    0.009409614    0.004291095
    104        1           0.005443052    0.008588477    0.003062256
    105        1          -0.006520474    0.008094702    0.002552469
    106        1          -0.007599298    0.008085135    0.003895746
    107        1           0.007607659   -0.007599017   -0.004127158
    108        1           0.007444125   -0.007472937   -0.002833508
    109        1           0.008114597    0.005821466   -0.001308556
    110        1           0.009682982   -0.000377763    0.000653277
    111        1           0.007614417   -0.008301769    0.001824759
    112        1           0.000652854   -0.009821012    0.004060316
    113        1          -0.009878585    0.003137591   -0.002839331
    114        1          -0.006157391    0.009531413   -0.002190883
    115        1           0.002085514    0.009327862   -0.002465705
    116        1           0.007897419    0.006238282   -0.001008101
    117        1           0.008989567   -0.005159302    0.000420857
    118        1           0.003479193   -0.008583801    0.002722014
    119        1          -0.004532321   -0.009740567    0.003639225
    120        1          -0.009264203   -0.004121935    0.004533347
    121        1          -0.000964267    0.009579645   -0.004784967
    122        1           0.006029647    0.009064588   -0.003448609
    123        1           0.009628051    0.001486732   -0.001961649
    124        1           0.008866042   -0.004792700    0.000703824
    125        1          -0.007710941   -0.006583421   -0.001519475
    126        1          -0.009117834   -0.000159736   -0.003707403
    127        1          -0.007351118    0.007905699   -0.003914327
    128        1          -0.000391658    0.009982617   -0.003948371
    129        1           0.008682809   -0.002662128    0.005497751
    130        1           0.005918671   -0.009251944    0.003582906
    131        1          -0.002048196   -0.009552902    0.001324560
    132        1          -0.007415367   -0.006762421   -0.001757823
    133        1          -0.005050460   -0.012507308    0.005077401
    134        1           0.006352320    0.010380790   -0.008169450
    135        1          -0.004944582   -0.003269748   -0.011602963
    136        1          -0.000241492    0.011940611   -0.000565940
    137        1          -0.008280712   -0.003793234    0.007186402
    138        1          -0.008284170    0.005805256   -0.007896429
    139        1           0.011693770    0.000768885    0.003852225
    140        1          -0.012108094   -0.001589524    0.000809666
    141        1           0.000840386    0.012055538    0.003819882
    142        1           0.005180304   -0.005718052    0.009747424
    143       17           0.000134215    0.003293441   -0.001895236
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.105661251 RMS     0.031120166

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.140384561 RMS     0.027931682
 Search for a local minimum.
 Step number   1 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Second derivative matrix not updated -- first step.
 ITU=  0
     Eigenvalues ---    0.00417   0.00421   0.01047   0.01529   0.01610
     Eigenvalues ---    0.01953   0.02372   0.02574   0.02590   0.02612
     Eigenvalues ---    0.02649   0.02658   0.02689   0.02694   0.02702
     Eigenvalues ---    0.02702   0.02706   0.02710   0.02712   0.02714
     Eigenvalues ---    0.02721   0.02722   0.02725   0.02726   0.02737
     Eigenvalues ---    0.02753   0.02766   0.02769   0.02770   0.02773
     Eigenvalues ---    0.02774   0.02781   0.02785   0.02789   0.02789
     Eigenvalues ---    0.02791   0.02791   0.02791   0.02792   0.02792
     Eigenvalues ---    0.02793   0.02793   0.02794   0.02794   0.02798
     Eigenvalues ---    0.02799   0.02801   0.02802   0.02805   0.02809
     Eigenvalues ---    0.02809   0.02811   0.02812   0.02813   0.02815
     Eigenvalues ---    0.02816   0.02816   0.02818   0.02820   0.02824
     Eigenvalues ---    0.02824   0.02824   0.02824   0.02825   0.02825
     Eigenvalues ---    0.02825   0.02825   0.02825   0.02825   0.02830
     Eigenvalues ---    0.02835   0.02846   0.02846   0.02847   0.02847
     Eigenvalues ---    0.02848   0.02849   0.02853   0.02858   0.02871
     Eigenvalues ---    0.02871   0.02872   0.02872   0.02875   0.02875
     Eigenvalues ---    0.02876   0.02877   0.02879   0.02879   0.02881
     Eigenvalues ---    0.02881   0.02881   0.02881   0.02884   0.02884
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02886   0.02886
     Eigenvalues ---    0.02886   0.02888   0.02898   0.02899   0.02899
     Eigenvalues ---    0.02908   0.02909   0.02909   0.02911   0.02911
     Eigenvalues ---    0.02912   0.02928   0.02928   0.02929   0.02949
     Eigenvalues ---    0.02963   0.02963   0.02964   0.02966   0.03024
     Eigenvalues ---    0.03024   0.03024   0.03133   0.03133   0.03134
     Eigenvalues ---    0.03145   0.03148   0.03149   0.03205   0.03922
     Eigenvalues ---    0.04101   0.04485   0.04671   0.05351   0.05535
     Eigenvalues ---    0.05535   0.05563   0.05569   0.05616   0.05926
     Eigenvalues ---    0.05932   0.06796   0.07901   0.08882   0.10530
     Eigenvalues ---    0.11270   0.12113   0.13698   0.14640   0.15900
     Eigenvalues ---    0.15904   0.15909   0.15932   0.15939   0.15944
     Eigenvalues ---    0.15973   0.15973   0.15974   0.15975   0.15976
     Eigenvalues ---    0.15976   0.15978   0.15979   0.15982   0.15982
     Eigenvalues ---    0.15983   0.15984   0.15985   0.15985   0.15985
     Eigenvalues ---    0.15990   0.15992   0.15993   0.15993   0.15993
     Eigenvalues ---    0.15993   0.15993   0.15994   0.15994   0.15995
     Eigenvalues ---    0.15996   0.15996   0.15997   0.15998   0.15998
     Eigenvalues ---    0.15998   0.15998   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16547   0.17631   0.18094   0.20232   0.20943
     Eigenvalues ---    0.21995   0.21995   0.21995   0.21995   0.21995
     Eigenvalues ---    0.21996   0.22007   0.22008   0.22008   0.22048
     Eigenvalues ---    0.22266   0.22361   0.22427   0.22588   0.22588
     Eigenvalues ---    0.22588   0.22593   0.22593   0.22594   0.22675
     Eigenvalues ---    0.22910   0.22912   0.22914   0.23377   0.23475
     Eigenvalues ---    0.23480   0.24001   0.24002   0.24003   0.24394
     Eigenvalues ---    0.24394   0.24397   0.24412   0.24447   0.24448
     Eigenvalues ---    0.24449   0.24591   0.24600   0.24811   0.24864
     Eigenvalues ---    0.24864   0.24866   0.24931   0.24931   0.24931
     Eigenvalues ---    0.24975   0.24980   0.24986   0.24989   0.24989
     Eigenvalues ---    0.24993   0.24998   0.24998   0.24998   0.24999
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.26343   0.29128   0.29763   0.29787   0.30153
     Eigenvalues ---    0.32004   0.32094   0.32127   0.32138   0.32145
     Eigenvalues ---    0.32147   0.32151   0.32189   0.33244   0.33247
     Eigenvalues ---    0.33253   0.33257   0.33264   0.33275   0.33290
     Eigenvalues ---    0.33367   0.33391   0.33391   0.33391   0.33417
     Eigenvalues ---    0.33418   0.33539   0.33556   0.33564   0.33574
     Eigenvalues ---    0.33582   0.33584   0.33589   0.33598   0.33635
     Eigenvalues ---    0.33636   0.33638   0.33642   0.33642   0.33663
     Eigenvalues ---    0.33716   0.33721   0.33814   0.33817   0.33825
     Eigenvalues ---    0.33836   0.33844   0.33867   0.33896   0.33898
     Eigenvalues ---    0.33940   0.33942   0.33950   0.33958   0.33959
     Eigenvalues ---    0.34212   0.34906   0.34920   0.39075   0.41492
     Eigenvalues ---    0.42246   0.43305   0.43305   0.43314   0.43551
     Eigenvalues ---    0.44342   0.44612   0.47311   0.48357   0.48376
     Eigenvalues ---    0.48384   0.48385   0.48546   0.48575   0.48636
     Eigenvalues ---    0.48646   0.49059   0.49925   0.49926   0.49931
     Eigenvalues ---    0.50068   0.50072   0.50077   0.50186   0.50249
     Eigenvalues ---    0.50286   0.50303   0.51480   0.51741   0.52282
     Eigenvalues ---    0.52527   0.52862   0.53073   0.53585   0.53696
     Eigenvalues ---    0.53730   0.53739   0.53977   0.53980   0.53982
     Eigenvalues ---    0.54269   0.54449   0.55064   0.55305   0.55328
     Eigenvalues ---    0.55340   0.55350   0.55350   0.55367   0.55398
     Eigenvalues ---    0.55430   0.55462   0.55531   0.55606   0.55706
     Eigenvalues ---    0.55738   0.55741   0.55794   0.55901   0.55902
     Eigenvalues ---    0.55914   0.56107   0.56110   0.56113   0.56253
     Eigenvalues ---    0.56258   0.56303   0.56317   0.56655   0.56657
     Eigenvalues ---    0.56658   0.56668   0.56669   0.56680   0.56701
     Eigenvalues ---    0.56842   0.56860   0.56864   0.57035   0.57170
     Eigenvalues ---    0.57172   0.57185   0.57191   0.57193   0.57211
     Eigenvalues ---    0.59666   0.65947   0.65947   0.65964   0.67371
     Eigenvalues ---    0.67377   0.67388   0.70016   0.70072   0.70106
     Eigenvalues ---    0.73348   0.77257   0.79919
 RFO step:  Lambda=-5.89496654D-01 EMin= 4.17394226D-03
 Linear search not attempted -- first point.
 Maximum step size (   0.300) exceeded in Quadratic search.
    -- Step size scaled by   0.423
 Iteration  1 RMS(Cart)=  0.08250840 RMS(Int)=  0.00007117
 Iteration  2 RMS(Cart)=  0.00034058 RMS(Int)=  0.00001426
 Iteration  3 RMS(Cart)=  0.00000003 RMS(Int)=  0.00001426
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.55466   0.05641   0.00000   0.02095   0.02095   2.57561
    R2        2.54219   0.07883   0.00000   0.02895   0.02895   2.57114
    R3        2.57630   0.10783   0.00000   0.04099   0.04099   2.61729
    R4        2.56142   0.05396   0.00000   0.02020   0.02020   2.58162
    R5        2.05804  -0.00401   0.00000  -0.00181  -0.00181   2.05624
    R6        2.54481   0.08064   0.00000   0.03019   0.03019   2.57500
    R7        2.56521   0.10229   0.00000   0.03871   0.03871   2.60392
    R8        2.54797   0.06225   0.00000   0.02307   0.02307   2.57104
    R9        2.55585   0.10969   0.00000   0.04107   0.04108   2.59692
   R10        2.53128   0.04993   0.00000   0.01817   0.01817   2.54945
   R11        2.08545  -0.01400   0.00000  -0.00642  -0.00642   2.07903
   R12        2.07804  -0.00963   0.00000  -0.00439  -0.00439   2.07364
   R13        2.56048   0.08656   0.00000   0.03217   0.03216   2.59264
   R14        2.56128   0.04937   0.00000   0.01841   0.01841   2.57969
   R15        2.57192   0.08112   0.00000   0.03027   0.03027   2.60219
   R16        2.54236   0.07532   0.00000   0.02772   0.02772   2.57008
   R17        2.55925   0.10377   0.00000   0.03794   0.03794   2.59718
   R18        2.50875   0.06762   0.00000   0.02348   0.02347   2.53221
   R19        5.70162  -0.00455   0.00000  -0.00304  -0.00306   5.69856
   R20        2.39175   0.08570   0.00000   0.02726   0.02726   2.41902
   R21        2.55088   0.06416   0.00000   0.02376   0.02376   2.57464
   R22        2.05827  -0.00488   0.00000  -0.00220  -0.00220   2.05607
   R23        2.53784   0.08124   0.00000   0.02981   0.02981   2.56765
   R24        2.57398   0.10414   0.00000   0.03950   0.03950   2.61349
   R25        2.52883   0.04467   0.00000   0.01629   0.01629   2.54512
   R26        2.07811  -0.01008   0.00000  -0.00460  -0.00460   2.07351
   R27        2.06974  -0.00837   0.00000  -0.00380  -0.00380   2.06594
   R28        2.49184   0.08589   0.00000   0.02917   0.02917   2.52101
   R29        3.36281   0.00725   0.00000   0.00366   0.00366   3.36646
   R30        5.75230   0.00866   0.00000   0.00428   0.00432   5.75661
   R31        2.53444   0.08987   0.00000   0.03364   0.03365   2.56809
   R32        2.54668   0.06451   0.00000   0.02374   0.02374   2.57042
   R33        2.37866   0.11900   0.00000   0.03748   0.03749   2.41616
   R34        2.54666   0.07141   0.00000   0.02658   0.02658   2.57325
   R35        2.53768   0.04825   0.00000   0.01746   0.01745   2.55514
   R36        2.07646  -0.00844   0.00000  -0.00385  -0.00385   2.07261
   R37        2.54653   0.08324   0.00000   0.03060   0.03060   2.57713
   R38        2.07951  -0.01031   0.00000  -0.00471  -0.00471   2.07480
   R39        2.54887   0.05514   0.00000   0.02049   0.02049   2.56936
   R40        2.57083   0.11030   0.00000   0.04171   0.04171   2.61254
   R41        2.07939  -0.01172   0.00000  -0.00535  -0.00535   2.07404
   R42        2.54862   0.06808   0.00000   0.02517   0.02517   2.57379
   R43        2.54915   0.06779   0.00000   0.02507   0.02507   2.57422
   R44        2.54827   0.06893   0.00000   0.02547   0.02547   2.57374
   R45        2.54956   0.06840   0.00000   0.02531   0.02531   2.57487
   R46        2.54672   0.06884   0.00000   0.02541   0.02541   2.57213
   R47        2.54725   0.06863   0.00000   0.02534   0.02534   2.57260
   R48        2.53963   0.04936   0.00000   0.01811   0.01811   2.55774
   R49        2.07902  -0.00998   0.00000  -0.00456  -0.00456   2.07446
   R50        2.54753   0.07043   0.00000   0.02607   0.02607   2.57360
   R51        2.07626  -0.01079   0.00000  -0.00492  -0.00492   2.07134
   R52        2.54816   0.07036   0.00000   0.02605   0.02605   2.57421
   R53        2.43796   0.13671   0.00000   0.04482   0.04482   2.48278
   R54        2.54024   0.04922   0.00000   0.01806   0.01806   2.55829
   R55        2.07641  -0.01085   0.00000  -0.00495  -0.00495   2.07146
   R56        2.07945  -0.00956   0.00000  -0.00437  -0.00437   2.07509
   R57        2.54013   0.05055   0.00000   0.01855   0.01855   2.55868
   R58        2.07939  -0.01006   0.00000  -0.00460  -0.00460   2.07479
   R59        2.54732   0.06967   0.00000   0.02578   0.02578   2.57310
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   R109       2.54088   0.05413   0.00000   0.01983   0.01983   2.56071
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   R117       2.08116  -0.00977   0.00000  -0.00447  -0.00447   2.07669
   R118       2.53385   0.07033   0.00000   0.02551   0.02550   2.55935
   R119       2.08323  -0.00960   0.00000  -0.00440  -0.00440   2.07883
   R120       2.54127   0.05404   0.00000   0.01980   0.01980   2.56107
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   R122       2.07505  -0.00940   0.00000  -0.00428  -0.00428   2.07077
   R123       2.54079   0.05424   0.00000   0.01988   0.01987   2.56066
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   R125       2.53354   0.07038   0.00000   0.02553   0.02553   2.55906
   R126       2.08620  -0.01106   0.00000  -0.00507  -0.00507   2.08113
   R127       2.53206   0.05918   0.00000   0.02146   0.02145   2.55351
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   R129       2.08042  -0.00954   0.00000  -0.00436  -0.00436   2.07606
   R130       2.53184   0.05924   0.00000   0.02147   0.02147   2.55331
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   R132       2.53380   0.07031   0.00000   0.02550   0.02550   2.55930
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    A4        2.21985  -0.01107   0.00000  -0.00577  -0.00577   2.21407
    A5        2.00833   0.00899   0.00000   0.00484   0.00484   2.01317
    A6        2.05462   0.00209   0.00000   0.00094   0.00094   2.05557
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    A8        2.17608  -0.00669   0.00000  -0.00360  -0.00360   2.17247
    A9        2.05991   0.00164   0.00000   0.00110   0.00109   2.06100
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   A11        2.11160  -0.00120   0.00000  -0.00047  -0.00046   2.11114
   A12        2.12201  -0.00075   0.00000  -0.00061  -0.00062   2.12139
   A13        2.14756  -0.00549   0.00000  -0.00268  -0.00267   2.14489
   A14        2.13980  -0.00795   0.00000  -0.00469  -0.00469   2.13510
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   A18        1.99832   0.00559   0.00000   0.00311   0.00311   2.00143
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   A21        2.05803  -0.00283   0.00000  -0.00143  -0.00143   2.05660
   A22        2.14960  -0.00632   0.00000  -0.00448  -0.00450   2.14510
   A23        1.98682   0.01051   0.00000   0.00586   0.00587   1.99269
   A24        2.14368  -0.00416   0.00000  -0.00136  -0.00135   2.14232
   A25        2.00428   0.01144   0.00000   0.00708   0.00708   2.01136
   A26        2.22698  -0.01215   0.00000  -0.00673  -0.00672   2.22026
   A27        1.80715   0.00584   0.00000   0.00275   0.00277   1.80992
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   A29        1.51190  -0.00394   0.00000  -0.00288  -0.00289   1.50901
   A30        2.14042  -0.01120   0.00000  -0.00575  -0.00574   2.13468
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   A38        2.15158  -0.00263   0.00000  -0.00132  -0.00132   2.15026
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   A41        2.00827   0.00522   0.00000   0.00284   0.00284   2.01112
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   A43        2.11426  -0.00013   0.00000  -0.00033  -0.00033   2.11393
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   A45        2.05856   0.01390   0.00000   0.00600   0.00598   2.06454
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   A47        2.03061  -0.00246   0.00000  -0.00033  -0.00034   2.03027
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   A49        1.54696   0.00605   0.00000   0.00274   0.00273   1.54969
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   A118       2.11689  -0.00026   0.00000  -0.00038  -0.00038   2.11651
   A119       1.98434   0.00955   0.00000   0.00515   0.00515   1.98950
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   A121       2.13096  -0.00340   0.00000  -0.00197  -0.00197   2.12899
   A122       1.99373   0.00526   0.00000   0.00291   0.00291   1.99664
   A123       2.21575  -0.00326   0.00000  -0.00270  -0.00271   2.21305
   A124       2.21154  -0.00185   0.00000  -0.00199  -0.00199   2.20954
   A125       1.85589   0.00511   0.00000   0.00469   0.00470   1.86059
   A126       2.21003  -0.00168   0.00000  -0.00192  -0.00192   2.20811
   A127       2.21513  -0.00283   0.00000  -0.00250  -0.00251   2.21263
   A128       1.85797   0.00451   0.00000   0.00442   0.00443   1.86240
   A129       2.21539  -0.00309   0.00000  -0.00262  -0.00263   2.21277
   A130       2.20999  -0.00146   0.00000  -0.00179  -0.00180   2.20818
   A131       1.85779   0.00455   0.00000   0.00441   0.00443   1.86221
   A132       1.93480  -0.01302   0.00000  -0.00595  -0.00594   1.92886
   A133       2.34015  -0.00439   0.00000  -0.00267  -0.00268   2.33746
   A134       2.00409   0.01736   0.00000   0.00859   0.00859   2.01268
   A135       1.84825   0.01081   0.00000   0.00375   0.00374   1.85199
   A136       2.18089  -0.02065   0.00000  -0.00945  -0.00944   2.17145
   A137       2.25395   0.00984   0.00000   0.00570   0.00570   2.25965
   A138       1.84836   0.01070   0.00000   0.00370   0.00369   1.85204
   A139       2.25485   0.00993   0.00000   0.00574   0.00573   2.26058
   A140       2.17995  -0.02063   0.00000  -0.00944  -0.00942   2.17054
   A141       1.93526  -0.01299   0.00000  -0.00592  -0.00591   1.92934
   A142       2.33808  -0.00402   0.00000  -0.00251  -0.00252   2.33556
   A143       2.00609   0.01695   0.00000   0.00839   0.00840   2.01449
   A144       1.93632  -0.01303   0.00000  -0.00598  -0.00598   1.93034
   A145       2.33890  -0.00421   0.00000  -0.00257  -0.00258   2.33632
   A146       2.00423   0.01719   0.00000   0.00852   0.00853   2.01275
   A147       1.84768   0.01075   0.00000   0.00374   0.00373   1.85141
   A148       2.18131  -0.02078   0.00000  -0.00953  -0.00952   2.17180
   A149       2.25415   0.01003   0.00000   0.00579   0.00578   2.25994
   A150       1.84799   0.01060   0.00000   0.00369   0.00368   1.85167
   A151       2.25370   0.01019   0.00000   0.00583   0.00582   2.25952
   A152       2.18143  -0.02079   0.00000  -0.00952  -0.00950   2.17193
   A153       1.93676  -0.01342   0.00000  -0.00613  -0.00613   1.93064
   A154       2.33796  -0.00363   0.00000  -0.00233  -0.00234   2.33562
   A155       2.00438   0.01700   0.00000   0.00843   0.00844   2.01282
   A156       1.93474  -0.01269   0.00000  -0.00580  -0.00580   1.92894
   A157       2.34008  -0.00454   0.00000  -0.00274  -0.00275   2.33732
   A158       2.00465   0.01718   0.00000   0.00851   0.00852   2.01317
   A159       1.84843   0.01066   0.00000   0.00368   0.00367   1.85210
   A160       2.18072  -0.02071   0.00000  -0.00948  -0.00947   2.17125
   A161       2.25400   0.01005   0.00000   0.00580   0.00579   2.25979
   A162       1.84841   0.01055   0.00000   0.00365   0.00364   1.85205
   A163       2.25394   0.01008   0.00000   0.00578   0.00577   2.25972
   A164       2.18075  -0.02063   0.00000  -0.00944  -0.00942   2.17134
   A165       1.93525  -0.01305   0.00000  -0.00594  -0.00593   1.92932
   A166       2.33928  -0.00405   0.00000  -0.00253  -0.00254   2.33674
   A167       2.00447   0.01705   0.00000   0.00844   0.00845   2.01292
   A168       2.06356   0.00529   0.00000   0.00262   0.00263   2.06619
   A169       2.12929  -0.00621   0.00000  -0.00332  -0.00333   2.12597
   A170       2.09025   0.00092   0.00000   0.00070   0.00070   2.09095
   A171       2.07728   0.00450   0.00000   0.00196   0.00195   2.07923
   A172       2.10192  -0.00204   0.00000  -0.00086  -0.00086   2.10107
   A173       2.10315  -0.00243   0.00000  -0.00109  -0.00108   2.10207
   A174       2.11218   0.00372   0.00000   0.00162   0.00161   2.11378
   A175       2.07741   0.00129   0.00000   0.00097   0.00098   2.07838
   A176       2.09309  -0.00498   0.00000  -0.00257  -0.00256   2.09053
   A177       2.12357  -0.00983   0.00000  -0.00516  -0.00516   2.11841
   A178       2.16015  -0.00064   0.00000  -0.00056  -0.00055   2.15960
   A179       1.99812   0.01047   0.00000   0.00571   0.00572   2.00384
   A180       2.12489  -0.01015   0.00000  -0.00533  -0.00534   2.11955
   A181       2.16187  -0.00069   0.00000  -0.00058  -0.00058   2.16129
   A182       1.99493   0.01084   0.00000   0.00592   0.00592   2.00085
   A183       2.11231   0.00377   0.00000   0.00166   0.00165   2.11396
   A184       2.09346  -0.00514   0.00000  -0.00267  -0.00266   2.09080
   A185       2.07681   0.00140   0.00000   0.00103   0.00103   2.07785
   A186       2.07678   0.00452   0.00000   0.00199   0.00198   2.07876
   A187       2.10314  -0.00240   0.00000  -0.00107  -0.00107   2.10207
   A188       2.10236  -0.00210   0.00000  -0.00090  -0.00090   2.10146
   A189       2.06388   0.00514   0.00000   0.00254   0.00255   2.06642
   A190       2.12950  -0.00620   0.00000  -0.00332  -0.00332   2.12617
   A191       2.08967   0.00107   0.00000   0.00078   0.00078   2.09044
   A192       2.06328   0.00537   0.00000   0.00267   0.00267   2.06595
   A193       2.12983  -0.00630   0.00000  -0.00338  -0.00338   2.12645
   A194       2.08997   0.00094   0.00000   0.00071   0.00070   2.09068
   A195       2.07692   0.00447   0.00000   0.00194   0.00193   2.07884
   A196       2.10242  -0.00208   0.00000  -0.00088  -0.00087   2.10155
   A197       2.10297  -0.00236   0.00000  -0.00104  -0.00104   2.10193
   A198       2.11199   0.00395   0.00000   0.00173   0.00171   2.11370
   A199       2.07766   0.00118   0.00000   0.00092   0.00093   2.07859
   A200       2.09300  -0.00510   0.00000  -0.00263  -0.00262   2.09038
   A201       2.12465  -0.01000   0.00000  -0.00524  -0.00525   2.11940
   A202       2.16274  -0.00092   0.00000  -0.00072  -0.00072   2.16203
   A203       1.99435   0.01093   0.00000   0.00597   0.00597   2.00032
   A204       2.12443  -0.00996   0.00000  -0.00523  -0.00524   2.11919
   A205       2.16129  -0.00079   0.00000  -0.00064  -0.00064   2.16065
   A206       1.99612   0.01075   0.00000   0.00587   0.00588   2.00199
   A207       2.11275   0.00367   0.00000   0.00161   0.00159   2.11434
   A208       2.09139  -0.00479   0.00000  -0.00247  -0.00246   2.08893
   A209       2.07856   0.00114   0.00000   0.00088   0.00089   2.07945
   A210       2.07689   0.00444   0.00000   0.00194   0.00193   2.07882
   A211       2.10367  -0.00244   0.00000  -0.00110  -0.00109   2.10258
   A212       2.10182  -0.00198   0.00000  -0.00083  -0.00083   2.10099
   A213       2.06321   0.00544   0.00000   0.00269   0.00270   2.06590
   A214       2.12840  -0.00617   0.00000  -0.00329  -0.00330   2.12510
   A215       2.09149   0.00073   0.00000   0.00060   0.00060   2.09209
   A216       2.06394   0.00515   0.00000   0.00256   0.00257   2.06651
   A217       2.12877  -0.00610   0.00000  -0.00327  -0.00327   2.12549
   A218       2.09035   0.00095   0.00000   0.00071   0.00070   2.09105
   A219       2.07689   0.00446   0.00000   0.00194   0.00194   2.07882
   A220       2.10231  -0.00206   0.00000  -0.00087  -0.00087   2.10144
   A221       2.10301  -0.00237   0.00000  -0.00105  -0.00105   2.10196
   A222       2.11183   0.00397   0.00000   0.00174   0.00173   2.11355
   A223       2.07738   0.00123   0.00000   0.00094   0.00095   2.07833
   A224       2.09337  -0.00516   0.00000  -0.00266  -0.00265   2.09072
   A225       2.12466  -0.01000   0.00000  -0.00525  -0.00526   2.11940
   A226       2.16231  -0.00083   0.00000  -0.00066  -0.00066   2.16165
   A227       1.99473   0.01083   0.00000   0.00592   0.00592   2.00065
   A228       2.12431  -0.00993   0.00000  -0.00522  -0.00523   2.11909
   A229       2.16133  -0.00073   0.00000  -0.00060  -0.00060   2.16074
   A230       1.99617   0.01067   0.00000   0.00583   0.00583   2.00200
   A231       2.11256   0.00371   0.00000   0.00162   0.00160   2.11416
   A232       2.09353  -0.00511   0.00000  -0.00265  -0.00264   2.09089
   A233       2.07655   0.00143   0.00000   0.00105   0.00105   2.07760
   A234       2.07668   0.00454   0.00000   0.00200   0.00199   2.07867
   A235       2.10347  -0.00246   0.00000  -0.00110  -0.00110   2.10237
   A236       2.10219  -0.00206   0.00000  -0.00088  -0.00087   2.10132
   A237       2.06390   0.00519   0.00000   0.00258   0.00258   2.06649
   A238       2.12932  -0.00620   0.00000  -0.00332  -0.00332   2.12599
   A239       2.08987   0.00101   0.00000   0.00075   0.00074   2.09061
   A240       2.05444  -0.00726   0.00000  -0.00400  -0.00396   2.05048
   A241       2.09163  -0.02363   0.00000  -0.01316  -0.01315   2.07848
   A242       1.93487  -0.03817   0.00000  -0.02104  -0.02107   1.91380
   A243       1.80035   0.02726   0.00000   0.01587   0.01580   1.81615
   A244       1.91000   0.02579   0.00000   0.01402   0.01387   1.92386
   A245       1.62060   0.02844   0.00000   0.01502   0.01483   1.63543
   A246       2.13973   0.00405   0.00000   0.00278   0.00279   2.14252
   A247       2.09444  -0.00899   0.00000  -0.00453  -0.00453   2.08991
   A248       1.89516  -0.00177   0.00000  -0.00109  -0.00108   1.89408
   A249       1.91419   0.00044   0.00000   0.00027   0.00026   1.91445
   A250       1.90638  -0.00073   0.00000  -0.00041  -0.00040   1.90597
   A251       1.90421  -0.00030   0.00000  -0.00007  -0.00007   1.90414
   A252       1.91313   0.00395   0.00000   0.00228   0.00228   1.91541
   A253       1.93042  -0.00159   0.00000  -0.00099  -0.00098   1.92943
   A254       1.93542  -0.00365   0.00000  -0.00208  -0.00208   1.93334
   A255       1.94073   0.00022   0.00000   0.00013   0.00013   1.94086
   A256       1.93738   0.00117   0.00000   0.00068   0.00068   1.93805
   A257       1.88215   0.00141   0.00000   0.00077   0.00077   1.88291
   A258       1.88227   0.00125   0.00000   0.00070   0.00070   1.88297
   A259       1.88355  -0.00028   0.00000  -0.00012  -0.00012   1.88343
   A260       1.89739  -0.00517   0.00000  -0.00265  -0.00264   1.89475
   A261       1.91168   0.00105   0.00000   0.00048   0.00048   1.91215
   A262       1.91883   0.00112   0.00000   0.00055   0.00055   1.91938
   A263       1.91780   0.00286   0.00000   0.00159   0.00159   1.91939
   A264       1.91137   0.00371   0.00000   0.00211   0.00211   1.91347
   A265       1.90676  -0.00354   0.00000  -0.00206  -0.00207   1.90470
   A266       1.94068  -0.00004   0.00000  -0.00002  -0.00002   1.94066
   A267       1.93623  -0.00350   0.00000  -0.00199  -0.00199   1.93425
   A268       1.93812   0.00035   0.00000   0.00021   0.00020   1.93833
   A269       1.88174   0.00163   0.00000   0.00090   0.00090   1.88264
   A270       1.88294   0.00021   0.00000   0.00014   0.00014   1.88308
   A271       1.88170   0.00153   0.00000   0.00086   0.00086   1.88255
   A272       1.81540   0.00546   0.00000   0.00278   0.00278   1.81817
   A273       1.75492  -0.00029   0.00000  -0.00029  -0.00030   1.75462
   A274       1.55369   0.00679   0.00000   0.00169   0.00168   1.55537
   A275       1.77986   0.00461   0.00000   0.00072   0.00071   1.78058
   A276       1.11534  -0.00504   0.00000  -0.00239  -0.00239   1.11295
   A277       1.37976  -0.00669   0.00000  -0.00337  -0.00337   1.37640
   A278       0.60031  -0.00375   0.00000  -0.00174  -0.00173   0.59857
    D1       -0.01363   0.00049   0.00000   0.00031   0.00031  -0.01332
    D2       -3.12440  -0.00008   0.00000  -0.00009  -0.00009  -3.12449
    D3        3.10703   0.00089   0.00000   0.00058   0.00058   3.10761
    D4       -0.00374   0.00031   0.00000   0.00018   0.00018  -0.00357
    D5        0.02779  -0.00028   0.00000  -0.00022  -0.00022   0.02757
    D6        3.13396   0.00028   0.00000   0.00017   0.00017   3.13413
    D7       -3.09330  -0.00053   0.00000  -0.00041  -0.00041  -3.09370
    D8        0.01287   0.00004   0.00000  -0.00002  -0.00002   0.01285
    D9        3.07555  -0.00153   0.00000  -0.00103  -0.00103   3.07452
   D10       -0.07952  -0.00113   0.00000  -0.00077  -0.00077  -0.08029
   D11       -0.08894  -0.00101   0.00000  -0.00070  -0.00070  -0.08963
   D12        3.03918  -0.00061   0.00000  -0.00044  -0.00044   3.03874
   D13       -0.01819  -0.00002   0.00000  -0.00000  -0.00000  -0.01819
   D14       -3.09866   0.00020   0.00000   0.00010   0.00009  -3.09857
   D15        3.09187   0.00067   0.00000   0.00046   0.00046   3.09233
   D16        0.01140   0.00088   0.00000   0.00056   0.00055   0.01195
   D17        0.03520  -0.00027   0.00000  -0.00023  -0.00023   0.03497
   D18       -3.12676  -0.00013   0.00000  -0.00014  -0.00014  -3.12691
   D19        3.11986  -0.00079   0.00000  -0.00050  -0.00049   3.11937
   D20       -0.04210  -0.00064   0.00000  -0.00041  -0.00041  -0.04251
   D21        3.02873   0.00031   0.00000   0.00017   0.00017   3.02890
   D22       -0.12986   0.00170   0.00000   0.00110   0.00110  -0.12877
   D23       -0.05129   0.00042   0.00000   0.00023   0.00023  -0.05106
   D24        3.07330   0.00181   0.00000   0.00115   0.00115   3.07446
   D25       -0.02268   0.00058   0.00000   0.00037   0.00037  -0.02232
   D26        3.12515   0.00011   0.00000   0.00004   0.00004   3.12519
   D27        3.13941   0.00043   0.00000   0.00028   0.00028   3.13969
   D28        0.00405  -0.00004   0.00000  -0.00004  -0.00004   0.00401
   D29        0.02351  -0.00120   0.00000  -0.00074  -0.00074   0.02277
   D30        3.12168  -0.00006   0.00000  -0.00005  -0.00005   3.12163
   D31       -3.13930  -0.00102   0.00000  -0.00064  -0.00063  -3.13994
   D32       -0.04114   0.00012   0.00000   0.00006   0.00006  -0.04108
   D33       -0.01105   0.00008   0.00000   0.00003   0.00003  -0.01103
   D34       -3.12012  -0.00024   0.00000  -0.00021  -0.00021  -3.12033
   D35        3.12477   0.00045   0.00000   0.00029   0.00029   3.12506
   D36        0.01571   0.00013   0.00000   0.00005   0.00005   0.01576
   D37        0.17231   0.00116   0.00000   0.00058   0.00057   0.17288
   D38       -2.88699   0.00095   0.00000   0.00042   0.00041  -2.88657
   D39       -2.95307  -0.00017   0.00000  -0.00031  -0.00032  -2.95339
   D40        0.27082  -0.00038   0.00000  -0.00047  -0.00047   0.27035
   D41        3.04825  -0.00071   0.00000  -0.00052  -0.00052   3.04773
   D42       -0.11057   0.00020   0.00000   0.00008   0.00008  -0.11049
   D43       -0.11008   0.00074   0.00000   0.00043   0.00043  -0.10966
   D44        3.01429   0.00164   0.00000   0.00103   0.00103   3.01531
   D45       -0.18373  -0.00334   0.00000  -0.00203  -0.00203  -0.18576
   D46        2.92876  -0.00162   0.00000  -0.00054  -0.00054   2.92821
   D47        1.43184  -0.00204   0.00000  -0.00213  -0.00212   1.42972
   D48        2.86826  -0.00245   0.00000  -0.00154  -0.00155   2.86671
   D49       -0.30244  -0.00073   0.00000  -0.00005  -0.00006  -0.30250
   D50       -1.79936  -0.00115   0.00000  -0.00164  -0.00163  -1.80099
   D51       -0.24393   0.00241   0.00000   0.00153   0.00153  -0.24240
   D52        2.85863   0.00080   0.00000   0.00042   0.00042   2.85904
   D53        2.97965   0.00232   0.00000   0.00154   0.00154   2.98119
   D54       -0.20098   0.00071   0.00000   0.00043   0.00043  -0.20055
   D55        0.08528   0.00367   0.00000   0.00226   0.00227   0.08755
   D56       -3.01020   0.00215   0.00000   0.00133   0.00134  -3.00887
   D57       -3.03030   0.00239   0.00000   0.00106   0.00106  -3.02924
   D58        0.15740   0.00086   0.00000   0.00013   0.00013   0.15753
   D59       -1.71880  -0.00151   0.00000   0.00021   0.00020  -1.71860
   D60        1.46890  -0.00304   0.00000  -0.00073  -0.00073   1.46817
   D61        2.96092  -0.00243   0.00000  -0.00178  -0.00177   2.95915
   D62       -0.34861  -0.00325   0.00000  -0.00239  -0.00239  -0.35100
   D63       -0.21046  -0.00052   0.00000  -0.00015  -0.00015  -0.21061
   D64        2.76319  -0.00134   0.00000  -0.00076  -0.00077   2.76242
   D65        2.31952  -0.01351   0.00000  -0.00662  -0.00662   2.31290
   D66        1.75958  -0.01062   0.00000  -0.00519  -0.00519   1.75439
   D67       -1.96097  -0.00240   0.00000   0.00011   0.00011  -1.96086
   D68       -2.52091   0.00049   0.00000   0.00154   0.00154  -2.51937
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   D291      -0.08516  -0.00032   0.00000  -0.00018  -0.00018  -0.08535
   D292      -3.09919   0.00012   0.00000   0.00013   0.00013  -3.09906
   D293       0.02650   0.00014   0.00000   0.00013   0.00013   0.02664
   D294       0.02768  -0.00006   0.00000   0.00002   0.00002   0.02770
   D295      -3.12981  -0.00005   0.00000   0.00003   0.00003  -3.12978
   D296       3.11996  -0.00100   0.00000  -0.00060  -0.00059   3.11936
   D297       0.03929  -0.00143   0.00000  -0.00088  -0.00088   0.03841
   D298       0.08637   0.00018   0.00000   0.00001   0.00002   0.08639
   D299      -2.99430  -0.00026   0.00000  -0.00027  -0.00027  -2.99457
   D300       0.01356  -0.00040   0.00000  -0.00026  -0.00026   0.01330
   D301      -3.13697  -0.00057   0.00000  -0.00035  -0.00035  -3.13732
   D302      -3.04873   0.00052   0.00000   0.00029   0.00029  -3.04844
   D303       0.08393   0.00034   0.00000   0.00019   0.00020   0.08413
   D304      -3.12314   0.00102   0.00000   0.00063   0.00062  -3.12251
   D305      -0.04085   0.00143   0.00000   0.00089   0.00089  -0.03997
   D306      -0.08477  -0.00021   0.00000  -0.00004  -0.00004  -0.08482
   D307       2.99751   0.00019   0.00000   0.00022   0.00022   2.99773
   D308      -0.01651   0.00010   0.00000   0.00017   0.00018  -0.01634
   D309       3.13836   0.00046   0.00000   0.00035   0.00035   3.13871
   D310       3.13452   0.00050   0.00000   0.00038   0.00038   3.13491
   D311       0.00621   0.00086   0.00000   0.00055   0.00056   0.00677
   D312      -0.02849   0.00010   0.00000  -0.00000  -0.00000  -0.02849
   D313       3.12798   0.00010   0.00000   0.00000   0.00000   3.12799
   D314       3.10203  -0.00018   0.00000  -0.00016  -0.00016   3.10187
   D315      -0.02469  -0.00018   0.00000  -0.00015  -0.00015  -0.02484
   D316       0.01471  -0.00041   0.00000  -0.00027  -0.00027   0.01444
   D317      -3.04279   0.00037   0.00000   0.00019   0.00019  -3.04259
   D318      -3.13945  -0.00048   0.00000  -0.00030  -0.00030  -3.13974
   D319       0.08624   0.00031   0.00000   0.00017   0.00017   0.08641
   D320       3.09828  -0.00010   0.00000  -0.00011  -0.00011   3.09817
   D321      -0.02599  -0.00013   0.00000  -0.00013  -0.00013  -0.02612
   D322      -0.02773   0.00006   0.00000  -0.00002  -0.00003  -0.02775
   D323       3.13118   0.00003   0.00000  -0.00004  -0.00004   3.13114
   D324      -3.12054   0.00102   0.00000   0.00061   0.00061  -3.11993
   D325      -0.04079   0.00142   0.00000   0.00087   0.00087  -0.03992
   D326      -0.08832  -0.00012   0.00000   0.00002   0.00002  -0.08830
   D327       2.99143   0.00028   0.00000   0.00029   0.00029   2.99171
   D328       0.03123  -0.00032   0.00000  -0.00015  -0.00015   0.03108
   D329       3.12918   0.00031   0.00000   0.00025   0.00025   3.12943
   D330      -3.09708  -0.00021   0.00000  -0.00008  -0.00008  -3.09716
   D331       0.00087   0.00042   0.00000   0.00032   0.00032   0.00119
   D332      -0.02757  -0.00033   0.00000  -0.00020  -0.00020  -0.02777
   D333       3.07963   0.00051   0.00000   0.00035   0.00035   3.07997
   D334      -3.12549  -0.00097   0.00000  -0.00061  -0.00061  -3.12610
   D335      -0.01829  -0.00013   0.00000  -0.00006  -0.00006  -0.01835
   D336      -0.03502   0.00079   0.00000   0.00051   0.00051  -0.03451
   D337       3.05284   0.00083   0.00000   0.00055   0.00055   3.05339
   D338       3.14127  -0.00018   0.00000  -0.00012  -0.00012   3.14116
   D339      -0.05405  -0.00015   0.00000  -0.00007  -0.00007  -0.05412
   D340      -0.03411   0.00077   0.00000   0.00049   0.00049  -0.03361
   D341      -3.13803  -0.00026   0.00000  -0.00017  -0.00017  -3.13820
   D342       3.05079   0.00087   0.00000   0.00058   0.00058   3.05137
   D343      -0.05313  -0.00017   0.00000  -0.00009  -0.00009  -0.05321
   D344      -0.02606  -0.00039   0.00000  -0.00024  -0.00024  -0.02631
   D345      -3.12186  -0.00104   0.00000  -0.00066  -0.00066  -3.12252
   D346       3.07821   0.00050   0.00000   0.00034   0.00034   3.07855
   D347      -0.01759  -0.00015   0.00000  -0.00007  -0.00007  -0.01767
   D348       0.02876  -0.00026   0.00000  -0.00011  -0.00011   0.02866
   D349      -3.09472  -0.00025   0.00000  -0.00011  -0.00011  -3.09482
   D350       3.12459   0.00039   0.00000   0.00030   0.00030   3.12489
   D351       0.00111   0.00039   0.00000   0.00030   0.00030   0.00141
   D352       0.03178  -0.00034   0.00000  -0.00017  -0.00017   0.03161
   D353       3.12852   0.00033   0.00000   0.00026   0.00026   3.12878
   D354      -3.09429  -0.00029   0.00000  -0.00013  -0.00013  -3.09442
   D355       0.00245   0.00038   0.00000   0.00030   0.00030   0.00275
   D356      -0.02854  -0.00031   0.00000  -0.00019  -0.00019  -0.02873
   D357       3.07800   0.00055   0.00000   0.00037   0.00037   3.07837
   D358      -3.12527  -0.00099   0.00000  -0.00062  -0.00062  -3.12589
   D359      -0.01873  -0.00013   0.00000  -0.00006  -0.00006  -0.01879
   D360      -0.03401   0.00077   0.00000   0.00049   0.00049  -0.03352
   D361       3.05212   0.00085   0.00000   0.00057   0.00057   3.05270
   D362      -3.14024  -0.00023   0.00000  -0.00015  -0.00015  -3.14039
   D363      -0.05410  -0.00015   0.00000  -0.00007  -0.00007  -0.05417
   D364      -0.03320   0.00075   0.00000   0.00048   0.00048  -0.03272
   D365      -3.14125  -0.00016   0.00000  -0.00010  -0.00010  -3.14135
   D366       3.05461   0.00076   0.00000   0.00051   0.00051   3.05512
   D367      -0.05343  -0.00014   0.00000  -0.00007  -0.00007  -0.05350
   D368      -0.02749  -0.00034   0.00000  -0.00021  -0.00021  -0.02770
   D369      -3.12608  -0.00094   0.00000  -0.00058  -0.00058  -3.12666
   D370       3.08079   0.00045   0.00000   0.00030   0.00031   3.08110
   D371      -0.01779  -0.00015   0.00000  -0.00007  -0.00007  -0.01786
   D372       0.03016  -0.00030   0.00000  -0.00014  -0.00014   0.03002
   D373      -3.09757  -0.00020   0.00000  -0.00007  -0.00007  -3.09763
   D374       3.12879   0.00028   0.00000   0.00023   0.00023   3.12902
   D375       0.00107   0.00039   0.00000   0.00030   0.00030   0.00137
   D376      -0.03196   0.00035   0.00000   0.00017   0.00017  -0.03180
   D377      -3.12624  -0.00036   0.00000  -0.00029  -0.00029  -3.12653
   D378       3.09271   0.00031   0.00000   0.00014   0.00014   3.09285
   D379      -0.00157  -0.00040   0.00000  -0.00031  -0.00031  -0.00188
   D380       0.02786   0.00034   0.00000   0.00021   0.00021   0.02807
   D381      -3.07619  -0.00057   0.00000  -0.00039  -0.00039  -3.07658
   D382       3.12212   0.00106   0.00000   0.00067   0.00067   3.12279
   D383       0.01807   0.00015   0.00000   0.00007   0.00007   0.01814
   D384       0.03583  -0.00083   0.00000  -0.00054  -0.00054   0.03529
   D385      -3.04945  -0.00090   0.00000  -0.00060  -0.00060  -3.05005
   D386       3.13953   0.00022   0.00000   0.00014   0.00014   3.13968
   D387       0.05426   0.00016   0.00000   0.00008   0.00008   0.05434
   D388       0.03405  -0.00077   0.00000  -0.00049  -0.00049   0.03356
   D389       3.13956   0.00027   0.00000   0.00017   0.00017   3.13974
   D390      -3.05346  -0.00085   0.00000  -0.00057  -0.00057  -3.05403
   D391       0.05205   0.00018   0.00000   0.00010   0.00010   0.05215
   D392       0.02636   0.00037   0.00000   0.00023   0.00023   0.02659
   D393       3.12377   0.00102   0.00000   0.00064   0.00064   3.12442
   D394      -3.07951  -0.00052   0.00000  -0.00035  -0.00035  -3.07986
   D395       0.01791   0.00013   0.00000   0.00006   0.00006   0.01797
   D396      -0.02926   0.00027   0.00000   0.00012   0.00012  -0.02914
   D397       3.09780   0.00021   0.00000   0.00008   0.00008   3.09788
   D398      -3.12671  -0.00037   0.00000  -0.00029  -0.00029  -3.12700
   D399       0.00035  -0.00043   0.00000  -0.00033  -0.00033   0.00002
   D400       1.02730   0.00941   0.00000   0.00598   0.00597   1.03328
   D401      -1.29751   0.01272   0.00000   0.00707   0.00716  -1.29035
   D402       3.05328  -0.02552   0.00000  -0.01375  -0.01392   3.03936
   D403      -2.61823  -0.00262   0.00000  -0.00168  -0.00168  -2.61991
   D404      -0.32376  -0.02202   0.00000  -0.01254  -0.01268  -0.33643
   D405       1.50921   0.02170   0.00000   0.01220   0.01234   1.52155
   D406      -3.11993  -0.00684   0.00000  -0.00429  -0.00430  -3.12423
   D407      -1.04058  -0.00800   0.00000  -0.00487  -0.00488  -1.04546
   D408       1.07768  -0.01015   0.00000  -0.00617  -0.00619   1.07150
   D409      -3.13725   0.00021   0.00000   0.00012   0.00012  -3.13713
   D410      -1.04154   0.00118   0.00000   0.00074   0.00074  -1.04080
   D411       1.05380  -0.00182   0.00000  -0.00116  -0.00116   1.05264
   D412      -3.13792  -0.00016   0.00000  -0.00005  -0.00006  -3.13798
   D413      -1.04387  -0.00067   0.00000  -0.00039  -0.00039  -1.04426
   D414       1.05327  -0.00008   0.00000  -0.00000  -0.00001   1.05327
   D415       1.05966   0.00053   0.00000   0.00030   0.00030   1.05996
   D416      -3.12947   0.00002   0.00000  -0.00004  -0.00003  -3.12950
   D417      -1.03233   0.00060   0.00000   0.00035   0.00035  -1.03197
   D418      -1.05658   0.00021   0.00000   0.00014   0.00014  -1.05644
   D419       1.03748  -0.00030   0.00000  -0.00019  -0.00019   1.03729
   D420       3.13462   0.00029   0.00000   0.00019   0.00019   3.13481
   D421       1.53100  -0.00282   0.00000  -0.00178  -0.00178   1.52922
   D422      -2.67842  -0.00489   0.00000  -0.00298  -0.00298  -2.68140
   D423      -0.57274  -0.00118   0.00000  -0.00082  -0.00082  -0.57356
   D424      -1.55636   0.00038   0.00000   0.00040   0.00041  -1.55594
   D425       2.65240   0.00061   0.00000   0.00061   0.00061   2.65301
   D426       0.55204  -0.00056   0.00000  -0.00014  -0.00014   0.55189
   D427       1.04749   0.00006   0.00000   0.00003   0.00003   1.04752
   D428       3.14154  -0.00025   0.00000  -0.00017  -0.00017   3.14137
   D429      -1.04934  -0.00041   0.00000  -0.00027  -0.00027  -1.04962
   D430      -1.04442   0.00023   0.00000   0.00012   0.00012  -1.04430
   D431       1.04964  -0.00008   0.00000  -0.00009  -0.00009   1.04955
   D432      -3.14124  -0.00024   0.00000  -0.00019  -0.00019  -3.14144
   D433      -3.13892   0.00050   0.00000   0.00036   0.00036  -3.13856
   D434      -1.04487   0.00019   0.00000   0.00016   0.00016  -1.04471
   D435       1.04743   0.00003   0.00000   0.00005   0.00005   1.04748
   D436      -1.64836   0.00074   0.00000   0.00086   0.00087  -1.64749
   D437      -1.59326   0.00211   0.00000   0.00161   0.00162  -1.59164
   D438       0.32574   0.00100   0.00000   0.00063   0.00064   0.32637
   D439       0.90175   0.00296   0.00000   0.00072   0.00072   0.90247
   D440       0.71369  -0.00105   0.00000  -0.00032  -0.00031   0.71338
   D441      -0.32119   0.00025   0.00000  -0.00005  -0.00005  -0.32124
         Item               Value     Threshold  Converged?
 Maximum Force            0.140385     0.000450     NO 
 RMS     Force            0.027932     0.000300     NO 
 Maximum Displacement     0.391895     0.001800     NO 
 RMS     Displacement     0.082538     0.001200     NO 
 Predicted change in Energy=-2.235272D-01
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.440094    2.821931   -0.019394
      2          6           0       -1.762733    1.505284   -0.160753
      3          6           0       -0.894933    0.453950   -0.249911
      4          6           0        0.437458    0.737292   -0.215011
      5          6           0        0.798526    2.038913   -0.052292
      6          6           0       -0.098979    3.041172    0.048018
      7          6           0       -1.274664   -0.856776   -0.440988
      8          6           0       -0.317824   -1.817774   -0.648912
      9          6           0        1.028512   -1.581171   -0.482837
     10          6           0        1.375569   -0.261807   -0.316327
     11          6           0       -2.580757   -1.252957   -0.414553
     12          6           0       -3.068693   -2.494843   -0.690031
     13          6           0       -2.106075   -3.338498   -1.145875
     14          6           0       -0.804361   -2.993240   -1.129790
     15          7           0        2.011657   -2.490569   -0.438163
     16          6           0        3.273577   -2.060118   -0.482697
     17          6           0        3.551612   -0.733760   -0.381259
     18          7           0        2.598892    0.114573   -0.295179
     19          6           0        4.372803   -2.829984   -0.704440
     20          6           0        5.635528   -2.346735   -0.689401
     21          6           0        5.932791   -1.033767   -0.471268
     22          6           0        4.825290   -0.252439   -0.363545
     23          6           0       -2.368247    3.848891    0.026837
     24          6           0       -4.396188   -2.860206   -0.559846
     25          6           0        7.224533   -0.549084   -0.383044
     26          6           0       -4.872805   -4.093302   -0.887354
     27          6           0       -6.159219   -4.472548   -0.704969
     28          6           0       -7.131663   -3.674608   -0.183056
     29          6           0       -6.652790   -2.435769    0.119580
     30          6           0       -5.366646   -2.049641   -0.052135
     31          6           0       -2.039658    5.152724    0.243795
     32          6           0       -2.939866    6.164035    0.257270
     33          6           0       -4.278748    6.006277    0.066110
     34          6           0       -4.602823    4.698461   -0.131141
     35          6           0       -3.708284    3.682038   -0.152331
     36          6           0        8.334445   -1.314737   -0.568785
     37          6           0        9.597260   -0.844719   -0.437946
     38          6           0        9.910461    0.440262   -0.112684
     39          6           0        8.793870    1.202350    0.054582
     40          6           0        7.527366    0.740651   -0.069712
     41          7           0       -5.148333    6.991318    0.070363
     42          7           0       -8.375107   -4.052986    0.008859
     43          7           0       11.136779    0.890855    0.027031
     44          6           0       -8.800894   -5.286833    0.179994
     45          6           0      -10.150429   -5.305643    0.355991
     46          6           0      -10.554804   -4.011817    0.304753
     47          6           0       -9.433478   -3.274251    0.080017
     48          6           0       -6.435338    6.905643    0.332062
     49          6           0       -7.026746    8.127554    0.232211
     50          6           0       -6.038367    8.997853   -0.091817
     51          6           0       -4.901356    8.257072   -0.191929
     52          6           0       11.536840    2.138735   -0.096843
     53          6           0       12.875193    2.235540    0.131026
     54          6           0       13.305164    0.975561    0.389756
     55          6           0       12.202967    0.179962    0.326880
     56          6           0      -11.797198   -3.492703    0.431942
     57          6           0      -11.952059   -2.156890    0.298370
     58          6           0      -10.871650   -1.393717    0.007548
     59          6           0       -9.639501   -1.943586   -0.118899
     60          6           0       -8.178897   -6.490108    0.317907
     61          6           0       -8.882795   -7.631310    0.513848
     62          6           0      -10.232787   -7.611731    0.618457
     63          6           0      -10.879755   -6.427097    0.555649
     64          6           0       -6.102886   10.332244   -0.302094
     65          6           0       -4.974405   10.980145   -0.666596
     66          6           0       -3.834862   10.269950   -0.843592
     67          6           0       -3.803210    8.932115   -0.629303
     68          6           0       -7.245186    5.900355    0.764504
     69          6           0       -8.568473    6.100830    0.976303
     70          6           0       -9.128793    7.321163    0.801152
     71          6           0       -8.343163    8.359436    0.439661
     72          6           0       14.551121    0.533988    0.675208
     73          6           0       14.721053   -0.778345    0.948191
     74          6           0       13.639662   -1.593548    0.963219
     75          6           0       12.402238   -1.120176    0.678190
     76          6           0       10.927756    3.291028   -0.489909
     77          6           0       11.603781    4.464348   -0.544305
     78          6           0       12.923170    4.526690   -0.245751
     79          6           0       13.577242    3.390527    0.081549
     80          8           0        0.543935   -4.608640    0.655876
     81         15           0        1.778997   -4.219779   -0.078601
     82          8           0        2.983570   -5.049729    0.693294
     83          8           0        1.917506   -5.100730   -1.470761
     84          6           0        3.464936   -4.686073    1.964383
     85          6           0        4.582138   -5.649527    2.353442
     86          6           0        1.197597   -6.305834   -1.610975
     87          6           0        1.515870   -6.905348   -2.976651
     88          1           0       -2.827128    1.291905   -0.235062
     89          1           0        1.850837    2.355232    0.002216
     90          1           0        0.340746    4.040822    0.155084
     91          1           0       -3.328080   -0.514740   -0.131095
     92          1           0       -2.318126   -4.345687   -1.526105
     93          1           0       -0.141701   -3.736948   -1.580309
     94          1           0        4.297082   -3.901035   -0.928137
     95          1           0        6.412490   -3.105260   -0.852009
     96          1           0        4.906458    0.836657   -0.254628
     97          1           0       -4.235266   -4.863462   -1.340640
     98          1           0       -6.393094   -5.467398   -1.101233
     99          1           0       -7.273007   -1.698637    0.642607
    100          1           0       -5.152900   -1.035084    0.309512
    101          1           0       -1.009747    5.467477    0.457507
    102          1           0       -2.516647    7.135213    0.538325
    103          1           0       -5.622219    4.401303   -0.401947
    104          1           0       -4.152879    2.704386   -0.381327
    105          1           0        8.270111   -2.370581   -0.865540
    106          1           0       10.373529   -1.568622   -0.710941
    107          1           0        8.858372    2.232802    0.420937
    108          1           0        6.749705    1.481219    0.161342
    109          1           0      -12.672677   -4.127093    0.626185
    110          1           0      -12.949575   -1.701094    0.384151
    111          1           0      -11.008321   -0.313854   -0.158998
    112          1           0       -8.856428   -1.248011   -0.439971
    113          1           0       -7.090880   -6.615517    0.337723
    114          1           0       -8.351654   -8.589530    0.625151
    115          1           0      -10.791740   -8.542788    0.795385
    116          1           0      -11.970336   -6.393697    0.683390
    117          1           0       -7.043774   10.890550   -0.198724
    118          1           0       -4.991294   12.063315   -0.857942
    119          1           0       -2.930660   10.788290   -1.198668
    120          1           0       -2.853266    8.450902   -0.887820
    121          1           0       -6.887742    4.896510    1.018641
    122          1           0       -9.197212    5.267252    1.326544
    123          1           0      -10.202037    7.474688    0.989846
    124          1           0       -8.777108    9.363211    0.334505
    125          1           0       15.413502    1.214258    0.705137
    126          1           0       15.718122   -1.170455    1.198591
    127          1           0       13.769563   -2.649799    1.246216
    128          1           0       11.593909   -1.847693    0.808893
    129          1           0        9.889322    3.344562   -0.834305
    130          1           0       11.085058    5.380377   -0.867858
    131          1           0       13.464785    5.482319   -0.309159
    132          1           0       14.656361    3.421496    0.285543
    133          1           0        3.871539   -3.653560    1.929076
    134          1           0        2.636301   -4.754127    2.702458
    135          1           0        4.988175   -5.397646    3.356657
    136          1           0        4.215125   -6.697972    2.387227
    137          1           0        5.420306   -5.604002    1.624609
    138          1           0        1.496084   -7.013821   -0.806205
    139          1           0        0.106535   -6.107313   -1.535318
    140          1           0        2.601565   -7.117240   -3.079057
    141          1           0        0.966587   -7.859611   -3.126912
    142          1           0        1.224547   -6.211654   -3.795164
    143         17           0        1.443353   -1.871493    2.489896
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0196564           0.0078751           0.0057285
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13838.7997937620 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  7.99D-05  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    0.999997   -0.000275    0.000027   -0.002536 Ang=  -0.29 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.25423140     A.U. after   17 cycles
            NFock= 17  Conv=0.19D-08     -V/T= 2.0055
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.033476059   -0.023098102    0.000730744
      2        6          -0.053703253   -0.030142594   -0.005448446
      3        6          -0.016108395    0.032266997    0.006165903
      4        6          -0.022938057    0.014904573    0.003415059
      5        6           0.036055330    0.047004576    0.006113333
      6        6           0.019916737    0.053071218    0.005983933
      7        6          -0.017629980   -0.024837775    0.005062189
      8        6           0.005211323   -0.023932471   -0.011600090
      9        6          -0.008241600   -0.017864227    0.018633088
     10        6           0.028566684    0.012461553    0.001597141
     11        6          -0.052804858    0.024440186    0.012162860
     12        6           0.028633937    0.023704874   -0.000750657
     13        6           0.026818770   -0.048671729   -0.022579960
     14        6           0.041353163   -0.044914774   -0.022947415
     15        7           0.010516298   -0.049615192   -0.022462097
     16        6           0.036693087   -0.006672806   -0.002146696
     17        6           0.015836799    0.005698503    0.002372346
     18        7          -0.034609739    0.066614902    0.005914706
     19        6           0.028162185   -0.060012523   -0.010561539
     20        6           0.040253708   -0.038792746   -0.005662021
     21        6          -0.037022344   -0.011545439   -0.003065512
     22        6           0.007043095    0.056702971    0.005035357
     23        6          -0.030965412    0.012412887    0.000006607
     24        6          -0.026584799   -0.014960426    0.001648160
     25        6           0.025241113    0.022114487    0.002737697
     26        6           0.037562035   -0.031799115   -0.019870243
     27        6           0.017166051   -0.058597136   -0.028801813
     28        6           0.049321832    0.037949519   -0.006775507
     29        6          -0.046508755    0.036980699    0.031519093
     30        6          -0.016778434    0.046370046    0.018095511
     31        6           0.035175810    0.037430556    0.012607952
     32        6           0.010792168    0.062305151    0.021168489
     33        6           0.056611017   -0.030842362    0.003318023
     34        6          -0.044466423   -0.044441069   -0.022337615
     35        6          -0.011312097   -0.049398022   -0.012029389
     36        6           0.022448698   -0.045383331   -0.012803136
     37        6           0.056462323   -0.031747921   -0.018027362
     38        6          -0.047981997   -0.040651008   -0.010057872
     39        6          -0.028081623    0.055713019    0.022817354
     40        6          -0.043110818    0.028022300    0.009833155
     41        7           0.010661273   -0.005827465    0.000961985
     42        7           0.012447535    0.008576811   -0.002384749
     43        7          -0.010034470   -0.009058594   -0.002612782
     44        6           0.030030982   -0.074471858    0.010522209
     45        6          -0.009447557   -0.030150150    0.001009464
     46        6          -0.031415637   -0.000598302    0.004277487
     47        6          -0.063929114    0.048752561   -0.005971107
     48        6          -0.054707812   -0.055795890    0.018278372
     49        6          -0.031330626   -0.003839894   -0.000163993
     50        6          -0.014223980    0.028227878   -0.002129776
     51        6           0.018784548    0.075381777   -0.020294642
     52        6          -0.030455536    0.072241137   -0.016854506
     53        6           0.007471480    0.030688372    0.002575202
     54        6           0.031171385    0.002492095    0.005139708
     55        6           0.062192555   -0.045437973    0.023471026
     56        6          -0.037197696   -0.029209403    0.006233873
     57        6          -0.056223612   -0.003033871    0.003517368
     58        6          -0.019636593    0.042959176   -0.009316735
     59        6           0.028464515    0.062073537   -0.016456389
     60        6           0.069543193    0.011660998    0.003076753
     61        6           0.037130257   -0.029797034    0.007207219
     62        6          -0.018424783   -0.053048113    0.006920228
     63        6          -0.038724860   -0.027717955    0.004232094
     64        6          -0.042406264    0.022448663   -0.001208813
     65        6          -0.026393491    0.049325597   -0.008456463
     66        6           0.031386872    0.033150942   -0.014074757
     67        6           0.069800046   -0.001955240   -0.011681576
     68        6           0.038752290   -0.056221965    0.017238472
     69        6          -0.011978466   -0.044283277    0.015077555
     70        6          -0.056663319   -0.004418426    0.003710988
     71        6          -0.041180593    0.023397231   -0.003565955
     72        6           0.035693974    0.031643320    0.006230405
     73        6           0.054626714    0.006142684    0.013931541
     74        6           0.018550777   -0.042029350    0.013645758
     75        6          -0.027920668   -0.064437252    0.005305862
     76        6          -0.064441533   -0.014669350   -0.024173177
     77        6          -0.035360112    0.028093715   -0.017011211
     78        6           0.016235179    0.054218156    0.000797669
     79        6           0.036365583    0.029969632    0.008555143
     80        8          -0.008840089    0.021323010   -0.012365524
     81       15          -0.000795340   -0.096378319    0.039393677
     82        8          -0.004992507    0.027793367   -0.039366930
     83        8          -0.001208490    0.055023723   -0.002322592
     84        6           0.003207014    0.011644230    0.036030344
     85        6           0.010191945   -0.005979911   -0.000713695
     86        6          -0.007287195   -0.029699341    0.002754994
     87        6           0.005409725    0.000769782   -0.010092570
     88        1           0.004435987   -0.000973225    0.000978265
     89        1          -0.003462641   -0.014740856   -0.001585362
     90        1          -0.005700302   -0.007854628   -0.000753422
     91        1           0.005490608    0.002634722   -0.000969766
     92        1          -0.005489069    0.007306902    0.002979127
     93        1          -0.003824875    0.007380079    0.003959905
     94        1          -0.006972508    0.005654951    0.002799176
     95        1          -0.006333016    0.007370673    0.000541325
     96        1           0.000870424   -0.009842258   -0.000853967
     97        1          -0.004649087    0.007427630    0.003665975
     98        1          -0.005265744    0.006914602    0.005239899
     99        1           0.004231853   -0.007672257   -0.005392931
    100        1           0.005396844   -0.006591065   -0.003986579
    101        1          -0.003773809   -0.008515911   -0.002502632
    102        1          -0.004803700   -0.007925264   -0.003907882
    103        1           0.003521744    0.008354793    0.004082062
    104        1           0.005025912    0.007416444    0.002788010
    105        1          -0.005931043    0.006865191    0.002229375
    106        1          -0.005877296    0.007351146    0.003845094
    107        1           0.006980623   -0.005992655   -0.003848491
    108        1           0.006114539   -0.006839190   -0.002612136
    109        1           0.007157743    0.004828783   -0.001102492
    110        1           0.008557242   -0.000302724    0.000680949
    111        1           0.006674026   -0.007194980    0.001696020
    112        1           0.001337811   -0.008658934    0.003972271
    113        1          -0.008567736    0.003442459   -0.003033488
    114        1          -0.005349835    0.008302532   -0.002024215
    115        1           0.001839217    0.008224204   -0.002270547
    116        1           0.006656780    0.005606225   -0.000879771
    117        1           0.007670222   -0.004620422    0.000428338
    118        1           0.003150434   -0.007542715    0.002492660
    119        1          -0.003846910   -0.008515564    0.003275086
    120        1          -0.007815028   -0.004323441    0.004558219
    121        1          -0.000217778    0.008506372   -0.004691557
    122        1           0.005208101    0.007913030   -0.003095214
    123        1           0.008492326    0.001355729   -0.001814218
    124        1           0.007806408   -0.003851738    0.000561839
    125        1          -0.006867936   -0.005424252   -0.001360681
    126        1          -0.008029422   -0.000092559   -0.003362590
    127        1          -0.006339490    0.006905794   -0.003531433
    128        1          -0.000900427    0.008763383   -0.004126338
    129        1           0.007410262   -0.003107055    0.005281443
    130        1           0.005033463   -0.008114867    0.003239257
    131        1          -0.001918456   -0.008405712    0.001283034
    132        1          -0.006293371   -0.005988174   -0.001444989
    133        1          -0.005156689   -0.010643014    0.004458774
    134        1           0.005443428    0.009587287   -0.007613576
    135        1          -0.004451824   -0.002722983   -0.009905541
    136        1          -0.000258766    0.010237700   -0.000486617
    137        1          -0.007148598   -0.003188879    0.006210769
    138        1          -0.007306034    0.005287924   -0.006581723
    139        1           0.010143722    0.000829922    0.003638475
    140        1          -0.010403791   -0.001359788    0.000807190
    141        1           0.000675190    0.010239820    0.003552290
    142        1           0.004417460   -0.005030169    0.008344834
    143       17          -0.000154319    0.003139278   -0.001740288
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.096378319 RMS     0.024582202

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.102663866 RMS     0.020940873
 Search for a local minimum.
 Step number   2 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    1    2
 DE= -2.18D-01 DEPred=-2.24D-01 R= 9.75D-01
 TightC=F SS=  1.41D+00  RLast= 3.02D-01 DXNew= 5.0454D-01 9.0743D-01
 Trust test= 9.75D-01 RLast= 3.02D-01 DXMaxT set to 5.05D-01
 ITU=  1  0
 Use linear search instead of GDIIS.
 Linear search step of   0.600 exceeds DXMaxT=   0.505 but not scaled.
 Quartic linear search produced a step of  2.00000.
 Iteration  1 RMS(Cart)=  0.16427512 RMS(Int)=  0.00028596
 Iteration  2 RMS(Cart)=  0.00134699 RMS(Int)=  0.00008612
 Iteration  3 RMS(Cart)=  0.00000043 RMS(Int)=  0.00008612
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.57561   0.04227   0.04190   0.00000   0.04189   2.61750
    R2        2.57114   0.05878   0.05790   0.00000   0.05789   2.62903
    R3        2.61729   0.08128   0.08198   0.00000   0.08198   2.69927
    R4        2.58162   0.04031   0.04040   0.00000   0.04040   2.62203
    R5        2.05624  -0.00336  -0.00361   0.00000  -0.00361   2.05262
    R6        2.57500   0.05926   0.06039   0.00000   0.06043   2.63543
    R7        2.60392   0.07739   0.07742   0.00000   0.07739   2.68131
    R8        2.57104   0.04650   0.04615   0.00000   0.04616   2.61720
    R9        2.59692   0.08071   0.08216   0.00000   0.08221   2.67914
   R10        2.54945   0.03778   0.03635   0.00000   0.03635   2.58580
   R11        2.07903  -0.01174  -0.01283   0.00000  -0.01283   2.06620
   R12        2.07364  -0.00820  -0.00879   0.00000  -0.00879   2.06485
   R13        2.59264   0.06482   0.06432   0.00000   0.06426   2.65690
   R14        2.57969   0.03680   0.03683   0.00000   0.03682   2.61651
   R15        2.60219   0.06195   0.06054   0.00000   0.06051   2.66269
   R16        2.57008   0.05698   0.05545   0.00000   0.05545   2.62553
   R17        2.59718   0.07798   0.07587   0.00000   0.07588   2.67306
   R18        2.53221   0.05105   0.04694   0.00000   0.04687   2.57908
   R19        5.69856  -0.00456  -0.00613   0.00000  -0.00625   5.69230
   R20        2.41902   0.06020   0.05453   0.00000   0.05456   2.47358
   R21        2.57464   0.04748   0.04752   0.00000   0.04752   2.62216
   R22        2.05607  -0.00405  -0.00440   0.00000  -0.00440   2.05168
   R23        2.56765   0.06038   0.05962   0.00000   0.05963   2.62728
   R24        2.61349   0.07863   0.07900   0.00000   0.07900   2.69249
   R25        2.54512   0.03411   0.03258   0.00000   0.03258   2.57770
   R26        2.07351  -0.00864  -0.00920   0.00000  -0.00920   2.06431
   R27        2.06594  -0.00778  -0.00760   0.00000  -0.00760   2.05834
   R28        2.52101   0.06597   0.05833   0.00000   0.05830   2.57930
   R29        3.36646   0.00636   0.00732   0.00000   0.00732   3.37379
   R30        5.75661   0.00780   0.00864   0.00000   0.00883   5.76545
   R31        2.56809   0.06744   0.06731   0.00000   0.06738   2.63548
   R32        2.57042   0.04893   0.04748   0.00000   0.04746   2.61788
   R33        2.41616   0.08793   0.07499   0.00000   0.07505   2.49121
   R34        2.57325   0.05262   0.05317   0.00000   0.05322   2.62647
   R35        2.55514   0.03620   0.03491   0.00000   0.03485   2.58999
   R36        2.07261  -0.00782  -0.00769   0.00000  -0.00769   2.06492
   R37        2.57713   0.06202   0.06119   0.00000   0.06115   2.63828
   R38        2.07480  -0.00879  -0.00941   0.00000  -0.00941   2.06539
   R39        2.56936   0.04040   0.04098   0.00000   0.04100   2.61035
   R40        2.61254   0.08296   0.08342   0.00000   0.08342   2.69597
   R41        2.07404  -0.00973  -0.01071   0.00000  -0.01071   2.06333
   R42        2.57379   0.05093   0.05034   0.00000   0.05033   2.62412
   R43        2.57422   0.05078   0.05014   0.00000   0.05013   2.62436
   R44        2.57374   0.05167   0.05095   0.00000   0.05094   2.62469
   R45        2.57487   0.05134   0.05061   0.00000   0.05061   2.62548
   R46        2.57213   0.05151   0.05083   0.00000   0.05083   2.62296
   R47        2.57260   0.05138   0.05069   0.00000   0.05069   2.62328
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   R49        2.07446  -0.00851  -0.00911   0.00000  -0.00911   2.06535
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   R79        2.48741   0.10210   0.09330   0.00000   0.09334   2.58075
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   R122       2.07077  -0.00797  -0.00856   0.00000  -0.00856   2.06221
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   R125       2.55906   0.05329   0.05105   0.00000   0.05100   2.61006
   R126       2.08113  -0.00964  -0.01014   0.00000  -0.01014   2.07099
   R127       2.55351   0.04476   0.04291   0.00000   0.04290   2.59641
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   R129       2.07606  -0.00816  -0.00872   0.00000  -0.00872   2.06734
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    A4        2.21407  -0.01082  -0.01154   0.00000  -0.01154   2.20253
    A5        2.01317   0.00860   0.00967   0.00000   0.00967   2.02284
    A6        2.05557   0.00223   0.00189   0.00000   0.00189   2.05746
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    A9        2.06100   0.00173   0.00219   0.00000   0.00217   2.06318
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   A13        2.14489  -0.00530  -0.00535   0.00000  -0.00533   2.13956
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   A21        2.05660  -0.00137  -0.00286   0.00000  -0.00284   2.05376
   A22        2.14510  -0.00696  -0.00900   0.00000  -0.00908   2.13602
   A23        1.99269   0.00889   0.01173   0.00000   0.01176   2.00445
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   A25        2.01136   0.01020   0.01417   0.00000   0.01418   2.02555
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   A106       2.13500  -0.00348  -0.00466   0.00000  -0.00465   2.13035
   A107       1.98674   0.00614   0.00677   0.00000   0.00677   1.99351
   A108       2.15575  -0.00226  -0.00161   0.00000  -0.00162   2.15413
   A109       2.12906  -0.00258  -0.00347   0.00000  -0.00346   2.12560
   A110       1.99807   0.00484   0.00508   0.00000   0.00508   2.00315
   A111       2.17139  -0.00953  -0.00983   0.00000  -0.00983   2.16156
   A112       1.99029   0.00977   0.01059   0.00000   0.01059   2.00088
   A113       2.11737  -0.00026  -0.00079   0.00000  -0.00079   2.11658
   A114       1.94835   0.01512   0.01492   0.00000   0.01493   1.96328
   A115       2.16948  -0.00799  -0.00789   0.00000  -0.00789   2.16159
   A116       2.16535  -0.00713  -0.00704   0.00000  -0.00704   2.15831
   A117       2.17099  -0.00928  -0.00951   0.00000  -0.00951   2.16148
   A118       2.11651  -0.00024  -0.00077   0.00000  -0.00077   2.11574
   A119       1.98950   0.00955   0.01031   0.00000   0.01031   1.99980
   A120       2.15598  -0.00240  -0.00183   0.00000  -0.00183   2.15415
   A121       2.12899  -0.00298  -0.00394   0.00000  -0.00394   2.12504
   A122       1.99664   0.00542   0.00582   0.00000   0.00582   2.00246
   A123       2.21305  -0.00304  -0.00542   0.00000  -0.00546   2.20758
   A124       2.20954  -0.00213  -0.00399   0.00000  -0.00403   2.20551
   A125       1.86059   0.00517   0.00940   0.00000   0.00950   1.87009
   A126       2.20811  -0.00190  -0.00385   0.00000  -0.00390   2.20421
   A127       2.21263  -0.00276  -0.00502   0.00000  -0.00507   2.20756
   A128       1.86240   0.00466   0.00887   0.00000   0.00897   1.87137
   A129       2.21277  -0.00293  -0.00525   0.00000  -0.00530   2.20747
   A130       2.20818  -0.00178  -0.00360   0.00000  -0.00365   2.20453
   A131       1.86221   0.00471   0.00886   0.00000   0.00895   1.87117
   A132       1.92886  -0.01033  -0.01188   0.00000  -0.01186   1.91700
   A133       2.33746  -0.00590  -0.00537   0.00000  -0.00542   2.33205
   A134       2.01268   0.01619   0.01719   0.00000   0.01722   2.02990
   A135       1.85199   0.00804   0.00747   0.00000   0.00740   1.85939
   A136       2.17145  -0.01700  -0.01887   0.00000  -0.01877   2.15268
   A137       2.25965   0.00895   0.01140   0.00000   0.01136   2.27101
   A138       1.85204   0.00795   0.00737   0.00000   0.00730   1.85934
   A139       2.26058   0.00900   0.01146   0.00000   0.01143   2.27200
   A140       2.17054  -0.01696  -0.01884   0.00000  -0.01873   2.15180
   A141       1.92934  -0.01032  -0.01182   0.00000  -0.01180   1.91754
   A142       2.33556  -0.00554  -0.00504   0.00000  -0.00509   2.33048
   A143       2.01449   0.01582   0.01679   0.00000   0.01682   2.03131
   A144       1.93034  -0.01040  -0.01196   0.00000  -0.01195   1.91839
   A145       2.33632  -0.00567  -0.00516   0.00000  -0.00521   2.33112
   A146       2.01275   0.01603   0.01705   0.00000   0.01708   2.02984
   A147       1.85141   0.00800   0.00746   0.00000   0.00739   1.85880
   A148       2.17180  -0.01710  -0.01903   0.00000  -0.01893   2.15287
   A149       2.25994   0.00910   0.01157   0.00000   0.01154   2.27147
   A150       1.85167   0.00789   0.00736   0.00000   0.00729   1.85896
   A151       2.25952   0.00923   0.01164   0.00000   0.01160   2.27112
   A152       2.17193  -0.01712  -0.01900   0.00000  -0.01890   2.15303
   A153       1.93064  -0.01065  -0.01225   0.00000  -0.01222   1.91842
   A154       2.33562  -0.00531  -0.00468   0.00000  -0.00474   2.33088
   A155       2.01282   0.01593   0.01687   0.00000   0.01690   2.02972
   A156       1.92894  -0.01011  -0.01160   0.00000  -0.01159   1.91735
   A157       2.33732  -0.00595  -0.00550   0.00000  -0.00555   2.33178
   A158       2.01317   0.01602   0.01704   0.00000   0.01706   2.03024
   A159       1.85210   0.00791   0.00734   0.00000   0.00727   1.85936
   A160       2.17125  -0.01702  -0.01893   0.00000  -0.01882   2.15243
   A161       2.25979   0.00911   0.01159   0.00000   0.01155   2.27135
   A162       1.85205   0.00785   0.00728   0.00000   0.00722   1.85927
   A163       2.25972   0.00913   0.01155   0.00000   0.01151   2.27123
   A164       2.17134  -0.01698  -0.01883   0.00000  -0.01873   2.15261
   A165       1.92932  -0.01034  -0.01187   0.00000  -0.01184   1.91748
   A166       2.33674  -0.00564  -0.00509   0.00000  -0.00514   2.33160
   A167       2.01292   0.01595   0.01690   0.00000   0.01692   2.02984
   A168       2.06619   0.00405   0.00525   0.00000   0.00530   2.07148
   A169       2.12597  -0.00533  -0.00665   0.00000  -0.00667   2.11930
   A170       2.09095   0.00128   0.00139   0.00000   0.00137   2.09233
   A171       2.07923   0.00361   0.00391   0.00000   0.00385   2.08309
   A172       2.10107  -0.00159  -0.00171   0.00000  -0.00169   2.09938
   A173       2.10207  -0.00198  -0.00216   0.00000  -0.00214   2.09993
   A174       2.11378   0.00290   0.00321   0.00000   0.00313   2.11691
   A175       2.07838   0.00134   0.00195   0.00000   0.00199   2.08038
   A176       2.09053  -0.00422  -0.00513   0.00000  -0.00509   2.08544
   A177       2.11841  -0.00941  -0.01032   0.00000  -0.01036   2.10805
   A178       2.15960  -0.00095  -0.00111   0.00000  -0.00109   2.15851
   A179       2.00384   0.01037   0.01143   0.00000   0.01145   2.01529
   A180       2.11955  -0.00970  -0.01068   0.00000  -0.01071   2.10884
   A181       2.16129  -0.00101  -0.00116   0.00000  -0.00114   2.16014
   A182       2.00085   0.01072   0.01185   0.00000   0.01186   2.01272
   A183       2.11396   0.00294   0.00329   0.00000   0.00321   2.11716
   A184       2.09080  -0.00436  -0.00532   0.00000  -0.00528   2.08552
   A185       2.07785   0.00145   0.00207   0.00000   0.00211   2.07996
   A186       2.07876   0.00364   0.00397   0.00000   0.00392   2.08267
   A187       2.10207  -0.00196  -0.00214   0.00000  -0.00211   2.09995
   A188       2.10146  -0.00165  -0.00179   0.00000  -0.00177   2.09969
   A189       2.06642   0.00392   0.00510   0.00000   0.00514   2.07156
   A190       2.12617  -0.00533  -0.00665   0.00000  -0.00667   2.11950
   A191       2.09044   0.00141   0.00155   0.00000   0.00153   2.09198
   A192       2.06595   0.00411   0.00535   0.00000   0.00539   2.07134
   A193       2.12645  -0.00542  -0.00676   0.00000  -0.00678   2.11967
   A194       2.09068   0.00131   0.00141   0.00000   0.00139   2.09206
   A195       2.07884   0.00359   0.00386   0.00000   0.00381   2.08265
   A196       2.10155  -0.00163  -0.00175   0.00000  -0.00172   2.09983
   A197       2.10193  -0.00193  -0.00207   0.00000  -0.00205   2.09988
   A198       2.11370   0.00308   0.00342   0.00000   0.00333   2.11704
   A199       2.07859   0.00126   0.00185   0.00000   0.00190   2.08048
   A200       2.09038  -0.00431  -0.00524   0.00000  -0.00520   2.08519
   A201       2.11940  -0.00958  -0.01050   0.00000  -0.01053   2.10887
   A202       2.16203  -0.00123  -0.00143   0.00000  -0.00142   2.16061
   A203       2.00032   0.01081   0.01194   0.00000   0.01196   2.01228
   A204       2.11919  -0.00952  -0.01047   0.00000  -0.01051   2.10868
   A205       2.16065  -0.00109  -0.00128   0.00000  -0.00126   2.15939
   A206       2.00199   0.01062   0.01175   0.00000   0.01177   2.01376
   A207       2.11434   0.00286   0.00318   0.00000   0.00309   2.11744
   A208       2.08893  -0.00405  -0.00492   0.00000  -0.00488   2.08405
   A209       2.07945   0.00121   0.00177   0.00000   0.00182   2.08126
   A210       2.07882   0.00357   0.00387   0.00000   0.00382   2.08264
   A211       2.10258  -0.00200  -0.00218   0.00000  -0.00216   2.10042
   A212       2.10099  -0.00154  -0.00165   0.00000  -0.00163   2.09936
   A213       2.06590   0.00417   0.00540   0.00000   0.00544   2.07134
   A214       2.12510  -0.00529  -0.00659   0.00000  -0.00661   2.11849
   A215       2.09209   0.00112   0.00120   0.00000   0.00118   2.09327
   A216       2.06651   0.00393   0.00514   0.00000   0.00518   2.07169
   A217       2.12549  -0.00524  -0.00655   0.00000  -0.00657   2.11893
   A218       2.09105   0.00131   0.00141   0.00000   0.00139   2.09244
   A219       2.07882   0.00358   0.00387   0.00000   0.00382   2.08264
   A220       2.10144  -0.00162  -0.00174   0.00000  -0.00171   2.09972
   A221       2.10196  -0.00193  -0.00209   0.00000  -0.00207   2.09990
   A222       2.11355   0.00309   0.00345   0.00000   0.00336   2.11691
   A223       2.07833   0.00130   0.00190   0.00000   0.00194   2.08027
   A224       2.09072  -0.00437  -0.00531   0.00000  -0.00526   2.08545
   A225       2.11940  -0.00958  -0.01052   0.00000  -0.01056   2.10885
   A226       2.16165  -0.00114  -0.00132   0.00000  -0.00130   2.16035
   A227       2.00065   0.01072   0.01184   0.00000   0.01186   2.01252
   A228       2.11909  -0.00951  -0.01046   0.00000  -0.01049   2.10859
   A229       2.16074  -0.00103  -0.00120   0.00000  -0.00118   2.15956
   A230       2.00200   0.01055   0.01166   0.00000   0.01168   2.01369
   A231       2.11416   0.00289   0.00321   0.00000   0.00312   2.11728
   A232       2.09089  -0.00434  -0.00528   0.00000  -0.00523   2.08566
   A233       2.07760   0.00147   0.00211   0.00000   0.00215   2.07975
   A234       2.07867   0.00365   0.00398   0.00000   0.00393   2.08259
   A235       2.10237  -0.00201  -0.00220   0.00000  -0.00217   2.10019
   A236       2.10132  -0.00162  -0.00175   0.00000  -0.00172   2.09959
   A237       2.06649   0.00397   0.00516   0.00000   0.00521   2.07169
   A238       2.12599  -0.00533  -0.00665   0.00000  -0.00667   2.11932
   A239       2.09061   0.00136   0.00148   0.00000   0.00146   2.09208
   A240       2.05048  -0.00610  -0.00792   0.00000  -0.00764   2.04284
   A241       2.07848  -0.02113  -0.02630   0.00000  -0.02622   2.05227
   A242       1.91380  -0.03481  -0.04214   0.00000  -0.04225   1.87155
   A243       1.81615   0.02449   0.03160   0.00000   0.03112   1.84726
   A244       1.92386   0.02285   0.02773   0.00000   0.02676   1.95062
   A245       1.63543   0.02446   0.02965   0.00000   0.02841   1.66384
   A246       2.14252   0.00427   0.00558   0.00000   0.00563   2.14815
   A247       2.08991  -0.00770  -0.00905   0.00000  -0.00905   2.08086
   A248       1.89408  -0.00163  -0.00216   0.00000  -0.00210   1.89197
   A249       1.91445   0.00006   0.00052   0.00000   0.00044   1.91489
   A250       1.90597  -0.00074  -0.00081   0.00000  -0.00079   1.90518
   A251       1.90414  -0.00002  -0.00014   0.00000  -0.00015   1.90399
   A252       1.91541   0.00371   0.00456   0.00000   0.00454   1.91995
   A253       1.92943  -0.00139  -0.00197   0.00000  -0.00193   1.92750
   A254       1.93334  -0.00352  -0.00415   0.00000  -0.00415   1.92918
   A255       1.94086   0.00025   0.00026   0.00000   0.00025   1.94111
   A256       1.93805   0.00101   0.00135   0.00000   0.00135   1.93941
   A257       1.88291   0.00134   0.00153   0.00000   0.00153   1.88444
   A258       1.88297   0.00122   0.00140   0.00000   0.00140   1.88437
   A259       1.88343  -0.00018  -0.00025   0.00000  -0.00025   1.88318
   A260       1.89475  -0.00443  -0.00529   0.00000  -0.00528   1.88946
   A261       1.91215   0.00077   0.00096   0.00000   0.00097   1.91312
   A262       1.91938   0.00070   0.00111   0.00000   0.00112   1.92050
   A263       1.91939   0.00266   0.00318   0.00000   0.00318   1.92257
   A264       1.91347   0.00357   0.00421   0.00000   0.00421   1.91768
   A265       1.90470  -0.00324  -0.00413   0.00000  -0.00414   1.90056
   A266       1.94066  -0.00012  -0.00003   0.00000  -0.00003   1.94063
   A267       1.93425  -0.00319  -0.00398   0.00000  -0.00398   1.93027
   A268       1.93833   0.00024   0.00041   0.00000   0.00041   1.93874
   A269       1.88264   0.00151   0.00180   0.00000   0.00180   1.88444
   A270       1.88308   0.00028   0.00029   0.00000   0.00029   1.88336
   A271       1.88255   0.00143   0.00171   0.00000   0.00171   1.88426
   A272       1.81817   0.00504   0.00556   0.00000   0.00557   1.82374
   A273       1.75462  -0.00053  -0.00060   0.00000  -0.00066   1.75396
   A274       1.55537   0.00446   0.00337   0.00000   0.00335   1.55872
   A275       1.78058   0.00266   0.00143   0.00000   0.00141   1.78199
   A276       1.11295  -0.00441  -0.00477   0.00000  -0.00477   1.10818
   A277       1.37640  -0.00605  -0.00674   0.00000  -0.00675   1.36965
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    D2       -3.12449  -0.00007  -0.00017   0.00000  -0.00018  -3.12468
    D3        3.10761   0.00083   0.00115   0.00000   0.00114   3.10875
    D4       -0.00357   0.00028   0.00036   0.00000   0.00035  -0.00322
    D5        0.02757  -0.00033  -0.00044   0.00000  -0.00044   0.02714
    D6        3.13413   0.00025   0.00033   0.00000   0.00033   3.13445
    D7       -3.09370  -0.00056  -0.00081   0.00000  -0.00082  -3.09452
    D8        0.01285   0.00002  -0.00005   0.00000  -0.00006   0.01279
    D9        3.07452  -0.00140  -0.00207   0.00000  -0.00206   3.07245
   D10       -0.08029  -0.00104  -0.00154   0.00000  -0.00154  -0.08183
   D11       -0.08963  -0.00091  -0.00139   0.00000  -0.00139  -0.09103
   D12        3.03874  -0.00055  -0.00087   0.00000  -0.00087   3.03787
   D13       -0.01819  -0.00001  -0.00001   0.00000  -0.00001  -0.01821
   D14       -3.09857   0.00025   0.00019   0.00000   0.00017  -3.09840
   D15        3.09233   0.00064   0.00091   0.00000   0.00091   3.09324
   D16        0.01195   0.00090   0.00111   0.00000   0.00109   0.01304
   D17        0.03497  -0.00031  -0.00046   0.00000  -0.00045   0.03452
   D18       -3.12691  -0.00019  -0.00029   0.00000  -0.00029  -3.12720
   D19        3.11937  -0.00085  -0.00099   0.00000  -0.00097   3.11840
   D20       -0.04251  -0.00073  -0.00082   0.00000  -0.00081  -0.04332
   D21        3.02890   0.00027   0.00034   0.00000   0.00035   3.02925
   D22       -0.12877   0.00160   0.00220   0.00000   0.00220  -0.12657
   D23       -0.05106   0.00045   0.00045   0.00000   0.00044  -0.05062
   D24        3.07446   0.00178   0.00230   0.00000   0.00229   3.07675
   D25       -0.02232   0.00057   0.00073   0.00000   0.00072  -0.02160
   D26        3.12519   0.00011   0.00009   0.00000   0.00008   3.12527
   D27        3.13969   0.00043   0.00056   0.00000   0.00055   3.14024
   D28        0.00401  -0.00004  -0.00009   0.00000  -0.00009   0.00392
   D29        0.02277  -0.00114  -0.00148   0.00000  -0.00145   0.02132
   D30        3.12163  -0.00022  -0.00009   0.00000  -0.00006   3.12157
   D31       -3.13994  -0.00095  -0.00126   0.00000  -0.00124  -3.14118
   D32       -0.04108  -0.00003   0.00012   0.00000   0.00015  -0.04093
   D33       -0.01103   0.00006   0.00006   0.00000   0.00005  -0.01097
   D34       -3.12033  -0.00028  -0.00043   0.00000  -0.00043  -3.12076
   D35        3.12506   0.00044   0.00058   0.00000   0.00058   3.12565
   D36        0.01576   0.00009   0.00010   0.00000   0.00010   0.01586
   D37        0.17288   0.00093   0.00114   0.00000   0.00112   0.17399
   D38       -2.88657   0.00081   0.00083   0.00000   0.00081  -2.88576
   D39       -2.95339  -0.00032  -0.00063   0.00000  -0.00065  -2.95404
   D40        0.27035  -0.00044  -0.00095   0.00000  -0.00096   0.26939
   D41        3.04773  -0.00078  -0.00104   0.00000  -0.00103   3.04669
   D42       -0.11049   0.00014   0.00017   0.00000   0.00016  -0.11033
   D43       -0.10966   0.00058   0.00085   0.00000   0.00084  -0.10882
   D44        3.01531   0.00150   0.00205   0.00000   0.00204   3.01735
   D45       -0.18576  -0.00316  -0.00406   0.00000  -0.00409  -0.18986
   D46        2.92821  -0.00109  -0.00109   0.00000  -0.00114   2.92708
   D47        1.42972  -0.00282  -0.00423   0.00000  -0.00415   1.42557
   D48        2.86671  -0.00256  -0.00310   0.00000  -0.00313   2.86358
   D49       -0.30250  -0.00049  -0.00012   0.00000  -0.00017  -0.30268
   D50       -1.80099  -0.00222  -0.00327   0.00000  -0.00319  -1.80418
   D51       -0.24240   0.00228   0.00305   0.00000   0.00304  -0.23936
   D52        2.85904   0.00063   0.00083   0.00000   0.00083   2.85988
   D53        2.98119   0.00243   0.00307   0.00000   0.00307   2.98426
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   D276       3.12197  -0.00081  -0.00125   0.00000  -0.00125   3.12072
   D277       0.03914  -0.00126  -0.00168   0.00000  -0.00168   0.03746
   D278       0.08446   0.00007   0.00008   0.00000   0.00009   0.08456
   D279      -2.99836  -0.00039  -0.00035   0.00000  -0.00034  -2.99870
   D280       0.01558  -0.00021  -0.00030   0.00000  -0.00032   0.01526
   D281      -3.13874  -0.00052  -0.00067   0.00000  -0.00069  -3.13943
   D282      -3.13564  -0.00055  -0.00072   0.00000  -0.00074  -3.13638
   D283      -0.00677  -0.00086  -0.00109   0.00000  -0.00111  -0.00788
   D284       0.02809  -0.00010   0.00002   0.00000   0.00003   0.02812
   D285      -3.12772  -0.00012  -0.00005   0.00000  -0.00004  -3.12776
   D286      -3.10230   0.00014   0.00035   0.00000   0.00035  -3.10194
   D287       0.02508   0.00011   0.00027   0.00000   0.00028   0.02536
   D288      -0.01360   0.00041   0.00048   0.00000   0.00048  -0.01312
   D289       3.04433  -0.00029  -0.00045   0.00000  -0.00046   3.04387
   D290       3.13991   0.00047   0.00056   0.00000   0.00056   3.14046
   D291      -0.08535  -0.00023  -0.00037   0.00000  -0.00039  -0.08574
   D292      -3.09906   0.00007   0.00026   0.00000   0.00026  -3.09880
   D293       0.02664   0.00010   0.00026   0.00000   0.00026   0.02690
   D294       0.02770  -0.00008   0.00005   0.00000   0.00006   0.02776
   D295      -3.12978  -0.00005   0.00006   0.00000   0.00006  -3.12973
   D296       3.11936  -0.00077  -0.00119   0.00000  -0.00118   3.11818
   D297       0.03841  -0.00133  -0.00176   0.00000  -0.00176   0.03666
   D298       0.08639   0.00003   0.00003   0.00000   0.00005   0.08643
   D299      -2.99457  -0.00054  -0.00054   0.00000  -0.00053  -2.99509
   D300       0.01330  -0.00043  -0.00052   0.00000  -0.00052   0.01279
   D301      -3.13732  -0.00057  -0.00070   0.00000  -0.00070  -3.13801
   D302      -3.04844   0.00039   0.00058   0.00000   0.00060  -3.04784
   D303       0.08413   0.00026   0.00040   0.00000   0.00042   0.08455
   D304      -3.12251   0.00080   0.00125   0.00000   0.00124  -3.12127
   D305      -0.03997   0.00133   0.00178   0.00000   0.00178  -0.03819
   D306      -0.08482  -0.00007  -0.00009   0.00000  -0.00010  -0.08491
   D307       2.99773   0.00046   0.00044   0.00000   0.00043   2.99816
   D308      -0.01634   0.00025   0.00036   0.00000   0.00038  -0.01596
   D309       3.13871   0.00054   0.00070   0.00000   0.00072   3.13943
   D310       3.13491   0.00057   0.00077   0.00000   0.00079   3.13569
   D311       0.00677   0.00087   0.00111   0.00000   0.00113   0.00790
   D312      -0.02849   0.00011  -0.00000   0.00000  -0.00001  -0.02850
   D313       3.12799   0.00009   0.00001   0.00000   0.00000   3.12799
   D314       3.10187  -0.00012  -0.00031   0.00000  -0.00032   3.10155
   D315      -0.02484  -0.00013  -0.00030   0.00000  -0.00031  -0.02515
   D316       0.01444  -0.00045  -0.00055   0.00000  -0.00055   0.01389
   D317      -3.04259   0.00026   0.00038   0.00000   0.00040  -3.04219
   D318      -3.13974  -0.00049  -0.00059   0.00000  -0.00059  -3.14033
   D319       0.08641   0.00022   0.00034   0.00000   0.00036   0.08677
   D320       3.09817  -0.00005  -0.00022   0.00000  -0.00022   3.09795
   D321      -0.02612  -0.00010  -0.00025   0.00000  -0.00025  -0.02637
   D322      -0.02775   0.00008  -0.00005   0.00000  -0.00006  -0.02781
   D323       3.13114   0.00003  -0.00008   0.00000  -0.00009   3.13105
   D324      -3.11993   0.00078   0.00121   0.00000   0.00121  -3.11873
   D325      -0.03992   0.00132   0.00174   0.00000   0.00174  -0.03818
   D326      -0.08830   0.00002   0.00004   0.00000   0.00003  -0.08827
   D327       2.99171   0.00056   0.00058   0.00000   0.00057   2.99228
   D328       0.03108  -0.00033  -0.00030   0.00000  -0.00031   0.03077
   D329       3.12943   0.00033   0.00049   0.00000   0.00049   3.12992
   D330      -3.09716  -0.00025  -0.00016   0.00000  -0.00016  -3.09731
   D331       0.00119   0.00041   0.00064   0.00000   0.00064   0.00183
   D332      -0.02777  -0.00023  -0.00041   0.00000  -0.00041  -0.02819
   D333       3.07997   0.00060   0.00069   0.00000   0.00070   3.08067
   D334      -3.12610  -0.00090  -0.00122   0.00000  -0.00122  -3.12732
   D335      -0.01835  -0.00007  -0.00012   0.00000  -0.00011  -0.01846
   D336      -0.03451   0.00079   0.00102   0.00000   0.00102  -0.03350
   D337       3.05339   0.00093   0.00111   0.00000   0.00111   3.05450
   D338       3.14116  -0.00015  -0.00023   0.00000  -0.00023   3.14093
   D339      -0.05412  -0.00001  -0.00014   0.00000  -0.00014  -0.05426
   D340      -0.03361   0.00077   0.00099   0.00000   0.00099  -0.03262
   D341      -3.13820  -0.00024  -0.00034   0.00000  -0.00034  -3.13854
   D342       3.05137   0.00097   0.00116   0.00000   0.00116   3.05253
   D343      -0.05321  -0.00004  -0.00018   0.00000  -0.00017  -0.05339
   D344      -0.02631  -0.00029  -0.00048   0.00000  -0.00049  -0.02679
   D345      -3.12252  -0.00097  -0.00131   0.00000  -0.00131  -3.12383
   D346       3.07855   0.00059   0.00068   0.00000   0.00069   3.07924
   D347      -0.01767  -0.00009  -0.00014   0.00000  -0.00014  -0.01781
   D348       0.02866  -0.00027  -0.00021   0.00000  -0.00021   0.02845
   D349      -3.09482  -0.00028  -0.00021   0.00000  -0.00021  -3.09503
   D350       3.12489   0.00041   0.00061   0.00000   0.00061   3.12550
   D351       0.00141   0.00040   0.00061   0.00000   0.00061   0.00202
   D352       0.03161  -0.00035  -0.00033   0.00000  -0.00033   0.03128
   D353       3.12878   0.00035   0.00052   0.00000   0.00052   3.12930
   D354      -3.09442  -0.00032  -0.00026   0.00000  -0.00026  -3.09468
   D355       0.00275   0.00038   0.00059   0.00000   0.00059   0.00334
   D356      -0.02873  -0.00021  -0.00038   0.00000  -0.00038  -0.02911
   D357       3.07837   0.00064   0.00075   0.00000   0.00075   3.07912
   D358      -3.12589  -0.00092  -0.00124   0.00000  -0.00124  -3.12713
   D359      -0.01879  -0.00006  -0.00011   0.00000  -0.00011  -0.01890
   D360      -0.03352   0.00077   0.00098   0.00000   0.00099  -0.03254
   D361       3.05270   0.00097   0.00115   0.00000   0.00115   3.05385
   D362      -3.14039  -0.00020  -0.00030   0.00000  -0.00029  -3.14069
   D363      -0.05417  -0.00000  -0.00013   0.00000  -0.00013  -0.05430
   D364      -0.03272   0.00075   0.00096   0.00000   0.00096  -0.03176
   D365      -3.14135  -0.00013  -0.00020   0.00000  -0.00020  -3.14154
   D366       3.05512   0.00087   0.00102   0.00000   0.00102   3.05614
   D367      -0.05350  -0.00001  -0.00014   0.00000  -0.00014  -0.05364
   D368      -0.02770  -0.00024  -0.00042   0.00000  -0.00042  -0.02812
   D369      -3.12666  -0.00086  -0.00117   0.00000  -0.00117  -3.12783
   D370       3.08110   0.00054   0.00061   0.00000   0.00061   3.08171
   D371      -0.01786  -0.00009  -0.00014   0.00000  -0.00014  -0.01800
   D372       0.03002  -0.00031  -0.00027   0.00000  -0.00028   0.02975
   D373      -3.09763  -0.00023  -0.00014   0.00000  -0.00013  -3.09777
   D374       3.12902   0.00030   0.00046   0.00000   0.00046   3.12948
   D375       0.00137   0.00039   0.00060   0.00000   0.00060   0.00197
   D376      -0.03180   0.00036   0.00034   0.00000   0.00034  -0.03146
   D377      -3.12653  -0.00038  -0.00057   0.00000  -0.00057  -3.12710
   D378       3.09285   0.00034   0.00029   0.00000   0.00029   3.09314
   D379      -0.00188  -0.00040  -0.00062   0.00000  -0.00062  -0.00251
   D380       0.02807   0.00023   0.00041   0.00000   0.00042   0.02848
   D381      -3.07658  -0.00067  -0.00078   0.00000  -0.00079  -3.07736
   D382       3.12279   0.00098   0.00133   0.00000   0.00134   3.12412
   D383       0.01814   0.00008   0.00014   0.00000   0.00013   0.01828
   D384       0.03529  -0.00083  -0.00107   0.00000  -0.00107   0.03422
   D385      -3.05005  -0.00101  -0.00120   0.00000  -0.00121  -3.05125
   D386       3.13968   0.00019   0.00029   0.00000   0.00028   3.13996
   D387       0.05434   0.00002   0.00016   0.00000   0.00015   0.05449
   D388       0.03356  -0.00077  -0.00098   0.00000  -0.00099   0.03257
   D389       3.13974   0.00023   0.00035   0.00000   0.00034   3.14008
   D390      -3.05403  -0.00095  -0.00113   0.00000  -0.00114  -3.05517
   D391       0.05215   0.00005   0.00020   0.00000   0.00019   0.05234
   D392       0.02659   0.00027   0.00046   0.00000   0.00047   0.02705
   D393       3.12442   0.00095   0.00129   0.00000   0.00129   3.12570
   D394      -3.07986  -0.00061  -0.00071   0.00000  -0.00071  -3.08057
   D395       0.01797   0.00007   0.00012   0.00000   0.00011   0.01808
   D396      -0.02914   0.00028   0.00023   0.00000   0.00023  -0.02891
   D397       3.09788   0.00024   0.00015   0.00000   0.00015   3.09803
   D398      -3.12700  -0.00039  -0.00058   0.00000  -0.00058  -3.12758
   D399       0.00002  -0.00043  -0.00066   0.00000  -0.00066  -0.00064
   D400       1.03328   0.00915   0.01194   0.00000   0.01190   1.04517
   D401      -1.29035   0.01176   0.01432   0.00000   0.01488  -1.27547
   D402       3.03936  -0.02353  -0.02783   0.00000  -0.02879   3.01058
   D403      -2.61991  -0.00286  -0.00336   0.00000  -0.00337  -2.62328
   D404      -0.33643  -0.02059  -0.02536   0.00000  -0.02618  -0.36262
   D405       1.52155   0.01975   0.02468   0.00000   0.02551   1.54706
   D406      -3.12423  -0.00668  -0.00860   0.00000  -0.00866  -3.13289
   D407      -1.04546  -0.00763  -0.00976   0.00000  -0.00984  -1.05530
   D408       1.07150  -0.00977  -0.01237   0.00000  -0.01245   1.05905
   D409      -3.13713   0.00020   0.00024   0.00000   0.00024  -3.13689
   D410      -1.04080   0.00121   0.00148   0.00000   0.00148  -1.03932
   D411       1.05264  -0.00186  -0.00232   0.00000  -0.00232   1.05031
   D412      -3.13798  -0.00023  -0.00012   0.00000  -0.00015  -3.13813
   D413      -1.04426  -0.00072  -0.00078   0.00000  -0.00082  -1.04508
   D414       1.05327  -0.00010  -0.00002   0.00000  -0.00005   1.05322
   D415       1.05996   0.00066   0.00061   0.00000   0.00064   1.06061
   D416      -3.12950   0.00017  -0.00006   0.00000  -0.00003  -3.12953
   D417      -1.03197   0.00079   0.00071   0.00000   0.00074  -1.03123
   D418      -1.05644   0.00007   0.00029   0.00000   0.00029  -1.05615
   D419       1.03729  -0.00042  -0.00038   0.00000  -0.00038   1.03690
   D420       3.13481   0.00020   0.00039   0.00000   0.00039   3.13520
   D421       1.52922  -0.00287  -0.00357   0.00000  -0.00362   1.52560
   D422      -2.68140  -0.00482  -0.00597   0.00000  -0.00601  -2.68741
   D423      -0.57356  -0.00111  -0.00165   0.00000  -0.00169  -0.57526
   D424      -1.55594   0.00068   0.00083   0.00000   0.00090  -1.55505
   D425       2.65301   0.00090   0.00122   0.00000   0.00123   2.65424
   D426       0.55189  -0.00059  -0.00029   0.00000  -0.00028   0.55162
   D427       1.04752   0.00009   0.00007   0.00000   0.00007   1.04759
   D428       3.14137  -0.00021  -0.00034   0.00000  -0.00034   3.14103
   D429      -1.04962  -0.00036  -0.00055   0.00000  -0.00055  -1.05016
   D430      -1.04430   0.00028   0.00023   0.00000   0.00024  -1.04406
   D431       1.04955  -0.00002  -0.00017   0.00000  -0.00017   1.04938
   D432      -3.14144  -0.00017  -0.00038   0.00000  -0.00038   3.14137
   D433      -3.13856   0.00038   0.00072   0.00000   0.00071  -3.13785
   D434      -1.04471   0.00008   0.00031   0.00000   0.00031  -1.04441
   D435       1.04748  -0.00007   0.00010   0.00000   0.00010   1.04758
   D436      -1.64749   0.00093   0.00173   0.00000   0.00178  -1.64571
   D437      -1.59164   0.00230   0.00323   0.00000   0.00328  -1.58836
   D438       0.32637   0.00091   0.00127   0.00000   0.00129   0.32766
   D439       0.90247   0.00204   0.00144   0.00000   0.00144   0.90391
   D440       0.71338  -0.00055  -0.00063   0.00000  -0.00059   0.71279
   D441      -0.32124   0.00026  -0.00010   0.00000  -0.00010  -0.32134
         Item               Value     Threshold  Converged?
 Maximum Force            0.102664     0.000450     NO 
 RMS     Force            0.020941     0.000300     NO 
 Maximum Displacement     0.777748     0.001800     NO 
 RMS     Displacement     0.164388     0.001200     NO 
 Predicted change in Energy=-2.514611D-01
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.521629    2.890165   -0.009129
      2          6           0       -1.831023    1.547765   -0.153326
      3          6           0       -0.922832    0.502584   -0.242720
      4          6           0        0.434640    0.820127   -0.205658
      5          6           0        0.777997    2.151606   -0.040148
      6          6           0       -0.156008    3.146512    0.060683
      7          6           0       -1.289232   -0.853833   -0.440525
      8          6           0       -0.295277   -1.825119   -0.653623
      9          6           0        1.076046   -1.552600   -0.478715
     10          6           0        1.422358   -0.191650   -0.309121
     11          6           0       -2.607337   -1.277098   -0.416913
     12          6           0       -3.069958   -2.553832   -0.702100
     13          6           0       -2.073813   -3.405816   -1.165500
     14          6           0       -0.760400   -3.038066   -1.146347
     15          7           0        2.085337   -2.470054   -0.431151
     16          6           0        3.377910   -2.033915   -0.476019
     17          6           0        3.657185   -0.671263   -0.375078
     18          7           0        2.671308    0.199588   -0.288153
     19          6           0        4.486722   -2.834371   -0.697194
     20          6           0        5.767504   -2.346681   -0.682998
     21          6           0        6.076981   -1.002614   -0.466543
     22          6           0        4.962369   -0.193797   -0.359061
     23          6           0       -2.503998    3.926015    0.038531
     24          6           0       -4.432350   -2.949868   -0.571298
     25          6           0        7.414286   -0.513486   -0.378906
     26          6           0       -4.894338   -4.215537   -0.908578
     27          6           0       -6.193539   -4.620345   -0.728536
     28          6           0       -7.190989   -3.811273   -0.198285
     29          6           0       -6.730269   -2.538229    0.115733
     30          6           0       -5.430029   -2.132096   -0.055395
     31          6           0       -2.196164    5.261431    0.262553
     32          6           0       -3.132597    6.266295    0.277188
     33          6           0       -4.492013    6.061362    0.079500
     34          6           0       -4.799386    4.722300   -0.125245
     35          6           0       -3.864235    3.716322   -0.146962
     36          6           0        8.535859   -1.308967   -0.568254
     37          6           0        9.822413   -0.845463   -0.440434
     38          6           0       10.143481    0.466029   -0.114405
     39          6           0        9.017403    1.261883    0.057568
     40          6           0        7.729582    0.801358   -0.064543
     41          7           0       -5.418888    7.059710    0.084764
     42          7           0       -8.474633   -4.220593   -0.003931
     43          7           0       11.419017    0.922454    0.025563
     44          6           0       -8.893500   -5.507374    0.182911
     45          6           0      -10.276953   -5.534533    0.353281
     46          6           0      -10.714823   -4.200881    0.283485
     47          6           0       -9.581387   -3.422781    0.053514
     48          6           0       -6.748570    6.931623    0.367590
     49          6           0       -7.378378    8.170915    0.260761
     50          6           0       -6.380650    9.096931   -0.087872
     51          6           0       -5.192277    8.376469   -0.197347
     52          6           0       11.840371    2.213045   -0.122416
     53          6           0       13.212225    2.293211    0.112697
     54          6           0       13.645546    0.987885    0.400643
     55          6           0       12.514819    0.174172    0.348859
     56          6           0      -11.983479   -3.674585    0.396230
     57          6           0      -12.151290   -2.319310    0.243959
     58          6           0      -11.056811   -1.530669   -0.052631
     59          6           0       -9.796316   -2.070964   -0.166232
     60          6           0       -8.231497   -6.715798    0.337819
     61          6           0       -8.931875   -7.882101    0.544366
     62          6           0      -10.309583   -7.884118    0.642308
     63          6           0      -10.991649   -6.694041    0.563028
     64          6           0       -6.467724   10.453817   -0.312784
     65          6           0       -5.336137   11.132719   -0.695469
     66          6           0       -4.158294   10.434993   -0.879534
     67          6           0       -4.087874    9.079174   -0.654407
     68          6           0       -7.532549    5.880947    0.819368
     69          6           0       -8.879311    6.052064    1.043986
     70          6           0       -9.486980    7.279267    0.864023
     71          6           0       -8.725424    8.358132    0.484736
     72          6           0       14.904919    0.516151    0.701705
     73          6           0       15.056769   -0.816792    0.997901
     74          6           0       13.944411   -1.635312    1.022693
     75          6           0       12.692234   -1.148794    0.724164
     76          6           0       11.219236    3.379549   -0.541708
     77          6           0       11.917445    4.563165   -0.614039
     78          6           0       13.263404    4.622295   -0.309794
     79          6           0       13.925076    3.470554    0.041587
     80          8           0        0.603742   -4.573435    0.657063
     81         15           0        1.847282   -4.200940   -0.064038
     82          8           0        3.069387   -4.992471    0.708176
     83          8           0        2.001669   -5.024667   -1.478751
     84          6           0        3.552370   -4.611868    1.988081
     85          6           0        4.683947   -5.556783    2.375944
     86          6           0        1.282801   -6.235980   -1.657651
     87          6           0        1.611703   -6.786458   -3.039041
     88          1           0       -2.888226    1.309885   -0.227932
     89          1           0        1.821027    2.475168    0.013542
     90          1           0        0.251959    4.154465    0.168045
     91          1           0       -3.364907   -0.551890   -0.136010
     92          1           0       -2.276282   -4.410939   -1.542384
     93          1           0       -0.079451   -3.762778   -1.590768
     94          1           0        4.396217   -3.901631   -0.913467
     95          1           0        6.542610   -3.101003   -0.840366
     96          1           0        5.053075    0.889275   -0.254630
     97          1           0       -4.240885   -4.967733   -1.357700
     98          1           0       -6.420260   -5.612750   -1.120707
     99          1           0       -7.366033   -1.818575    0.633464
    100          1           0       -5.222498   -1.119924    0.302535
    101          1           0       -1.176054    5.590895    0.476170
    102          1           0       -2.743877    7.246171    0.557804
    103          1           0       -5.809104    4.409963   -0.394881
    104          1           0       -4.273338    2.728359   -0.376070
    105          1           0        8.454222   -2.360107   -0.859422
    106          1           0       10.594759   -1.567576   -0.708652
    107          1           0        9.100004    2.288068    0.417200
    108          1           0        6.955995    1.540295    0.162226
    109          1           0      -12.850563   -4.312727    0.590000
    110          1           0      -13.149632   -1.874581    0.317461
    111          1           0      -11.202426   -0.459226   -0.230386
    112          1           0       -9.016084   -1.378459   -0.485958
    113          1           0       -7.145118   -6.813273    0.362640
    114          1           0       -8.386281   -8.824519    0.666876
    115          1           0      -10.849754   -8.819829    0.823463
    116          1           0      -12.078898   -6.680319    0.683199
    117          1           0       -7.415513   10.990322   -0.207197
    118          1           0       -5.377483   12.209489   -0.892440
    119          1           0       -3.272092   10.968117   -1.241625
    120          1           0       -3.135439    8.612660   -0.911534
    121          1           0       -7.138055    4.895194    1.070646
    122          1           0       -9.477088    5.205798    1.401112
    123          1           0      -10.558147    7.400589    1.059929
    124          1           0       -9.188895    9.343468    0.379286
    125          1           0       15.772862    1.181941    0.724043
    126          1           0       16.043764   -1.217174    1.254262
    127          1           0       14.059177   -2.684232    1.318378
    128          1           0       11.872683   -1.856214    0.858914
    129          1           0       10.183994    3.425761   -0.883062
    130          1           0       11.405418    5.472099   -0.949729
    131          1           0       13.806968    5.570304   -0.387123
    132          1           0       14.999719    3.499911    0.244539
    133          1           0        3.941494   -3.580605    1.947380
    134          1           0        2.728830   -4.685399    2.723654
    135          1           0        5.084645   -5.293552    3.371415
    136          1           0        4.334332   -6.604775    2.415225
    137          1           0        5.515200   -5.502827    1.648437
    138          1           0        1.579027   -6.962433   -0.877278
    139          1           0        0.196177   -6.047125   -1.577138
    140          1           0        2.693396   -6.986869   -3.141945
    141          1           0        1.070869   -7.733260   -3.219135
    142          1           0        1.321416   -6.071971   -3.831344
    143         17           0        1.500257   -1.819154    2.491565
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0191575           0.0075090           0.0054954
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13594.4545363706 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  1.11D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    0.999988   -0.000557    0.000060   -0.004882 Ang=  -0.56 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.51864778     A.U. after   17 cycles
            NFock= 17  Conv=0.28D-08     -V/T= 2.0073
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.026534864   -0.012870327    0.000764644
      2        6          -0.031582828   -0.016154344   -0.003173649
      3        6          -0.002711755    0.021473144    0.003793774
      4        6          -0.014428603    0.004333406    0.002478570
      5        6           0.016672618    0.024599528    0.002767018
      6        6           0.008224577    0.025353984    0.001935939
      7        6          -0.004932758   -0.015896424    0.004691396
      8        6           0.001301368   -0.015744718   -0.011738783
      9        6          -0.010180801   -0.005830584    0.019876019
     10        6           0.028778816    0.011550111    0.000561792
     11        6          -0.031014429    0.010131527    0.006101879
     12        6           0.023257228    0.015831672   -0.001931895
     13        6           0.010990508   -0.022707600   -0.010334968
     14        6           0.020259679   -0.023021365   -0.011795915
     15        7           0.010002773   -0.025047966   -0.021804617
     16        6           0.024739364    0.005330452   -0.002677430
     17        6           0.000817993   -0.001975741    0.001351067
     18        7          -0.022305207    0.029929456    0.002536370
     19        6           0.014999642   -0.032261170   -0.006078135
     20        6           0.018746669   -0.017736565   -0.001218020
     21        6          -0.025306552   -0.010651834   -0.002871663
     22        6           0.004694242    0.028274916    0.002312233
     23        6          -0.022469065    0.009241808   -0.000032433
     24        6          -0.019143601   -0.011490297    0.001459128
     25        6           0.018524614    0.015142717    0.002149132
     26        6           0.018765756   -0.013424917   -0.009363091
     27        6           0.004912462   -0.031722365   -0.017526237
     28        6           0.030378436    0.023642314   -0.004139041
     29        6          -0.026038557    0.015764097    0.019767934
     30        6          -0.006365188    0.022140884    0.009046813
     31        6           0.017685109    0.016555230    0.006301698
     32        6           0.001028648    0.033267520    0.014039910
     33        6           0.035235617   -0.018514402    0.002123209
     34        6          -0.025414971   -0.020677333   -0.015190108
     35        6          -0.003198906   -0.023586231   -0.006572667
     36        6           0.008035708   -0.022266638   -0.006424756
     37        6           0.031643132   -0.013768474   -0.011945852
     38        6          -0.030154900   -0.024321042   -0.006060228
     39        6          -0.010841883    0.030388098    0.015561791
     40        6          -0.021078030    0.011700335    0.005234353
     41        7           0.005033140   -0.002486518    0.000434581
     42        7           0.006131100    0.004075056   -0.001163770
     43        7          -0.004675361   -0.004402080   -0.001172856
     44        6           0.010058698   -0.041268023    0.009209388
     45        6          -0.007321171   -0.007494795   -0.001146093
     46        6          -0.008962372   -0.004757471    0.003191441
     47        6          -0.037683240    0.020329118   -0.005501091
     48        6          -0.032752811   -0.025059232    0.012030068
     49        6          -0.009819565    0.003213684   -0.002396046
     50        6          -0.008648198    0.006250051    0.001484940
     51        6           0.003025066    0.040534752   -0.013750249
     52        6          -0.008946540    0.040620524   -0.010700865
     53        6           0.006429697    0.007743463    0.003350222
     54        6           0.009241600    0.005259553   -0.000370359
     55        6           0.035106019   -0.019025989    0.016048230
     56        6          -0.017027370   -0.009937161    0.002023567
     57        6          -0.024894154   -0.001710217    0.000858167
     58        6          -0.010934325    0.015830036   -0.004481513
     59        6           0.017594773    0.032571686   -0.009094769
     60        6           0.037333594    0.008872747    0.001790529
     61        6           0.012820062   -0.014350363    0.004346094
     62        6          -0.008218531   -0.023338580    0.003614404
     63        6          -0.014287233   -0.013695859    0.002273362
     64        6          -0.016382178    0.011375912   -0.001390245
     65        6          -0.012237955    0.021414813   -0.004362740
     66        6           0.009825607    0.015311031   -0.006851584
     67        6           0.037848841   -0.002846021   -0.006095248
     68        6           0.023442152   -0.028732422    0.009232720
     69        6          -0.007520130   -0.016913694    0.006958646
     70        6          -0.025136134   -0.002009080    0.002181774
     71        6          -0.018331379    0.007035876   -0.000620321
     72        6           0.016555146    0.010746656    0.003427796
     73        6           0.024053978    0.002538505    0.006778269
     74        6           0.009721169   -0.015389248    0.007165947
     75        6          -0.017922584   -0.033694914    0.002637106
     76        6          -0.034607000   -0.009790905   -0.013027460
     77        6          -0.011746163    0.014035566   -0.007588088
     78        6           0.007984361    0.023722089   -0.000314263
     79        6           0.013682220    0.014300490    0.002501556
     80        8          -0.006576866    0.016959178   -0.010811546
     81       15           0.000062259   -0.077679149    0.036145101
     82        8          -0.006150093    0.025928321   -0.033742391
     83        8          -0.001733267    0.044107881    0.000524597
     84        6           0.003302546    0.007192888    0.028853329
     85        6           0.007045653   -0.005466197   -0.002189032
     86        6          -0.004001383   -0.023728820   -0.000088901
     87        6           0.004010935    0.001307539   -0.007234539
     88        1           0.003128023   -0.001165022    0.000862256
     89        1          -0.000594033   -0.011009201   -0.001073014
     90        1          -0.005256896   -0.005104087   -0.000418032
     91        1           0.003537546    0.002286082   -0.000796182
     92        1          -0.005215265    0.004528621    0.002009675
     93        1          -0.003118873    0.006580791    0.003106041
     94        1          -0.005651254    0.004736328    0.002420491
     95        1          -0.003466635    0.006155416    0.000219443
     96        1           0.000443379   -0.005830343   -0.000370424
     97        1          -0.002413298    0.005815840    0.002616290
     98        1          -0.004630298    0.003437696    0.004438847
     99        1           0.001312299   -0.005924249   -0.004263932
    100        1           0.004577212   -0.004216008   -0.003072001
    101        1          -0.001515857   -0.006477197   -0.001884806
    102        1          -0.004450465   -0.004403111   -0.003514877
    103        1           0.000751708    0.006216058    0.003534040
    104        1           0.004288827    0.004976938    0.002213938
    105        1          -0.004819659    0.004312368    0.001564183
    106        1          -0.002558924    0.005817653    0.003604156
    107        1           0.005805931   -0.002846850   -0.003193374
    108        1           0.003442034   -0.005486707   -0.002149761
    109        1           0.005181422    0.002889523   -0.000694211
    110        1           0.006180438   -0.000152095    0.000708072
    111        1           0.004752060   -0.004862658    0.001348046
    112        1           0.002620962   -0.006319981    0.003674702
    113        1          -0.005944073    0.003994961   -0.003265839
    114        1          -0.003597579    0.005795816   -0.001613608
    115        1           0.001334825    0.005893525   -0.001846936
    116        1           0.004210940    0.004249065   -0.000638379
    117        1           0.005024346   -0.003519503    0.000430803
    118        1           0.002400366   -0.005367394    0.001991884
    119        1          -0.002430810   -0.005966369    0.002460245
    120        1          -0.004942187   -0.004600668    0.004456577
    121        1           0.001265917    0.006393921   -0.004365659
    122        1           0.003618483    0.005448718   -0.002295692
    123        1           0.006107040    0.001008660   -0.001488265
    124        1           0.005582003   -0.002092217    0.000281691
    125        1          -0.005047554   -0.003208952   -0.001048882
    126        1          -0.005735010   -0.000021359   -0.002623205
    127        1          -0.004361078    0.004729012   -0.002668004
    128        1          -0.001937067    0.006355955   -0.004307620
    129        1           0.004875903   -0.003864244    0.004724193
    130        1           0.003221655   -0.005744990    0.002433839
    131        1          -0.001572585   -0.006000197    0.001156840
    132        1          -0.004045009   -0.004413616   -0.000839316
    133        1          -0.005378274   -0.006759108    0.003175111
    134        1           0.003546828    0.007978000   -0.006423635
    135        1          -0.003461726   -0.001545737   -0.006423487
    136        1          -0.000270128    0.006744360   -0.000285863
    137        1          -0.004835198   -0.001955642    0.004194781
    138        1          -0.005276962    0.004063418   -0.003939431
    139        1           0.006956665    0.000925809    0.003254896
    140        1          -0.006900504   -0.000896980    0.000789040
    141        1           0.000303462    0.006544555    0.002840802
    142        1           0.002830323   -0.003471552    0.005554765
    143       17          -0.000727803    0.002865405   -0.001504254
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.077679149 RMS     0.013678624

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.040953227 RMS     0.009201466
 Search for a local minimum.
 Step number   3 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    2    3
 ITU=  0  1  0
 Use linear search instead of GDIIS.
 Linear search step of   0.545 exceeds DXMaxT=   0.505 but not scaled.
 Quartic linear search produced a step of  0.90791.
 Iteration  1 RMS(Cart)=  0.14835617 RMS(Int)=  0.00024243
 Iteration  2 RMS(Cart)=  0.00109823 RMS(Int)=  0.00010025
 Iteration  3 RMS(Cart)=  0.00000029 RMS(Int)=  0.00010025
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.61750   0.01635   0.03803   0.00000   0.03802   2.65552
    R2        2.62903   0.02323   0.05256   0.00000   0.05255   2.68159
    R3        2.69927   0.03630   0.07443   0.00000   0.07443   2.77370
    R4        2.62203   0.01528   0.03668   0.00000   0.03668   2.65871
    R5        2.05262  -0.00210  -0.00328   0.00000  -0.00328   2.04934
    R6        2.63543   0.02127   0.05486   0.00000   0.05491   2.69034
    R7        2.68131   0.03481   0.07026   0.00000   0.07023   2.75154
    R8        2.61720   0.01807   0.04191   0.00000   0.04191   2.65911
    R9        2.67914   0.03170   0.07464   0.00000   0.07471   2.75385
   R10        2.58580   0.01523   0.03300   0.00000   0.03300   2.61880
   R11        2.06620  -0.00717  -0.01165   0.00000  -0.01165   2.05454
   R12        2.06485  -0.00531  -0.00798   0.00000  -0.00798   2.05687
   R13        2.65690   0.02674   0.05834   0.00000   0.05827   2.71517
   R14        2.61651   0.01366   0.03343   0.00000   0.03342   2.64993
   R15        2.66269   0.02837   0.05493   0.00000   0.05490   2.71760
   R16        2.62553   0.02413   0.05034   0.00000   0.05035   2.67588
   R17        2.67306   0.03395   0.06889   0.00000   0.06890   2.74196
   R18        2.57908   0.02192   0.04255   0.00000   0.04247   2.62156
   R19        5.69230  -0.00457  -0.00568   0.00000  -0.00582   5.68648
   R20        2.47358   0.01502   0.04954   0.00000   0.04958   2.52316
   R21        2.62216   0.01728   0.04314   0.00000   0.04314   2.66530
   R22        2.05168  -0.00243  -0.00399   0.00000  -0.00399   2.04768
   R23        2.62728   0.02351   0.05414   0.00000   0.05414   2.68142
   R24        2.69249   0.03517   0.07173   0.00000   0.07173   2.76422
   R25        2.57770   0.01426   0.02958   0.00000   0.02959   2.60729
   R26        2.06431  -0.00568  -0.00836   0.00000  -0.00836   2.05595
   R27        2.05834  -0.00647  -0.00690   0.00000  -0.00690   2.05143
   R28        2.57930   0.03111   0.05293   0.00000   0.05289   2.63219
   R29        3.37379   0.00491   0.00665   0.00000   0.00665   3.38044
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   R44        2.62469   0.02060   0.04625   0.00000   0.04625   2.67094
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   R47        2.62328   0.02033   0.04602   0.00000   0.04601   2.66930
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   R93        2.60433   0.01939   0.04419   0.00000   0.04424   2.64857
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   A94        2.12736  -0.00247  -0.00372   0.00000  -0.00372   2.12364
   A95        1.99724   0.00619   0.00601   0.00000   0.00601   2.00326
   A96        2.16251  -0.00926  -0.00881   0.00000  -0.00880   2.15371
   A97        2.00085   0.00934   0.00924   0.00000   0.00923   2.01009
   A98        2.11521  -0.00006  -0.00046   0.00000  -0.00046   2.11475
   A99        1.96038   0.01604   0.01387   0.00000   0.01388   1.97426
   A100       2.16187  -0.00815  -0.00678   0.00000  -0.00679   2.15508
   A101       2.16094  -0.00790  -0.00709   0.00000  -0.00710   2.15385
   A102       2.16236  -0.00933  -0.00907   0.00000  -0.00907   2.15329
   A103       2.11450   0.00001  -0.00034   0.00000  -0.00034   2.11417
   A104       2.00047   0.00937   0.00943   0.00000   0.00943   2.00990
   A105       2.15808  -0.00364  -0.00189   0.00000  -0.00189   2.15619
   A106       2.13035  -0.00249  -0.00422   0.00000  -0.00422   2.12613
   A107       1.99351   0.00616   0.00615   0.00000   0.00615   1.99966
   A108       2.15413  -0.00332  -0.00147   0.00000  -0.00147   2.15266
   A109       2.12560  -0.00188  -0.00314   0.00000  -0.00314   2.12246
   A110       2.00315   0.00520   0.00461   0.00000   0.00461   2.00776
   A111       2.16156  -0.00922  -0.00893   0.00000  -0.00892   2.15264
   A112       2.00088   0.00950   0.00961   0.00000   0.00961   2.01050
   A113       2.11658  -0.00027  -0.00072   0.00000  -0.00072   2.11586
   A114       1.96328   0.01575   0.01356   0.00000   0.01356   1.97685
   A115       2.16159  -0.00830  -0.00716   0.00000  -0.00717   2.15443
   A116       2.15831  -0.00746  -0.00639   0.00000  -0.00640   2.15191
   A117       2.16148  -0.00910  -0.00863   0.00000  -0.00863   2.15285
   A118       2.11574  -0.00022  -0.00070   0.00000  -0.00070   2.11504
   A119       1.99980   0.00938   0.00936   0.00000   0.00936   2.00916
   A120       2.15415  -0.00339  -0.00166   0.00000  -0.00167   2.15248
   A121       2.12504  -0.00222  -0.00358   0.00000  -0.00358   2.12147
   A122       2.00246   0.00564   0.00529   0.00000   0.00529   2.00775
   A123       2.20758  -0.00226  -0.00496   0.00000  -0.00501   2.20257
   A124       2.20551  -0.00216  -0.00366   0.00000  -0.00371   2.20179
   A125       1.87009   0.00441   0.00862   0.00000   0.00873   1.87881
   A126       2.20421  -0.00183  -0.00354   0.00000  -0.00359   2.20061
   A127       2.20756  -0.00223  -0.00460   0.00000  -0.00465   2.20291
   A128       1.87137   0.00406   0.00814   0.00000   0.00825   1.87962
   A129       2.20747  -0.00225  -0.00481   0.00000  -0.00487   2.20260
   A130       2.20453  -0.00188  -0.00332   0.00000  -0.00337   2.20116
   A131       1.87117   0.00413   0.00813   0.00000   0.00824   1.87940
   A132       1.91700  -0.00572  -0.01077   0.00000  -0.01074   1.90625
   A133       2.33205  -0.00824  -0.00492   0.00000  -0.00497   2.32707
   A134       2.02990   0.01395   0.01563   0.00000   0.01566   2.04556
   A135       1.85939   0.00374   0.00672   0.00000   0.00664   1.86604
   A136       2.15268  -0.01084  -0.01704   0.00000  -0.01692   2.13576
   A137       2.27101   0.00710   0.01032   0.00000   0.01027   2.28128
   A138       1.85934   0.00369   0.00663   0.00000   0.00655   1.86590
   A139       2.27200   0.00708   0.01037   0.00000   0.01033   2.28234
   A140       2.15180  -0.01077  -0.01701   0.00000  -0.01689   2.13492
   A141       1.91754  -0.00576  -0.01072   0.00000  -0.01069   1.90685
   A142       2.33048  -0.00792  -0.00462   0.00000  -0.00468   2.32580
   A143       2.03131   0.01366   0.01527   0.00000   0.01530   2.04661
   A144       1.91839  -0.00587  -0.01085   0.00000  -0.01083   1.90756
   A145       2.33112  -0.00795  -0.00473   0.00000  -0.00478   2.32634
   A146       2.02984   0.01380   0.01551   0.00000   0.01555   2.04538
   A147       1.85880   0.00370   0.00671   0.00000   0.00663   1.86543
   A148       2.15287  -0.01088  -0.01719   0.00000  -0.01707   2.13580
   A149       2.27147   0.00718   0.01047   0.00000   0.01043   2.28191
   A150       1.85896   0.00366   0.00662   0.00000   0.00655   1.86551
   A151       2.27112   0.00727   0.01053   0.00000   0.01048   2.28160
   A152       2.15303  -0.01092  -0.01716   0.00000  -0.01704   2.13600
   A153       1.91842  -0.00590  -0.01110   0.00000  -0.01107   1.90735
   A154       2.33088  -0.00795  -0.00430   0.00000  -0.00436   2.32652
   A155       2.02972   0.01384   0.01534   0.00000   0.01538   2.04510
   A156       1.91735  -0.00567  -0.01052   0.00000  -0.01050   1.90685
   A157       2.33178  -0.00814  -0.00504   0.00000  -0.00509   2.32668
   A158       2.03024   0.01379   0.01549   0.00000   0.01553   2.04576
   A159       1.85936   0.00364   0.00660   0.00000   0.00652   1.86588
   A160       2.15243  -0.01082  -0.01709   0.00000  -0.01697   2.13546
   A161       2.27135   0.00718   0.01049   0.00000   0.01045   2.28180
   A162       1.85927   0.00364   0.00655   0.00000   0.00648   1.86575
   A163       2.27123   0.00719   0.01045   0.00000   0.01040   2.28163
   A164       2.15261  -0.01083  -0.01700   0.00000  -0.01688   2.13572
   A165       1.91748  -0.00573  -0.01075   0.00000  -0.01072   1.90676
   A166       2.33160  -0.00812  -0.00467   0.00000  -0.00473   2.32687
   A167       2.02984   0.01384   0.01537   0.00000   0.01540   2.04524
   A168       2.07148   0.00185   0.00481   0.00000   0.00485   2.07634
   A169       2.11930  -0.00365  -0.00606   0.00000  -0.00608   2.11322
   A170       2.09233   0.00180   0.00125   0.00000   0.00122   2.09355
   A171       2.08309   0.00222   0.00350   0.00000   0.00344   2.08653
   A172       2.09938  -0.00092  -0.00153   0.00000  -0.00150   2.09788
   A173       2.09993  -0.00128  -0.00194   0.00000  -0.00191   2.09802
   A174       2.11691   0.00158   0.00284   0.00000   0.00274   2.11965
   A175       2.08038   0.00132   0.00181   0.00000   0.00186   2.08224
   A176       2.08544  -0.00287  -0.00462   0.00000  -0.00457   2.08087
   A177       2.10805  -0.00851  -0.00941   0.00000  -0.00945   2.09860
   A178       2.15851  -0.00146  -0.00099   0.00000  -0.00097   2.15754
   A179       2.01529   0.00999   0.01040   0.00000   0.01042   2.02571
   A180       2.10884  -0.00872  -0.00973   0.00000  -0.00976   2.09907
   A181       2.16014  -0.00155  -0.00104   0.00000  -0.00102   2.15912
   A182       2.01272   0.01029   0.01077   0.00000   0.01079   2.02351
   A183       2.11716   0.00160   0.00291   0.00000   0.00281   2.11997
   A184       2.08552  -0.00297  -0.00479   0.00000  -0.00474   2.08078
   A185       2.07996   0.00140   0.00192   0.00000   0.00197   2.08193
   A186       2.08267   0.00226   0.00355   0.00000   0.00350   2.08617
   A187       2.09995  -0.00128  -0.00192   0.00000  -0.00189   2.09806
   A188       2.09969  -0.00096  -0.00160   0.00000  -0.00157   2.09812
   A189       2.07156   0.00177   0.00466   0.00000   0.00471   2.07627
   A190       2.11950  -0.00366  -0.00605   0.00000  -0.00608   2.11343
   A191       2.09198   0.00189   0.00139   0.00000   0.00137   2.09335
   A192       2.07134   0.00188   0.00489   0.00000   0.00494   2.07628
   A193       2.11967  -0.00372  -0.00615   0.00000  -0.00618   2.11349
   A194       2.09206   0.00184   0.00126   0.00000   0.00124   2.09330
   A195       2.08265   0.00222   0.00346   0.00000   0.00340   2.08605
   A196       2.09983  -0.00095  -0.00157   0.00000  -0.00154   2.09829
   A197       2.09988  -0.00124  -0.00186   0.00000  -0.00183   2.09805
   A198       2.11704   0.00166   0.00303   0.00000   0.00293   2.11996
   A199       2.08048   0.00128   0.00172   0.00000   0.00177   2.08226
   A200       2.08519  -0.00292  -0.00472   0.00000  -0.00467   2.08052
   A201       2.10887  -0.00865  -0.00956   0.00000  -0.00960   2.09927
   A202       2.16061  -0.00173  -0.00129   0.00000  -0.00127   2.15934
   A203       2.01228   0.01041   0.01086   0.00000   0.01088   2.02316
   A204       2.10868  -0.00858  -0.00954   0.00000  -0.00958   2.09910
   A205       2.15939  -0.00158  -0.00114   0.00000  -0.00112   2.15827
   A206       2.01376   0.01018   0.01069   0.00000   0.01071   2.02447
   A207       2.11744   0.00155   0.00281   0.00000   0.00271   2.12015
   A208       2.08405  -0.00273  -0.00443   0.00000  -0.00438   2.07967
   A209       2.08126   0.00120   0.00165   0.00000   0.00170   2.08296
   A210       2.08264   0.00221   0.00347   0.00000   0.00341   2.08605
   A211       2.10042  -0.00130  -0.00196   0.00000  -0.00193   2.09849
   A212       2.09936  -0.00088  -0.00148   0.00000  -0.00145   2.09791
   A213       2.07134   0.00193   0.00494   0.00000   0.00498   2.07632
   A214       2.11849  -0.00360  -0.00601   0.00000  -0.00603   2.11246
   A215       2.09327   0.00167   0.00107   0.00000   0.00104   2.09431
   A216       2.07169   0.00178   0.00471   0.00000   0.00475   2.07644
   A217       2.11893  -0.00360  -0.00596   0.00000  -0.00599   2.11294
   A218       2.09244   0.00182   0.00126   0.00000   0.00124   2.09368
   A219       2.08264   0.00223   0.00347   0.00000   0.00341   2.08605
   A220       2.09972  -0.00094  -0.00156   0.00000  -0.00153   2.09820
   A221       2.09990  -0.00125  -0.00188   0.00000  -0.00185   2.09805
   A222       2.11691   0.00167   0.00305   0.00000   0.00295   2.11986
   A223       2.08027   0.00131   0.00176   0.00000   0.00181   2.08209
   A224       2.08545  -0.00296  -0.00478   0.00000  -0.00473   2.08072
   A225       2.10885  -0.00865  -0.00958   0.00000  -0.00962   2.09923
   A226       2.16035  -0.00166  -0.00118   0.00000  -0.00116   2.15919
   A227       2.01252   0.01033   0.01077   0.00000   0.01079   2.02331
   A228       2.10859  -0.00859  -0.00953   0.00000  -0.00957   2.09902
   A229       2.15956  -0.00154  -0.00107   0.00000  -0.00105   2.15851
   A230       2.01369   0.01015   0.01061   0.00000   0.01063   2.02431
   A231       2.11728   0.00157   0.00283   0.00000   0.00273   2.12001
   A232       2.08566  -0.00296  -0.00475   0.00000  -0.00470   2.08096
   A233       2.07975   0.00141   0.00195   0.00000   0.00200   2.08176
   A234       2.08259   0.00226   0.00357   0.00000   0.00351   2.08610
   A235       2.10019  -0.00130  -0.00197   0.00000  -0.00194   2.09825
   A236       2.09959  -0.00093  -0.00156   0.00000  -0.00153   2.09806
   A237       2.07169   0.00180   0.00473   0.00000   0.00477   2.07646
   A238       2.11932  -0.00366  -0.00606   0.00000  -0.00608   2.11324
   A239       2.09208   0.00186   0.00133   0.00000   0.00131   2.09338
   A240       2.04284  -0.00396  -0.00693   0.00000  -0.00660   2.03624
   A241       2.05227  -0.01650  -0.02380   0.00000  -0.02369   2.02857
   A242       1.87155  -0.02789  -0.03836   0.00000  -0.03847   1.83308
   A243       1.84726   0.01926   0.02825   0.00000   0.02767   1.87494
   A244       1.95062   0.01729   0.02430   0.00000   0.02312   1.97375
   A245       1.66384   0.01704   0.02579   0.00000   0.02429   1.68813
   A246       2.14815   0.00460   0.00511   0.00000   0.00517   2.15333
   A247       2.08086  -0.00492  -0.00822   0.00000  -0.00822   2.07264
   A248       1.89197  -0.00146  -0.00191   0.00000  -0.00185   1.89013
   A249       1.91489  -0.00056   0.00040   0.00000   0.00031   1.91520
   A250       1.90518  -0.00074  -0.00072   0.00000  -0.00070   1.90449
   A251       1.90399   0.00057  -0.00014   0.00000  -0.00015   1.90384
   A252       1.91995   0.00328   0.00412   0.00000   0.00410   1.92405
   A253       1.92750  -0.00110  -0.00176   0.00000  -0.00172   1.92578
   A254       1.92918  -0.00327  -0.00377   0.00000  -0.00377   1.92541
   A255       1.94111   0.00032   0.00023   0.00000   0.00023   1.94134
   A256       1.93941   0.00069   0.00123   0.00000   0.00123   1.94063
   A257       1.88444   0.00121   0.00139   0.00000   0.00139   1.88583
   A258       1.88437   0.00117   0.00127   0.00000   0.00127   1.88564
   A259       1.88318   0.00000  -0.00022   0.00000  -0.00023   1.88295
   A260       1.88946  -0.00297  -0.00480   0.00000  -0.00479   1.88468
   A261       1.91312   0.00020   0.00088   0.00000   0.00088   1.91400
   A262       1.92050  -0.00008   0.00102   0.00000   0.00103   1.92153
   A263       1.92257   0.00227   0.00289   0.00000   0.00288   1.92545
   A264       1.91768   0.00325   0.00382   0.00000   0.00382   1.92151
   A265       1.90056  -0.00263  -0.00376   0.00000  -0.00377   1.89679
   A266       1.94063  -0.00028  -0.00003   0.00000  -0.00003   1.94060
   A267       1.93027  -0.00255  -0.00361   0.00000  -0.00361   1.92666
   A268       1.93874   0.00004   0.00037   0.00000   0.00037   1.93911
   A269       1.88444   0.00129   0.00163   0.00000   0.00163   1.88606
   A270       1.88336   0.00044   0.00026   0.00000   0.00026   1.88362
   A271       1.88426   0.00122   0.00155   0.00000   0.00155   1.88581
   A272       1.82374   0.00424   0.00506   0.00000   0.00507   1.82881
   A273       1.75396  -0.00092  -0.00060   0.00000  -0.00067   1.75328
   A274       1.55872   0.00038   0.00304   0.00000   0.00302   1.56174
   A275       1.78199  -0.00069   0.00128   0.00000   0.00126   1.78325
   A276       1.10818  -0.00330  -0.00433   0.00000  -0.00432   1.10386
   A277       1.36965  -0.00485  -0.00612   0.00000  -0.00613   1.36352
   A278       0.59511  -0.00228  -0.00314   0.00000  -0.00314   0.59197
    D1       -0.01271   0.00047   0.00055   0.00000   0.00055  -0.01216
    D2       -3.12468  -0.00004  -0.00017   0.00000  -0.00018  -3.12485
    D3        3.10875   0.00073   0.00104   0.00000   0.00103   3.10979
    D4       -0.00322   0.00022   0.00032   0.00000   0.00031  -0.00291
    D5        0.02714  -0.00038  -0.00040   0.00000  -0.00040   0.02674
    D6        3.13445   0.00021   0.00030   0.00000   0.00030   3.13475
    D7       -3.09452  -0.00059  -0.00075   0.00000  -0.00075  -3.09528
    D8        0.01279  -0.00000  -0.00005   0.00000  -0.00006   0.01273
    D9        3.07245  -0.00119  -0.00187   0.00000  -0.00187   3.07058
   D10       -0.08183  -0.00089  -0.00140   0.00000  -0.00140  -0.08324
   D11       -0.09103  -0.00077  -0.00127   0.00000  -0.00126  -0.09229
   D12        3.03787  -0.00047  -0.00079   0.00000  -0.00080   3.03707
   D13       -0.01821  -0.00002  -0.00001   0.00000  -0.00002  -0.01822
   D14       -3.09840   0.00035   0.00015   0.00000   0.00014  -3.09826
   D15        3.09324   0.00057   0.00083   0.00000   0.00082   3.09406
   D16        0.01304   0.00094   0.00099   0.00000   0.00097   0.01402
   D17        0.03452  -0.00036  -0.00041   0.00000  -0.00040   0.03412
   D18       -3.12720  -0.00026  -0.00026   0.00000  -0.00026  -3.12746
   D19        3.11840  -0.00097  -0.00088   0.00000  -0.00086   3.11753
   D20       -0.04332  -0.00088  -0.00073   0.00000  -0.00072  -0.04404
   D21        3.02925   0.00022   0.00032   0.00000   0.00032   3.02957
   D22       -0.12657   0.00146   0.00200   0.00000   0.00200  -0.12457
   D23       -0.05062   0.00055   0.00040   0.00000   0.00039  -0.05023
   D24        3.07675   0.00179   0.00208   0.00000   0.00207   3.07882
   D25       -0.02160   0.00057   0.00065   0.00000   0.00064  -0.02095
   D26        3.12527   0.00010   0.00007   0.00000   0.00007   3.12534
   D27        3.14024   0.00041   0.00050   0.00000   0.00049   3.14073
   D28        0.00392  -0.00006  -0.00008   0.00000  -0.00008   0.00384
   D29        0.02132  -0.00108  -0.00132   0.00000  -0.00129   0.02004
   D30        3.12157  -0.00055  -0.00006   0.00000  -0.00002   3.12155
   D31       -3.14118  -0.00087  -0.00113   0.00000  -0.00110   3.14091
   D32       -0.04093  -0.00034   0.00013   0.00000   0.00016  -0.04077
   D33       -0.01097   0.00002   0.00005   0.00000   0.00004  -0.01093
   D34       -3.12076  -0.00035  -0.00039   0.00000  -0.00040  -3.12116
   D35        3.12565   0.00041   0.00053   0.00000   0.00053   3.12618
   D36        0.01586   0.00004   0.00009   0.00000   0.00008   0.01594
   D37        0.17399   0.00059   0.00101   0.00000   0.00098   0.17497
   D38       -2.88576   0.00063   0.00073   0.00000   0.00071  -2.88505
   D39       -2.95404  -0.00055  -0.00059   0.00000  -0.00062  -2.95466
   D40        0.26939  -0.00051  -0.00087   0.00000  -0.00089   0.26850
   D41        3.04669  -0.00095  -0.00094   0.00000  -0.00094   3.04576
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   D264      -3.10401   0.00007   0.00037   0.00000   0.00038  -3.10363
   D265       0.02386   0.00007   0.00029   0.00000   0.00030   0.02416
   D266       0.02788  -0.00011   0.00004   0.00000   0.00004   0.02793
   D267      -3.12743  -0.00011  -0.00004   0.00000  -0.00004  -3.12747
   D268       3.12291  -0.00051  -0.00123   0.00000  -0.00122   3.12169
   D269       0.03947  -0.00119  -0.00164   0.00000  -0.00164   0.03783
   D270       0.08708  -0.00021   0.00002   0.00000   0.00004   0.08712
   D271      -2.99636  -0.00089  -0.00039   0.00000  -0.00038  -2.99674
   D272      -0.01241   0.00044   0.00043   0.00000   0.00043  -0.01197
   D273       3.13838   0.00053   0.00060   0.00000   0.00060   3.13898
   D274       3.04799  -0.00021  -0.00055   0.00000  -0.00056   3.04743
   D275      -0.08441  -0.00012  -0.00037   0.00000  -0.00040  -0.08481
   D276       3.12072  -0.00043  -0.00113   0.00000  -0.00113   3.11960
   D277       0.03746  -0.00109  -0.00153   0.00000  -0.00153   0.03593
   D278       0.08456  -0.00016   0.00009   0.00000   0.00010   0.08466
   D279      -2.99870  -0.00082  -0.00031   0.00000  -0.00030  -2.99900
   D280       0.01526  -0.00043  -0.00029   0.00000  -0.00031   0.01495
   D281      -3.13943  -0.00062  -0.00063   0.00000  -0.00065  -3.14007
   D282      -3.13638  -0.00066  -0.00067   0.00000  -0.00070  -3.13708
   D283      -0.00788  -0.00085  -0.00101   0.00000  -0.00103  -0.00891
   D284       0.02812  -0.00011   0.00003   0.00000   0.00004   0.02815
   D285      -3.12776  -0.00011  -0.00004   0.00000  -0.00004  -3.12780
   D286      -3.10194   0.00005   0.00032   0.00000   0.00032  -3.10162
   D287       0.02536   0.00005   0.00025   0.00000   0.00025   0.02561
   D288      -0.01312   0.00049   0.00044   0.00000   0.00044  -0.01268
   D289       3.04387  -0.00011  -0.00042   0.00000  -0.00044   3.04343
   D290       3.14046   0.00050   0.00051   0.00000   0.00050   3.14097
   D291      -0.08574  -0.00009  -0.00035   0.00000  -0.00038  -0.08611
   D292      -3.09880  -0.00002   0.00024   0.00000   0.00024  -3.09856
   D293       0.02690   0.00004   0.00024   0.00000   0.00024   0.02714
   D294       0.02776  -0.00011   0.00005   0.00000   0.00006   0.02782
   D295      -3.12973  -0.00005   0.00005   0.00000   0.00006  -3.12967
   D296       3.11818  -0.00038  -0.00107   0.00000  -0.00107   3.11712
   D297       0.03666  -0.00116  -0.00159   0.00000  -0.00159   0.03506
   D298       0.08643  -0.00020   0.00004   0.00000   0.00006   0.08649
   D299      -2.99509  -0.00098  -0.00048   0.00000  -0.00047  -2.99557
   D300       0.01279  -0.00048  -0.00047   0.00000  -0.00047   0.01232
   D301      -3.13801  -0.00056  -0.00063   0.00000  -0.00063  -3.13864
   D302      -3.04784   0.00019   0.00054   0.00000   0.00056  -3.04728
   D303       0.08455   0.00012   0.00038   0.00000   0.00041   0.08495
   D304      -3.12127   0.00043   0.00113   0.00000   0.00112  -3.12015
   D305      -0.03819   0.00116   0.00161   0.00000   0.00161  -0.03658
   D306      -0.08491   0.00016  -0.00009   0.00000  -0.00011  -0.08502
   D307       2.99816   0.00089   0.00039   0.00000   0.00038   2.99855
   D308      -0.01596   0.00047   0.00034   0.00000   0.00036  -0.01560
   D309       3.13943   0.00065   0.00065   0.00000   0.00067   3.14010
   D310       3.13569   0.00068   0.00071   0.00000   0.00074   3.13643
   D311       0.00790   0.00086   0.00103   0.00000   0.00105   0.00895
   D312      -0.02850   0.00013  -0.00001   0.00000  -0.00002  -0.02852
   D313       3.12799   0.00008   0.00000   0.00000  -0.00000   3.12799
   D314       3.10155  -0.00002  -0.00029   0.00000  -0.00029   3.10125
   D315      -0.02515  -0.00006  -0.00028   0.00000  -0.00028  -0.02543
   D316       0.01389  -0.00051  -0.00050   0.00000  -0.00050   0.01339
   D317      -3.04219   0.00009   0.00036   0.00000   0.00038  -3.04181
   D318      -3.14033  -0.00051  -0.00053   0.00000  -0.00053  -3.14086
   D319       0.08677   0.00009   0.00033   0.00000   0.00035   0.08712
   D320       3.09795   0.00003  -0.00020   0.00000  -0.00021   3.09774
   D321      -0.02637  -0.00005  -0.00023   0.00000  -0.00023  -0.02660
   D322      -0.02781   0.00011  -0.00005   0.00000  -0.00006  -0.02787
   D323       3.13105   0.00003  -0.00008   0.00000  -0.00008   3.13097
   D324      -3.11873   0.00039   0.00109   0.00000   0.00109  -3.11764
   D325      -0.03818   0.00114   0.00158   0.00000   0.00158  -0.03660
   D326      -0.08827   0.00024   0.00003   0.00000   0.00001  -0.08825
   D327       2.99228   0.00099   0.00052   0.00000   0.00051   2.99279
   D328       0.03077  -0.00034  -0.00028   0.00000  -0.00028   0.03050
   D329       3.12992   0.00036   0.00045   0.00000   0.00045   3.13037
   D330      -3.09731  -0.00030  -0.00014   0.00000  -0.00014  -3.09745
   D331       0.00183   0.00040   0.00058   0.00000   0.00059   0.00242
   D332      -0.02819  -0.00007  -0.00037   0.00000  -0.00038  -0.02856
   D333       3.08067   0.00073   0.00063   0.00000   0.00064   3.08131
   D334      -3.12732  -0.00077  -0.00111   0.00000  -0.00111  -3.12843
   D335      -0.01846   0.00002  -0.00010   0.00000  -0.00010  -0.01856
   D336      -0.03350   0.00076   0.00092   0.00000   0.00093  -0.03257
   D337       3.05450   0.00108   0.00101   0.00000   0.00101   3.05551
   D338       3.14093  -0.00011  -0.00021   0.00000  -0.00021   3.14072
   D339      -0.05426   0.00020  -0.00013   0.00000  -0.00012  -0.05438
   D340      -0.03262   0.00074   0.00090   0.00000   0.00090  -0.03172
   D341      -3.13854  -0.00019  -0.00031   0.00000  -0.00030  -3.13884
   D342       3.05253   0.00112   0.00105   0.00000   0.00106   3.05359
   D343      -0.05339   0.00018  -0.00016   0.00000  -0.00015  -0.05354
   D344      -0.02679  -0.00012  -0.00044   0.00000  -0.00044  -0.02724
   D345      -3.12383  -0.00083  -0.00119   0.00000  -0.00120  -3.12503
   D346       3.07924   0.00072   0.00062   0.00000   0.00063   3.07987
   D347      -0.01781   0.00001  -0.00013   0.00000  -0.00012  -0.01793
   D348       0.02845  -0.00027  -0.00019   0.00000  -0.00019   0.02825
   D349      -3.09503  -0.00031  -0.00019   0.00000  -0.00019  -3.09522
   D350       3.12550   0.00043   0.00055   0.00000   0.00055   3.12604
   D351       0.00202   0.00039   0.00055   0.00000   0.00055   0.00257
   D352       0.03128  -0.00036  -0.00030   0.00000  -0.00030   0.03097
   D353       3.12930   0.00038   0.00047   0.00000   0.00047   3.12977
   D354      -3.09468  -0.00037  -0.00023   0.00000  -0.00023  -3.09491
   D355       0.00334   0.00037   0.00054   0.00000   0.00054   0.00388
   D356      -0.02911  -0.00004  -0.00035   0.00000  -0.00035  -0.02947
   D357       3.07912   0.00078   0.00068   0.00000   0.00069   3.07981
   D358      -3.12713  -0.00079  -0.00113   0.00000  -0.00113  -3.12827
   D359      -0.01890   0.00004  -0.00010   0.00000  -0.00009  -0.01899
   D360      -0.03254   0.00074   0.00089   0.00000   0.00090  -0.03164
   D361       3.05385   0.00112   0.00105   0.00000   0.00105   3.05490
   D362      -3.14069  -0.00016  -0.00027   0.00000  -0.00026  -3.14095
   D363      -0.05430   0.00022  -0.00012   0.00000  -0.00011  -0.05441
   D364      -0.03176   0.00072   0.00088   0.00000   0.00088  -0.03088
   D365      -3.14154  -0.00009  -0.00018   0.00000  -0.00017   3.14147
   D366       3.05614   0.00101   0.00093   0.00000   0.00093   3.05707
   D367      -0.05364   0.00020  -0.00013   0.00000  -0.00012  -0.05376
   D368      -0.02812  -0.00008  -0.00038   0.00000  -0.00038  -0.02851
   D369      -3.12783  -0.00074  -0.00106   0.00000  -0.00107  -3.12890
   D370       3.08171   0.00067   0.00056   0.00000   0.00056   3.08227
   D371      -0.01800   0.00001  -0.00012   0.00000  -0.00012  -0.01812
   D372       0.02975  -0.00031  -0.00025   0.00000  -0.00025   0.02950
   D373      -3.09777  -0.00027  -0.00012   0.00000  -0.00012  -3.09789
   D374       3.12948   0.00033   0.00042   0.00000   0.00042   3.12990
   D375       0.00197   0.00038   0.00055   0.00000   0.00055   0.00252
   D376      -0.03146   0.00036   0.00031   0.00000   0.00031  -0.03115
   D377      -3.12710  -0.00041  -0.00052   0.00000  -0.00052  -3.12762
   D378       3.09314   0.00038   0.00026   0.00000   0.00026   3.09339
   D379      -0.00251  -0.00039  -0.00057   0.00000  -0.00057  -0.00308
   D380       0.02848   0.00007   0.00038   0.00000   0.00038   0.02886
   D381      -3.07736  -0.00079  -0.00071   0.00000  -0.00072  -3.07808
   D382       3.12412   0.00085   0.00121   0.00000   0.00122   3.12534
   D383       0.01828  -0.00002   0.00012   0.00000   0.00012   0.01840
   D384       0.03422  -0.00080  -0.00098   0.00000  -0.00098   0.03324
   D385      -3.05125  -0.00116  -0.00110   0.00000  -0.00110  -3.05235
   D386       3.13996   0.00015   0.00026   0.00000   0.00025   3.14021
   D387       0.05449  -0.00020   0.00014   0.00000   0.00013   0.05462
   D388       0.03257  -0.00074  -0.00089   0.00000  -0.00090   0.03167
   D389       3.14008   0.00019   0.00031   0.00000   0.00031   3.14039
   D390      -3.05517  -0.00109  -0.00103   0.00000  -0.00104  -3.05620
   D391       0.05234  -0.00016   0.00017   0.00000   0.00017   0.05251
   D392       0.02705   0.00010   0.00042   0.00000   0.00043   0.02748
   D393       3.12570   0.00082   0.00117   0.00000   0.00117   3.12688
   D394      -3.08057  -0.00074  -0.00065   0.00000  -0.00065  -3.08122
   D395       0.01808  -0.00003   0.00010   0.00000   0.00010   0.01818
   D396      -0.02891   0.00029   0.00021   0.00000   0.00021  -0.02870
   D397       3.09803   0.00029   0.00013   0.00000   0.00013   3.09816
   D398      -3.12758  -0.00042  -0.00053   0.00000  -0.00053  -3.12810
   D399      -0.00064  -0.00042  -0.00060   0.00000  -0.00061  -0.00125
   D400       1.04517   0.00851   0.01080   0.00000   0.01075   1.05592
   D401      -1.27547   0.00976   0.01351   0.00000   0.01414  -1.26133
   D402       3.01058  -0.01914  -0.02614   0.00000  -0.02722   2.98336
   D403      -2.62328  -0.00346  -0.00306   0.00000  -0.00308  -2.62636
   D404      -0.36262  -0.01755  -0.02377   0.00000  -0.02470  -0.38731
   D405       1.54706   0.01561   0.02316   0.00000   0.02411   1.57117
   D406      -3.13289  -0.00636  -0.00786   0.00000  -0.00792  -3.14081
   D407      -1.05530  -0.00686  -0.00893   0.00000  -0.00902  -1.06432
   D408       1.05905  -0.00903  -0.01130   0.00000  -0.01138   1.04767
   D409      -3.13689   0.00018   0.00022   0.00000   0.00022  -3.13667
   D410      -1.03932   0.00125   0.00134   0.00000   0.00134  -1.03798
   D411       1.05031  -0.00192  -0.00211   0.00000  -0.00211   1.04820
   D412      -3.13813  -0.00033  -0.00014   0.00000  -0.00018  -3.13831
   D413      -1.04508  -0.00078  -0.00074   0.00000  -0.00078  -1.04586
   D414       1.05322  -0.00009  -0.00004   0.00000  -0.00008   1.05314
   D415       1.06061   0.00087   0.00058   0.00000   0.00062   1.06122
   D416      -3.12953   0.00043  -0.00002   0.00000   0.00001  -3.12951
   D417      -1.03123   0.00111   0.00067   0.00000   0.00071  -1.03052
   D418      -1.05615  -0.00019   0.00026   0.00000   0.00026  -1.05589
   D419       1.03690  -0.00063  -0.00035   0.00000  -0.00035   1.03656
   D420       3.13520   0.00005   0.00035   0.00000   0.00035   3.13555
   D421       1.52560  -0.00288  -0.00329   0.00000  -0.00334   1.52226
   D422      -2.68741  -0.00465  -0.00545   0.00000  -0.00549  -2.69290
   D423      -0.57526  -0.00091  -0.00154   0.00000  -0.00159  -0.57684
   D424      -1.55505   0.00115   0.00081   0.00000   0.00089  -1.55415
   D425       2.65424   0.00142   0.00112   0.00000   0.00112   2.65537
   D426       0.55162  -0.00070  -0.00025   0.00000  -0.00024   0.55137
   D427       1.04759   0.00014   0.00006   0.00000   0.00006   1.04765
   D428       3.14103  -0.00012  -0.00031   0.00000  -0.00031   3.14073
   D429      -1.05016  -0.00025  -0.00050   0.00000  -0.00050  -1.05066
   D430      -1.04406   0.00037   0.00021   0.00000   0.00022  -1.04384
   D431       1.04938   0.00011  -0.00015   0.00000  -0.00015   1.04924
   D432       3.14137  -0.00002  -0.00034   0.00000  -0.00034   3.14103
   D433      -3.13785   0.00015   0.00065   0.00000   0.00064  -3.13721
   D434      -1.04441  -0.00011   0.00028   0.00000   0.00027  -1.04413
   D435       1.04758  -0.00024   0.00009   0.00000   0.00008   1.04766
   D436      -1.64571   0.00117   0.00161   0.00000   0.00166  -1.64405
   D437      -1.58836   0.00260   0.00297   0.00000   0.00302  -1.58535
   D438       0.32766   0.00072   0.00117   0.00000   0.00119   0.32885
   D439       0.90391   0.00041   0.00131   0.00000   0.00132   0.90523
   D440       0.71279   0.00031  -0.00054   0.00000  -0.00049   0.71230
   D441      -0.32134   0.00027  -0.00009   0.00000  -0.00009  -0.32143
         Item               Value     Threshold  Converged?
 Maximum Force            0.040953     0.000450     NO 
 RMS     Force            0.009201     0.000300     NO 
 Maximum Displacement     0.698962     0.001800     NO 
 RMS     Displacement     0.148442     0.001200     NO 
 Predicted change in Energy=-5.756470D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.595775    2.952468    0.000327
      2          6           0       -1.893356    1.586968   -0.146501
      3          6           0       -0.948876    0.548041   -0.236149
      4          6           0        0.430854    0.896813   -0.197129
      5          6           0        0.758068    2.255022   -0.029049
      6          6           0       -0.208623    3.242798    0.072309
      7          6           0       -1.302636   -0.849576   -0.440126
      8          6           0       -0.275093   -1.829932   -0.657999
      9          6           0        1.118168   -1.524294   -0.474934
     10          6           0        1.463840   -0.125668   -0.302567
     11          6           0       -2.631393   -1.297191   -0.419102
     12          6           0       -3.070305   -2.604908   -0.713212
     13          6           0       -2.043810   -3.464325   -1.183445
     14          6           0       -0.719923   -3.076431   -1.161453
     15          7           0        2.151028   -2.449057   -0.424695
     16          6           0        3.471582   -2.008297   -0.469763
     17          6           0        3.752071   -0.612690   -0.369380
     18          7           0        2.736158    0.278714   -0.281771
     19          6           0        4.588319   -2.837211   -0.690177
     20          6           0        5.885597   -2.345860   -0.676740
     21          6           0        6.206558   -0.973695   -0.461990
     22          6           0        5.086032   -0.139509   -0.354860
     23          6           0       -2.627590    3.995220    0.049372
     24          6           0       -4.464054   -3.029078   -0.582007
     25          6           0        7.585437   -0.481355   -0.374947
     26          6           0       -4.912441   -4.323957   -0.928316
     27          6           0       -6.223031   -4.751775   -0.750511
     28          6           0       -7.242944   -3.932365   -0.212672
     29          6           0       -6.799233   -2.628710    0.111875
     30          6           0       -5.486249   -2.204693   -0.058634
     31          6           0       -2.338822    5.358842    0.279957
     32          6           0       -3.307729    6.357410    0.295756
     33          6           0       -4.684470    6.109146    0.092075
     34          6           0       -4.976621    4.742085   -0.119644
     35          6           0       -4.005103    3.746300   -0.141923
     36          6           0        8.716990   -1.304433   -0.567501
     37          6           0       10.025147   -0.847421   -0.442412
     38          6           0       10.353578    0.488089   -0.115777
     39          6           0        9.219697    1.315206    0.060402
     40          6           0        7.912431    0.856161   -0.059718
     41          7           0       -5.663820    7.118163    0.098399
     42          7           0       -8.562786   -4.370161   -0.016387
     43          7           0       11.674033    0.948917    0.024233
     44          6           0       -8.974485   -5.704802    0.185289
     45          6           0      -10.388728   -5.739406    0.349980
     46          6           0      -10.857251   -4.370179    0.262442
     47          6           0       -9.713374   -3.555266    0.027591
     48          6           0       -7.030870    6.950074    0.401212
     49          6           0       -7.695729    8.204545    0.287850
     50          6           0       -6.691169    9.181295   -0.083858
     51          6           0       -5.456810    8.480679   -0.202323
     52          6           0       12.115172    2.277733   -0.146795
     53          6           0       13.517222    2.341981    0.095227
     54          6           0       13.952688    0.995812    0.410783
     55          6           0       12.795803    0.166106    0.369671
     56          6           0      -12.149511   -3.837059    0.361384
     57          6           0      -12.328644   -2.464329    0.191901
     58          6           0      -11.221351   -1.652780   -0.109767
     59          6           0       -9.935528   -2.184354   -0.211339
     60          6           0       -8.276185   -6.916952    0.355942
     61          6           0       -8.973467   -8.105709    0.572213
     62          6           0      -10.375985   -8.127428    0.663881
     63          6           0      -11.089551   -6.932959    0.569286
     64          6           0       -6.798691   10.558205   -0.322476
     65          6           0       -5.664776   11.264899   -0.721970
     66          6           0       -4.452583   10.579043   -0.912607
     67          6           0       -4.346876    9.207899   -0.677527
     68          6           0       -7.789696    5.859062    0.870723
     69          6           0       -9.156984    6.003375    1.107309
     70          6           0       -9.807657    7.235681    0.923102
     71          6           0       -9.068981    8.350419    0.527437
     72          6           0       15.223468    0.496228    0.726670
     73          6           0       15.358275   -0.854892    1.044363
     74          6           0       14.217565   -1.675682    1.078152
     75          6           0       12.952259   -1.176999    0.767141
     76          6           0       11.482996    3.456682   -0.590195
     77          6           0       12.201640    4.649062   -0.679159
     78          6           0       13.571714    4.704894   -0.369826
     79          6           0       14.239997    3.539215    0.003723
     80          8           0        0.656811   -4.539328    0.658094
     81         15           0        1.907659   -4.181383   -0.050776
     82          8           0        3.144601   -4.938269    0.721352
     83          8           0        2.076076   -4.952480   -1.483986
     84          6           0        3.629048   -4.542462    2.009172
     85          6           0        4.773108   -5.470818    2.395746
     86          6           0        1.358411   -6.168482   -1.698391
     87          6           0        1.696673   -6.673871   -3.092612
     88          1           0       -2.943692    1.327629   -0.221336
     89          1           0        1.792824    2.584446    0.023873
     90          1           0        0.171013    4.257201    0.179949
     91          1           0       -3.397706   -0.583554   -0.140445
     92          1           0       -2.238101   -4.467364   -1.557385
     93          1           0       -0.023210   -3.783834   -1.600358
     94          1           0        4.484208   -3.900769   -0.899822
     95          1           0        6.658858   -3.096486   -0.829448
     96          1           0        5.185464    0.937986   -0.254417
     97          1           0       -4.245337   -5.059879   -1.373683
     98          1           0       -6.443775   -5.741763   -1.139074
     99          1           0       -7.448346   -1.924899    0.624807
    100          1           0       -5.283856   -1.194856    0.296027
    101          1           0       -1.327582    5.700883    0.493431
    102          1           0       -2.949863    7.343923    0.575979
    103          1           0       -5.977568    4.416759   -0.388156
    104          1           0       -4.382406    2.750304   -0.371133
    105          1           0        8.619671   -2.351014   -0.853665
    106          1           0       10.793846   -1.567955   -0.706361
    107          1           0        9.318700    2.337193    0.413982
    108          1           0        7.142638    1.593680    0.163225
    109          1           0      -13.009264   -4.478184    0.554546
    110          1           0      -13.327360   -2.029303    0.254337
    111          1           0      -11.374320   -0.589029   -0.297448
    112          1           0       -9.157410   -1.494994   -0.529481
    113          1           0       -7.191953   -6.989640    0.385026
    114          1           0       -8.415592   -9.033794    0.704707
    115          1           0      -10.899647   -9.066724    0.848855
    116          1           0      -12.173413   -6.936436    0.682731
    117          1           0       -7.752047   11.075362   -0.214897
    118          1           0       -5.727584   12.335391   -0.923971
    119          1           0       -3.582616   11.124595   -1.280966
    120          1           0       -3.392616    8.754112   -0.933232
    121          1           0       -7.362802    4.890617    1.119087
    122          1           0       -9.726902    5.146842    1.470536
    123          1           0      -10.875988    7.328684    1.125578
    124          1           0       -9.558011    9.318598    0.421891
    125          1           0       16.096286    1.148731    0.742358
    126          1           0       16.336021   -1.262610    1.306175
    127          1           0       14.318589   -2.717667    1.385131
    128          1           0       12.122773   -1.865899    0.905154
    129          1           0       10.450591    3.496418   -0.928437
    130          1           0       11.695701    5.551455   -1.025605
    131          1           0       14.117167    5.645717   -0.459645
    132          1           0       15.310601    3.566902    0.205621
    133          1           0        4.002782   -3.512739    1.963644
    134          1           0        2.810207   -4.620677    2.742512
    135          1           0        5.168938   -5.197674    3.384146
    136          1           0        4.438846   -6.518015    2.439913
    137          1           0        5.597981   -5.409591    1.669398
    138          1           0        1.652870   -6.911021   -0.940650
    139          1           0        0.275839   -5.988662   -1.613667
    140          1           0        2.774665   -6.863862   -3.195738
    141          1           0        1.163602   -7.613127   -3.299436
    142          1           0        1.407013   -5.941326   -3.860560
    143         17           0        1.550559   -1.769333    2.492896
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0187310           0.0071995           0.0052973
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13382.7778920596 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  1.46D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999991   -0.000512    0.000061   -0.004227 Ang=  -0.49 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.58884646     A.U. after   17 cycles
            NFock= 17  Conv=0.25D-08     -V/T= 2.0088
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.022329345   -0.006758698    0.000698221
      2        6          -0.013300110   -0.004222892   -0.001257568
      3        6           0.006610724    0.014924946    0.002111098
      4        6          -0.009601445   -0.002057427    0.001918581
      5        6           0.000176889    0.006122279    0.000069339
      6        6           0.000718432    0.002621351   -0.001212051
      7        6           0.003774672   -0.010949616    0.004142251
      8        6          -0.001391969   -0.009517329   -0.011817610
      9        6          -0.010377950    0.001603278    0.020613638
     10        6           0.030314964    0.010331662   -0.000170652
     11        6          -0.012439379   -0.000793490    0.001260446
     12        6           0.019689789    0.011108500   -0.002659406
     13        6          -0.000324539   -0.001345164   -0.000759580
     14        6           0.001807187   -0.006410643   -0.003157571
     15        7           0.008941119   -0.006424515   -0.020932170
     16        6           0.015854441    0.013618640   -0.003264497
     17        6          -0.007700231   -0.008799947    0.000559235
     18        7          -0.015348970    0.002377518    0.000124910
     19        6           0.005591387   -0.008601965   -0.002649717
     20        6           0.001172069   -0.001830996    0.001912331
     21        6          -0.018440495   -0.010870523   -0.002813747
     22        6           0.002920632    0.005267254    0.000237936
     23        6          -0.017744037    0.007849334   -0.000084523
     24        6          -0.014857905   -0.009808770    0.001415879
     25        6           0.014938095    0.011342167    0.001958384
     26        6           0.002576998    0.000688721   -0.000909026
     27        6          -0.004163384   -0.009072053   -0.008581287
     28        6           0.018903496    0.014854973   -0.002562520
     29        6          -0.008115505   -0.000575649    0.010195611
     30        6           0.001401723    0.002042921    0.001852435
     31        6           0.003089722   -0.000261534    0.001163854
     32        6          -0.005121586    0.008800524    0.008322012
     33        6           0.022247729   -0.011314221    0.001375172
     34        6          -0.009282431   -0.001505144   -0.009311434
     35        6           0.001932739   -0.002144717   -0.002177550
     36        6          -0.002196057   -0.002576130   -0.001319966
     37        6           0.010938026    0.000841961   -0.007315604
     38        6          -0.019181533   -0.014732804   -0.003686803
     39        6           0.001459026    0.008454529    0.009656984
     40        6          -0.002958209   -0.001449294    0.001733650
     41        7           0.001946303   -0.000819287    0.000141710
     42        7           0.002660943    0.001693881   -0.000488182
     43        7          -0.001741457   -0.001826582   -0.000397185
     44        6          -0.004698033   -0.020237472    0.008217425
     45        6          -0.003205593    0.006029981   -0.002548901
     46        6           0.005226589   -0.004368877    0.002291900
     47        6          -0.021442719    0.000444035   -0.004703273
     48        6          -0.020139657   -0.003488483    0.007549051
     49        6           0.004135407    0.005163092   -0.003265521
     50        6          -0.002064094   -0.006285532    0.003401652
     51        6          -0.008472647    0.017806789   -0.009248100
     52        6           0.006083100    0.020152076   -0.005985958
     53        6           0.002555895   -0.005994875    0.003219792
     54        6          -0.004521956    0.004461079   -0.003621650
     55        6           0.018959821    0.000044162    0.011005908
     56        6          -0.000870472    0.005686304   -0.001309057
     57        6           0.000487680   -0.001089559   -0.000687056
     58        6          -0.003217488   -0.005831304   -0.000124348
     59        6           0.007796634    0.008552939   -0.002948868
     60        6           0.010845327    0.005451191    0.000539719
     61        6          -0.006558986   -0.001520204    0.001384504
     62        6          -0.000717042    0.000871175    0.000638736
     63        6           0.005367470   -0.002304941    0.000870505
     64        6           0.004833342    0.003120221   -0.001574194
     65        6          -0.000702946   -0.001019581   -0.000582699
     66        6          -0.006724289    0.000053878   -0.000514125
     67        6           0.011431339   -0.003327143   -0.001583006
     68        6           0.009323110   -0.006953044    0.002618812
     69        6          -0.003997798    0.005117345   -0.000065152
     70        6           0.000172481    0.001236052    0.000473094
     71        6           0.000426937   -0.005604045    0.001820475
     72        6           0.000607656   -0.005615518    0.001397333
     73        6          -0.000673747    0.000993834    0.000621176
     74        6           0.002856684    0.006062223    0.001172001
     75        6          -0.007935045   -0.008971137    0.000338946
     76        6          -0.009994547   -0.005484148   -0.003869057
     77        6           0.006527120    0.001646434    0.000513288
     78        6           0.001027736   -0.000853678   -0.000443643
     79        6          -0.004989695    0.002258622   -0.002289267
     80        8          -0.005078062    0.012910181   -0.009212228
     81       15           0.001098715   -0.060639965    0.033495260
     82        8          -0.006880909    0.024138356   -0.028635787
     83        8          -0.002070956    0.033807649    0.001933055
     84        6           0.003612387    0.003035739    0.022761822
     85        6           0.004116894   -0.005025001   -0.003589844
     86        6          -0.000956532   -0.018285475   -0.002529532
     87        6           0.002735873    0.001665058   -0.004535026
     88        1           0.001998420   -0.001359091    0.000754722
     89        1           0.002023003   -0.007507894   -0.000593959
     90        1          -0.004916268   -0.002552695   -0.000124292
     91        1           0.001812735    0.001961277   -0.000637281
     92        1          -0.004925695    0.001932734    0.001111492
     93        1          -0.002320699    0.005896974    0.002318251
     94        1          -0.004552599    0.003643897    0.002042199
     95        1          -0.000815647    0.004963147   -0.000051973
     96        1           0.000203847   -0.002163307    0.000024822
     97        1          -0.000298481    0.004364944    0.001637655
     98        1          -0.004057768    0.000356224    0.003586684
     99        1          -0.001287138   -0.004389881   -0.003142021
    100        1           0.003856931   -0.001958210   -0.002216529
    101        1           0.000526317   -0.004557199   -0.001283331
    102        1          -0.004222062   -0.001276357   -0.003014342
    103        1          -0.001646759    0.004236308    0.002910281
    104        1           0.003741107    0.002653045    0.001668489
    105        1          -0.003900459    0.001879786    0.000941196
    106        1           0.000347271    0.004354333    0.003254430
    107        1           0.004838917   -0.000026960   -0.002504076
    108        1           0.000989906   -0.004167004   -0.001714201
    109        1           0.003324860    0.001138934   -0.000326463
    110        1           0.003881483   -0.000013962    0.000695732
    111        1           0.002963180   -0.002610528    0.000926582
    112        1           0.003730888   -0.004178650    0.003286467
    113        1          -0.003552169    0.004472169   -0.003327416
    114        1          -0.001850020    0.003468350   -0.001150049
    115        1           0.000866521    0.003638072   -0.001421747
    116        1           0.001995283    0.002931746   -0.000435260
    117        1           0.002577090   -0.002521420    0.000425860
    118        1           0.001611711   -0.003290727    0.001486079
    119        1          -0.001096415   -0.003539403    0.001619902
    120        1          -0.002342890   -0.004746499    0.004223090
    121        1           0.002643395    0.004517118   -0.003938161
    122        1           0.002245558    0.003030293   -0.001461494
    123        1           0.003816241    0.000590563   -0.001152280
    124        1           0.003450355   -0.000592228    0.000025084
    125        1          -0.003255788   -0.001277147   -0.000775713
    126        1          -0.003521776   -0.000034884   -0.001892007
    127        1          -0.002626402    0.002554031   -0.001769529
    128        1          -0.002931476    0.004201112   -0.004307699
    129        1           0.002575957   -0.004443310    0.004098329
    130        1           0.001532340   -0.003486081    0.001564863
    131        1          -0.001156564   -0.003693854    0.000987450
    132        1          -0.001957704   -0.002973898   -0.000303844
    133        1          -0.005598013   -0.003049706    0.001953906
    134        1           0.001732549    0.006493112   -0.005250462
    135        1          -0.002557573   -0.000377063   -0.003160500
    136        1          -0.000252052    0.003469600   -0.000053183
    137        1          -0.002677990   -0.000806882    0.002287575
    138        1          -0.003351755    0.002732124   -0.001536391
    139        1           0.003975041    0.000973009    0.002956603
    140        1          -0.003608801   -0.000468134    0.000757767
    141        1          -0.000080132    0.003121555    0.001984420
    142        1           0.001315988   -0.001842047    0.003048537
    143       17          -0.001240042    0.002647084   -0.001367450
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.060639965 RMS     0.007539862

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.021326471 RMS     0.004059202
 Search for a local minimum.
 Step number   4 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    3    4
 ITU=  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00417   0.00421   0.01052   0.01514   0.01610
     Eigenvalues ---    0.01981   0.02395   0.02574   0.02590   0.02612
     Eigenvalues ---    0.02648   0.02659   0.02695   0.02696   0.02702
     Eigenvalues ---    0.02703   0.02707   0.02711   0.02713   0.02715
     Eigenvalues ---    0.02721   0.02723   0.02726   0.02727   0.02738
     Eigenvalues ---    0.02755   0.02766   0.02769   0.02770   0.02773
     Eigenvalues ---    0.02774   0.02780   0.02788   0.02788   0.02789
     Eigenvalues ---    0.02791   0.02792   0.02792   0.02792   0.02792
     Eigenvalues ---    0.02793   0.02793   0.02794   0.02794   0.02799
     Eigenvalues ---    0.02799   0.02801   0.02802   0.02805   0.02809
     Eigenvalues ---    0.02810   0.02810   0.02812   0.02813   0.02816
     Eigenvalues ---    0.02816   0.02817   0.02819   0.02820   0.02824
     Eigenvalues ---    0.02825   0.02825   0.02825   0.02825   0.02825
     Eigenvalues ---    0.02825   0.02826   0.02826   0.02826   0.02829
     Eigenvalues ---    0.02834   0.02846   0.02846   0.02847   0.02847
     Eigenvalues ---    0.02848   0.02849   0.02854   0.02858   0.02871
     Eigenvalues ---    0.02872   0.02872   0.02873   0.02875   0.02876
     Eigenvalues ---    0.02876   0.02877   0.02878   0.02879   0.02880
     Eigenvalues ---    0.02881   0.02881   0.02881   0.02884   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02886   0.02886   0.02886
     Eigenvalues ---    0.02887   0.02888   0.02899   0.02901   0.02901
     Eigenvalues ---    0.02904   0.02904   0.02908   0.02911   0.02913
     Eigenvalues ---    0.02913   0.02925   0.02925   0.02925   0.02944
     Eigenvalues ---    0.02955   0.02959   0.02960   0.02960   0.03024
     Eigenvalues ---    0.03025   0.03025   0.03133   0.03133   0.03134
     Eigenvalues ---    0.03146   0.03149   0.03153   0.03202   0.03913
     Eigenvalues ---    0.04096   0.04575   0.04663   0.05390   0.05527
     Eigenvalues ---    0.05539   0.05619   0.05620   0.05764   0.05878
     Eigenvalues ---    0.05969   0.07101   0.08663   0.08941   0.10566
     Eigenvalues ---    0.11238   0.12230   0.13657   0.14498   0.15844
     Eigenvalues ---    0.15893   0.15900   0.15905   0.15927   0.15933
     Eigenvalues ---    0.15938   0.15954   0.15973   0.15973   0.15975
     Eigenvalues ---    0.15975   0.15975   0.15979   0.15980   0.15983
     Eigenvalues ---    0.15984   0.15985   0.15986   0.15986   0.15986
     Eigenvalues ---    0.15987   0.15987   0.15991   0.15993   0.15994
     Eigenvalues ---    0.15994   0.15994   0.15995   0.15995   0.15995
     Eigenvalues ---    0.15995   0.15995   0.15996   0.15997   0.15998
     Eigenvalues ---    0.15998   0.15998   0.15998   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16003   0.17169   0.17892   0.19784   0.20970
     Eigenvalues ---    0.21994   0.21995   0.21995   0.21995   0.21995
     Eigenvalues ---    0.21996   0.22005   0.22007   0.22008   0.22008
     Eigenvalues ---    0.22271   0.22348   0.22421   0.22534   0.22581
     Eigenvalues ---    0.22582   0.22586   0.22586   0.22587   0.22591
     Eigenvalues ---    0.22904   0.22918   0.22919   0.23347   0.23422
     Eigenvalues ---    0.23481   0.23800   0.24002   0.24003   0.24349
     Eigenvalues ---    0.24379   0.24381   0.24383   0.24413   0.24431
     Eigenvalues ---    0.24432   0.24585   0.24599   0.24808   0.24865
     Eigenvalues ---    0.24866   0.24893   0.24931   0.24931   0.24932
     Eigenvalues ---    0.24977   0.24982   0.24986   0.24991   0.24992
     Eigenvalues ---    0.24998   0.24998   0.24998   0.24998   0.24999
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25025
     Eigenvalues ---    0.26355   0.29092   0.29763   0.29787   0.30107
     Eigenvalues ---    0.32004   0.32095   0.32127   0.32138   0.32146
     Eigenvalues ---    0.32149   0.32153   0.32191   0.33243   0.33247
     Eigenvalues ---    0.33253   0.33257   0.33264   0.33275   0.33293
     Eigenvalues ---    0.33366   0.33388   0.33391   0.33391   0.33416
     Eigenvalues ---    0.33418   0.33539   0.33556   0.33564   0.33574
     Eigenvalues ---    0.33582   0.33585   0.33590   0.33598   0.33635
     Eigenvalues ---    0.33636   0.33638   0.33642   0.33645   0.33664
     Eigenvalues ---    0.33717   0.33721   0.33810   0.33818   0.33827
     Eigenvalues ---    0.33837   0.33846   0.33869   0.33897   0.33900
     Eigenvalues ---    0.33940   0.33942   0.33951   0.33958   0.33960
     Eigenvalues ---    0.34208   0.34907   0.34920   0.39045   0.41458
     Eigenvalues ---    0.42965   0.43483   0.44441   0.44444   0.44449
     Eigenvalues ---    0.44537   0.45082   0.47943   0.48974   0.48982
     Eigenvalues ---    0.49015   0.49030   0.49198   0.49272   0.49313
     Eigenvalues ---    0.49350   0.49549   0.49847   0.50420   0.50436
     Eigenvalues ---    0.50444   0.50462   0.50468   0.50471   0.50476
     Eigenvalues ---    0.50478   0.50489   0.50916   0.51683   0.52109
     Eigenvalues ---    0.52398   0.52698   0.53201   0.53412   0.53938
     Eigenvalues ---    0.54146   0.54170   0.54240   0.54242   0.54247
     Eigenvalues ---    0.54250   0.54450   0.55080   0.55203   0.55314
     Eigenvalues ---    0.55342   0.55357   0.55363   0.55376   0.55388
     Eigenvalues ---    0.55413   0.55482   0.55578   0.55599   0.55725
     Eigenvalues ---    0.55732   0.55744   0.55789   0.55931   0.55939
     Eigenvalues ---    0.56022   0.56138   0.56143   0.56144   0.56256
     Eigenvalues ---    0.56277   0.56310   0.56357   0.56661   0.56663
     Eigenvalues ---    0.56669   0.56671   0.56679   0.56685   0.56798
     Eigenvalues ---    0.56890   0.56903   0.56913   0.57084   0.57172
     Eigenvalues ---    0.57176   0.57189   0.57194   0.57206   0.57256
     Eigenvalues ---    0.59906   0.62391   0.66099   0.66108   0.67611
     Eigenvalues ---    0.67621   0.67628   0.69355   0.70039   0.70092
     Eigenvalues ---    0.73489   0.77346   0.79920
 RFO step:  Lambda=-5.43737107D-02 EMin= 4.17394228D-03
 Quartic linear search produced a step of -0.00895.
 Iteration  1 RMS(Cart)=  0.18151195 RMS(Int)=  0.00175716
 Iteration  2 RMS(Cart)=  0.00612266 RMS(Int)=  0.00034808
 Iteration  3 RMS(Cart)=  0.00000633 RMS(Int)=  0.00034807
 Iteration  4 RMS(Cart)=  0.00000001 RMS(Int)=  0.00034807
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.65552  -0.00464  -0.00034  -0.00598  -0.00628   2.64924
    R2        2.68159  -0.00438  -0.00047  -0.00473  -0.00518   2.67641
    R3        2.77370   0.00347  -0.00067   0.00863   0.00796   2.78167
    R4        2.65871  -0.00502  -0.00033  -0.00713  -0.00745   2.65126
    R5        2.04934  -0.00101   0.00003  -0.00262  -0.00259   2.04675
    R6        2.69034  -0.00826  -0.00049  -0.01209  -0.01258   2.67776
    R7        2.75154   0.00330  -0.00063   0.00840   0.00782   2.75936
    R8        2.65911  -0.00455  -0.00038  -0.00611  -0.00652   2.65260
    R9        2.75385  -0.00396  -0.00067  -0.00454  -0.00523   2.74862
   R10        2.61880  -0.00338  -0.00030  -0.00395  -0.00426   2.61454
   R11        2.05454  -0.00294   0.00010  -0.00804  -0.00793   2.04661
   R12        2.05687  -0.00264   0.00007  -0.00704  -0.00697   2.04990
   R13        2.71517  -0.00236  -0.00052  -0.00090  -0.00144   2.71373
   R14        2.64993  -0.00520  -0.00030  -0.00769  -0.00796   2.64197
   R15        2.71760   0.00276  -0.00049   0.00715   0.00663   2.72422
   R16        2.67588  -0.00173  -0.00045  -0.00058  -0.00107   2.67481
   R17        2.74196   0.00153  -0.00062   0.00467   0.00397   2.74593
   R18        2.62156  -0.00041  -0.00038   0.00192   0.00174   2.62329
   R19        5.68648  -0.00456   0.00005  -0.05418  -0.05415   5.63233
   R20        2.52316  -0.01988  -0.00044  -0.02376  -0.02413   2.49903
   R21        2.66530  -0.00680  -0.00039  -0.01002  -0.01035   2.65494
   R22        2.04768  -0.00099   0.00004  -0.00261  -0.00257   2.04511
   R23        2.68142  -0.00499  -0.00048  -0.00615  -0.00662   2.67480
   R24        2.76422   0.00321  -0.00064   0.00807   0.00743   2.77165
   R25        2.60729  -0.00238  -0.00026  -0.00240  -0.00268   2.60461
   R26        2.05595  -0.00292   0.00007  -0.00776  -0.00769   2.04827
   R27        2.05143  -0.00517   0.00006  -0.01323  -0.01317   2.03827
   R28        2.63219   0.00456  -0.00047   0.01076   0.01019   2.64239
   R29        3.38044   0.00405  -0.00006   0.00706   0.00705   3.38749
   R30        5.77370   0.00471  -0.00007   0.03692   0.03696   5.81066
   R31        2.69673  -0.00239  -0.00055  -0.00124  -0.00180   2.69494
   R32        2.66095  -0.00165  -0.00039  -0.00023  -0.00064   2.66031
   R33        2.55941  -0.00302  -0.00061  -0.00299  -0.00348   2.55593
   R34        2.67485  -0.00703  -0.00043  -0.01009  -0.01054   2.66432
   R35        2.62157  -0.00438  -0.00028  -0.00538  -0.00564   2.61593
   R36        2.05793  -0.00493   0.00006  -0.01277  -0.01270   2.04523
   R37        2.69375  -0.00392  -0.00050  -0.00471  -0.00516   2.68859
   R38        2.05684  -0.00281   0.00008  -0.00751  -0.00744   2.04941
   R39        2.64759  -0.00863  -0.00033  -0.01355  -0.01386   2.63373
   R40        2.77171   0.00314  -0.00068   0.00805   0.00737   2.77908
   R41        2.05361  -0.00214   0.00009  -0.00586  -0.00577   2.04784
   R42        2.66982  -0.00444  -0.00041  -0.00545  -0.00591   2.66390
   R43        2.66987  -0.00425  -0.00041  -0.00514  -0.00561   2.66426
   R44        2.67094  -0.00399  -0.00041  -0.00467  -0.00514   2.66579
   R45        2.67142  -0.00383  -0.00041  -0.00444  -0.00491   2.66651
   R46        2.66910  -0.00444  -0.00041  -0.00541  -0.00588   2.66322
   R47        2.66930  -0.00426  -0.00041  -0.00515  -0.00562   2.66368
   R48        2.62685  -0.00279  -0.00029  -0.00322  -0.00352   2.62333
   R49        2.05708  -0.00275   0.00007  -0.00735  -0.00727   2.04981
   R50        2.67309  -0.00708  -0.00042  -0.00989  -0.01026   2.66284
   R51        2.05258  -0.00210   0.00008  -0.00569  -0.00561   2.04697
   R52        2.67363  -0.00707  -0.00042  -0.00989  -0.01026   2.66337
   R53        2.65382  -0.00380  -0.00073  -0.00229  -0.00302   2.65080
   R54        2.62719  -0.00277  -0.00029  -0.00322  -0.00351   2.62367
   R55        2.05259  -0.00214   0.00008  -0.00580  -0.00572   2.04687
   R56        2.05843  -0.00310   0.00007  -0.00822  -0.00815   2.05028
   R57        2.62948  -0.00286  -0.00030  -0.00332  -0.00363   2.62586
   R58        2.05726  -0.00265   0.00007  -0.00708  -0.00701   2.05025
   R59        2.67150  -0.00723  -0.00042  -0.01013  -0.01049   2.66100
   R60        2.05260  -0.00200   0.00008  -0.00545  -0.00537   2.04723
   R61        2.67183  -0.00709  -0.00042  -0.00990  -0.01026   2.66157
   R62        2.65725  -0.00346  -0.00074  -0.00179  -0.00253   2.65472
   R63        2.62932  -0.00284  -0.00030  -0.00330  -0.00360   2.62572
   R64        2.05262  -0.00208   0.00008  -0.00561  -0.00554   2.04708
   R65        2.05876  -0.00300   0.00007  -0.00796  -0.00789   2.05087
   R66        2.62922  -0.00272  -0.00030  -0.00308  -0.00338   2.62584
   R67        2.05858  -0.00295   0.00007  -0.00787  -0.00779   2.05079
   R68        2.67124  -0.00709  -0.00041  -0.00993  -0.01029   2.66095
   R69        2.05254  -0.00203   0.00008  -0.00552  -0.00544   2.04710
   R70        2.67304  -0.00711  -0.00042  -0.00994  -0.01030   2.66274
   R71        2.65610  -0.00351  -0.00074  -0.00188  -0.00261   2.65349
   R72        2.62807  -0.00279  -0.00030  -0.00323  -0.00353   2.62455
   R73        2.05214  -0.00197   0.00008  -0.00533  -0.00526   2.04688
   R74        2.05817  -0.00286   0.00007  -0.00763  -0.00755   2.05062
   R75        2.66497  -0.00236  -0.00076  -0.00029  -0.00104   2.66392
   R76        2.66561  -0.00261  -0.00076  -0.00063  -0.00139   2.66422
   R77        2.66675  -0.00217  -0.00076  -0.00000  -0.00076   2.66598
   R78        2.66568  -0.00211  -0.00076   0.00011  -0.00066   2.66502
   R79        2.66552  -0.00227  -0.00076  -0.00016  -0.00091   2.66461
   R80        2.66611  -0.00249  -0.00076  -0.00045  -0.00122   2.66490
   R81        2.69139  -0.00639  -0.00051  -0.00869  -0.00915   2.68224
   R82        2.66314  -0.00904  -0.00038  -0.01329  -0.01362   2.64952
   R83        2.73975  -0.00031  -0.00075   0.00234   0.00159   2.74134
   R84        2.64819  -0.00474  -0.00039  -0.00617  -0.00657   2.64163
   R85        2.69092  -0.00626  -0.00051  -0.00840  -0.00886   2.68206
   R86        2.64828  -0.00475  -0.00039  -0.00618  -0.00657   2.64170
   R87        2.66300  -0.00895  -0.00039  -0.01309  -0.01343   2.64957
   R88        2.69151  -0.00622  -0.00051  -0.00833  -0.00879   2.68272
   R89        2.66348  -0.00893  -0.00039  -0.01308  -0.01342   2.65007
   R90        2.73935  -0.00040  -0.00075   0.00224   0.00149   2.74085
   R91        2.64865  -0.00479  -0.00039  -0.00624  -0.00663   2.64202
   R92        2.69148  -0.00627  -0.00051  -0.00845  -0.00891   2.68257
   R93        2.64857  -0.00478  -0.00040  -0.00620  -0.00660   2.64198
   R94        2.66352  -0.00906  -0.00039  -0.01328  -0.01362   2.64990
   R95        2.69141  -0.00628  -0.00051  -0.00843  -0.00889   2.68252
   R96        2.66322  -0.00892  -0.00039  -0.01307  -0.01340   2.64982
   R97        2.73937  -0.00035  -0.00075   0.00231   0.00155   2.74093
   R98        2.64841  -0.00473  -0.00039  -0.00615  -0.00654   2.64187
   R99        2.69144  -0.00630  -0.00051  -0.00850  -0.00896   2.68248
   R100       2.64848  -0.00476  -0.00040  -0.00618  -0.00657   2.64191
   R101       2.66337  -0.00904  -0.00039  -0.01327  -0.01361   2.64976
   R102       2.63561  -0.00292  -0.00035  -0.00304  -0.00344   2.63217
   R103       2.05931  -0.00284   0.00007  -0.00757  -0.00750   2.05181
   R104       2.65620  -0.00176  -0.00041  -0.00068  -0.00114   2.65506
   R105       2.06195  -0.00387   0.00007  -0.01023  -0.01016   2.05179
   R106       2.63631  -0.00198  -0.00032  -0.00153  -0.00185   2.63446
   R107       2.06161  -0.00378   0.00008  -0.01008  -0.01000   2.05161
   R108       2.05442  -0.00255   0.00007  -0.00675  -0.00668   2.04774
   R109       2.63623  -0.00196  -0.00032  -0.00149  -0.00181   2.63442
   R110       2.05423  -0.00251   0.00007  -0.00663  -0.00657   2.04767
   R111       2.65635  -0.00178  -0.00041  -0.00069  -0.00115   2.65520
   R112       2.06155  -0.00379   0.00008  -0.01013  -0.01004   2.05151
   R113       2.63539  -0.00287  -0.00035  -0.00295  -0.00335   2.63204
   R114       2.06207  -0.00392   0.00007  -0.01036  -0.01028   2.05178
   R115       2.05940  -0.00287   0.00007  -0.00763  -0.00756   2.05184
   R116       2.63532  -0.00289  -0.00035  -0.00299  -0.00339   2.63193
   R117       2.05964  -0.00293   0.00007  -0.00781  -0.00774   2.05190
   R118       2.65649  -0.00171  -0.00041  -0.00059  -0.00106   2.65543
   R119       2.06206  -0.00388   0.00007  -0.01026  -0.01019   2.05187
   R120       2.63647  -0.00208  -0.00032  -0.00171  -0.00203   2.63444
   R121       2.06158  -0.00376   0.00008  -0.01002  -0.00994   2.05164
   R122       2.05444  -0.00254   0.00007  -0.00675  -0.00668   2.04776
   R123       2.63634  -0.00201  -0.00032  -0.00159  -0.00191   2.63443
   R124       2.05434  -0.00256   0.00007  -0.00676  -0.00669   2.04765
   R125       2.65632  -0.00172  -0.00041  -0.00062  -0.00108   2.65523
   R126       2.06178  -0.00381   0.00008  -0.01016  -0.01008   2.05170
   R127       2.63536  -0.00292  -0.00035  -0.00305  -0.00345   2.63192
   R128       2.06229  -0.00396   0.00007  -0.01049  -0.01042   2.05188
   R129       2.05942  -0.00286   0.00007  -0.00761  -0.00754   2.05189
   R130       2.63522  -0.00284  -0.00035  -0.00290  -0.00330   2.63192
   R131       2.05956  -0.00291   0.00007  -0.00776  -0.00768   2.05187
   R132       2.65643  -0.00174  -0.00041  -0.00064  -0.00110   2.65533
   R133       2.06211  -0.00391   0.00007  -0.01035  -0.01028   2.05183
   R134       2.63643  -0.00204  -0.00032  -0.00163  -0.00196   2.63447
   R135       2.06160  -0.00377   0.00008  -0.01008  -0.01000   2.05160
   R136       2.05423  -0.00247   0.00007  -0.00653  -0.00647   2.04776
   R137       2.63624  -0.00200  -0.00032  -0.00156  -0.00189   2.63436
   R138       2.05437  -0.00254   0.00007  -0.00673  -0.00666   2.04771
   R139       2.65633  -0.00173  -0.00041  -0.00063  -0.00109   2.65524
   R140       2.06172  -0.00381   0.00008  -0.01018  -0.01010   2.05162
   R141       2.63544  -0.00292  -0.00035  -0.00305  -0.00345   2.63199
   R142       2.06208  -0.00391   0.00007  -0.01034  -0.01027   2.05181
   R143       2.05947  -0.00288   0.00007  -0.00766  -0.00759   2.05188
   R144       2.79988  -0.00676   0.00006  -0.00808  -0.00802   2.79186
   R145       3.10461  -0.01545   0.00009  -0.03445  -0.03403   3.07058
   R146       3.09191  -0.01136   0.00014  -0.02466  -0.02452   3.06739
   R147       2.70557   0.01270  -0.00020   0.02887   0.02867   2.73423
   R148       2.69885   0.01170  -0.00014   0.02379   0.02365   2.72250
   R149       2.87844  -0.00170   0.00002  -0.00489  -0.00487   2.87357
   R150       2.07189  -0.00635   0.00011  -0.01303  -0.01293   2.05896
   R151       2.08248  -0.00396   0.00008  -0.01409  -0.01402   2.06846
   R152       2.07717  -0.00355   0.00010  -0.00984  -0.00974   2.06743
   R153       2.07896  -0.00347   0.00009  -0.00961  -0.00952   2.06944
   R154       2.08020  -0.00360   0.00009  -0.00995  -0.00986   2.07034
   R155       2.87443  -0.00159   0.00003  -0.00464  -0.00461   2.86982
   R156       2.08062  -0.00405   0.00009  -0.01120  -0.01110   2.06952
   R157       2.07996  -0.00402   0.00009  -0.01104  -0.01095   2.06902
   R158       2.07767  -0.00366   0.00009  -0.01011  -0.01002   2.06764
   R159       2.07796  -0.00339   0.00009  -0.00942  -0.00933   2.06864
   R160       2.07893  -0.00377   0.00009  -0.01042  -0.01033   2.06860
   R161       5.77310  -0.00717   0.00007  -0.05309  -0.05344   5.71966
   R162       5.90949   0.00002  -0.00000  -0.01740  -0.01741   5.89208
    A1        1.99448   0.00975  -0.00008   0.03436   0.03433   2.02881
    A2        2.14714  -0.00499   0.00008  -0.01775  -0.01769   2.12945
    A3        2.14139  -0.00476  -0.00000  -0.01657  -0.01659   2.12480
    A4        2.19205  -0.00948   0.00009  -0.03358  -0.03347   2.15858
    A5        2.03162   0.00697  -0.00008   0.02735   0.02725   2.05887
    A6        2.05917   0.00252  -0.00002   0.00638   0.00635   2.06552
    A7        2.05775   0.00247  -0.00004   0.00806   0.00800   2.06576
    A8        2.15871  -0.00476   0.00006  -0.01535  -0.01525   2.14347
    A9        2.06514   0.00226  -0.00002   0.00682   0.00675   2.07189
   A10        2.05454   0.00562  -0.00002   0.01906   0.01903   2.07357
   A11        2.10959   0.00060   0.00001  -0.00024  -0.00034   2.10925
   A12        2.11888  -0.00622   0.00001  -0.01878  -0.01865   2.10023
   A13        2.13473  -0.00450   0.00004  -0.01590  -0.01592   2.11881
   A14        2.11717  -0.00517   0.00008  -0.02693  -0.02683   2.09034
   A15        2.03127   0.00967  -0.00012   0.04285   0.04276   2.07403
   A16        2.13217  -0.00385  -0.00000  -0.01180  -0.01180   2.12037
   A17        2.13725  -0.00307   0.00005  -0.01745  -0.01740   2.11985
   A18        2.01332   0.00693  -0.00005   0.02939   0.02934   2.04266
   A19        2.09719   0.00183  -0.00004   0.00621   0.00610   2.10330
   A20        2.13473  -0.00495   0.00001  -0.01751  -0.01748   2.11725
   A21        2.05120   0.00314   0.00002   0.01148   0.01144   2.06263
   A22        2.12769  -0.00777   0.00007  -0.02612  -0.02611   2.10157
   A23        2.01516   0.00281  -0.00010   0.01153   0.01142   2.02658
   A24        2.13731   0.00493   0.00002   0.01421   0.01430   2.15161
   A25        2.03845   0.00564  -0.00012   0.02138   0.02111   2.05956
   A26        2.19476  -0.00319   0.00011  -0.01144  -0.01169   2.18306
   A27        1.82085   0.00313  -0.00005   0.01692   0.01711   1.83796
   A28        2.04978  -0.00239   0.00001  -0.00931  -0.00929   2.04049
   A29        1.49783  -0.00515   0.00005  -0.02685  -0.02662   1.47121
   A30        2.11302  -0.00293   0.00009  -0.01214  -0.01223   2.10079
   A31        2.05086  -0.00624  -0.00012  -0.01807  -0.01800   2.03286
   A32        2.11858   0.00917   0.00002   0.03040   0.03042   2.14900
   A33        2.19903  -0.00817   0.00008  -0.02993  -0.02982   2.16921
   A34        2.05302   0.00160   0.00001   0.00321   0.00316   2.05618
   A35        2.03106   0.00658  -0.00009   0.02689   0.02674   2.05780
   A36        1.98838   0.00923  -0.00012   0.03058   0.03052   2.01890
   A37        2.14918  -0.00510   0.00010  -0.01709  -0.01702   2.13216
   A38        2.14526  -0.00415   0.00002  -0.01364  -0.01365   2.13161
   A39        2.11599  -0.00199   0.00001  -0.00589  -0.00587   2.11012
   A40        2.14493  -0.00366   0.00003  -0.01881  -0.01878   2.12615
   A41        2.02198   0.00566  -0.00005   0.02478   0.02473   2.04670
   A42        2.15866  -0.00464   0.00009  -0.01486  -0.01486   2.14379
   A43        2.11270  -0.00209   0.00001  -0.01350  -0.01351   2.09919
   A44        2.01106   0.00666  -0.00009   0.02772   0.02759   2.03865
   A45        2.08719  -0.00294  -0.00010  -0.00508  -0.00511   2.08209
   A46        2.15534  -0.00104   0.00009  -0.00358  -0.00374   2.15160
   A47        2.02882   0.00376   0.00001   0.00473   0.00458   2.03341
   A48        1.71815  -0.00156  -0.00002   0.00796   0.00782   1.72598
   A49        1.55990   0.00299  -0.00004   0.00319   0.00306   1.56295
   A50        2.08694  -0.00549   0.00006  -0.01105  -0.01119   2.07575
   A51        2.17812  -0.00304   0.00009  -0.01712  -0.01686   2.16126
   A52        2.01621   0.00855  -0.00015   0.02833   0.02820   2.04441
   A53        2.09529   0.00905  -0.00000   0.02768   0.02770   2.12300
   A54        2.10933  -0.00332   0.00012  -0.00923  -0.00920   2.10014
   A55        2.07855  -0.00573  -0.00012  -0.01845  -0.01851   2.06004
   A56        2.11114  -0.00754   0.00001  -0.03290  -0.03285   2.07829
   A57        2.13130  -0.00719   0.00010  -0.02179  -0.02175   2.10955
   A58        2.12848  -0.00005   0.00000  -0.00630  -0.00627   2.12221
   A59        2.02325   0.00724  -0.00010   0.02803   0.02795   2.05119
   A60        2.15670  -0.00304  -0.00002  -0.00895  -0.00896   2.14774
   A61        2.00284   0.00575  -0.00003   0.02429   0.02425   2.02709
   A62        2.12354  -0.00271   0.00005  -0.01524  -0.01521   2.10833
   A63        1.98731   0.00961  -0.00008   0.03061   0.03056   2.01788
   A64        2.14568  -0.00514   0.00004  -0.01641  -0.01639   2.12929
   A65        2.15015  -0.00447   0.00004  -0.01420  -0.01418   2.13597
   A66        2.15784  -0.00444   0.00002  -0.01712  -0.01714   2.14069
   A67        2.00273   0.00188   0.00001   0.00687   0.00690   2.00963
   A68        2.12261   0.00255  -0.00003   0.01025   0.01023   2.13285
   A69        2.15013  -0.00596   0.00003  -0.02048  -0.02039   2.12974
   A70        2.16002  -0.00424   0.00004  -0.01492  -0.01482   2.14520
   A71        1.97299   0.01020  -0.00007   0.03542   0.03523   2.00821
   A72        2.14833  -0.00554   0.00003  -0.01911  -0.01902   2.12931
   A73        2.15685  -0.00400   0.00004  -0.01412  -0.01402   2.14283
   A74        1.97749   0.00955  -0.00008   0.03337   0.03317   2.01067
   A75        2.15251  -0.00478   0.00003  -0.01658  -0.01649   2.13602
   A76        2.15163  -0.00508   0.00003  -0.01754  -0.01745   2.13418
   A77        1.97878   0.00987  -0.00006   0.03421   0.03403   2.01280
   A78        2.15283  -0.00390   0.00002  -0.01240  -0.01244   2.14038
   A79        2.12374  -0.00191   0.00003  -0.01185  -0.01179   2.11194
   A80        2.00651   0.00580  -0.00005   0.02424   0.02421   2.03073
   A81        2.15334  -0.00883   0.00008  -0.03094  -0.03081   2.12253
   A82        2.01126   0.00908  -0.00008   0.03759   0.03748   2.04874
   A83        2.11468  -0.00021   0.00000  -0.00598  -0.00602   2.10866
   A84        1.97671   0.01597  -0.00013   0.05351   0.05351   2.03022
   A85        2.15339  -0.00819   0.00007  -0.02745  -0.02745   2.12594
   A86        2.15308  -0.00777   0.00006  -0.02606  -0.02606   2.12702
   A87        2.15206  -0.00871   0.00008  -0.03040  -0.03028   2.12179
   A88        2.11526  -0.00033   0.00000  -0.00626  -0.00633   2.10893
   A89        2.00941   0.00913  -0.00009   0.03819   0.03806   2.04747
   A90        2.15370  -0.00406   0.00002  -0.01298  -0.01302   2.14067
   A91        2.12565  -0.00177   0.00003  -0.01119  -0.01114   2.11451
   A92        2.00237   0.00586  -0.00005   0.02461   0.02457   2.02694
   A93        2.15578  -0.00426   0.00002  -0.01374  -0.01377   2.14200
   A94        2.12364  -0.00190   0.00003  -0.01203  -0.01196   2.11168
   A95        2.00326   0.00616  -0.00005   0.02578   0.02575   2.02901
   A96        2.15371  -0.00889   0.00008  -0.03103  -0.03090   2.12281
   A97        2.01009   0.00905  -0.00008   0.03744   0.03733   2.04741
   A98        2.11475  -0.00012   0.00000  -0.00556  -0.00560   2.10915
   A99        1.97426   0.01619  -0.00012   0.05434   0.05434   2.02859
   A100       2.15508  -0.00836   0.00006  -0.02802  -0.02802   2.12706
   A101       2.15385  -0.00783   0.00006  -0.02632  -0.02632   2.12753
   A102       2.15329  -0.00887   0.00008  -0.03087  -0.03075   2.12254
   A103       2.11417  -0.00007   0.00000  -0.00522  -0.00528   2.10888
   A104       2.00990   0.00902  -0.00008   0.03746   0.03733   2.04723
   A105       2.15619  -0.00437   0.00002  -0.01403  -0.01407   2.14212
   A106       2.12613  -0.00170   0.00004  -0.01111  -0.01106   2.11507
   A107       1.99966   0.00609  -0.00006   0.02548   0.02544   2.02511
   A108       2.15266  -0.00410   0.00001  -0.01312  -0.01317   2.13949
   A109       2.12246  -0.00132   0.00003  -0.00923  -0.00917   2.11328
   A110       2.00776   0.00542  -0.00004   0.02234   0.02233   2.03008
   A111       2.15264  -0.00879   0.00008  -0.03066  -0.03053   2.12211
   A112       2.01050   0.00911  -0.00009   0.03775   0.03763   2.04813
   A113       2.11586  -0.00029   0.00001  -0.00635  -0.00639   2.10947
   A114       1.97685   0.01591  -0.00012   0.05342   0.05342   2.03026
   A115       2.15443  -0.00834   0.00006  -0.02798  -0.02798   2.12645
   A116       2.15191  -0.00757   0.00006  -0.02544  -0.02544   2.12647
   A117       2.15285  -0.00877   0.00008  -0.03056  -0.03043   2.12241
   A118       2.11504  -0.00021   0.00001  -0.00580  -0.00586   2.10918
   A119       2.00916   0.00907  -0.00008   0.03780   0.03768   2.04683
   A120       2.15248  -0.00411   0.00001  -0.01320  -0.01324   2.13923
   A121       2.12147  -0.00160   0.00003  -0.01037  -0.01033   2.11114
   A122       2.00775   0.00574  -0.00005   0.02401   0.02398   2.03173
   A123       2.20257  -0.00124   0.00004  -0.00408  -0.00405   2.19852
   A124       2.20179  -0.00174   0.00003  -0.00563  -0.00562   2.19618
   A125       1.87881   0.00298  -0.00008   0.00971   0.00967   1.88848
   A126       2.20061  -0.00132   0.00003  -0.00431  -0.00429   2.19632
   A127       2.20291  -0.00143   0.00004  -0.00475  -0.00472   2.19819
   A128       1.87962   0.00275  -0.00007   0.00907   0.00903   1.88864
   A129       2.20260  -0.00133   0.00004  -0.00438  -0.00435   2.19825
   A130       2.20116  -0.00150   0.00003  -0.00485  -0.00484   2.19632
   A131       1.87940   0.00283  -0.00007   0.00924   0.00920   1.88860
   A132       1.90625  -0.00228   0.00010  -0.00774  -0.00767   1.89859
   A133       2.32707  -0.00970   0.00004  -0.03130  -0.03134   2.29573
   A134       2.04556   0.01199  -0.00014   0.03934   0.03931   2.08487
   A135       1.86604   0.00096  -0.00006   0.00333   0.00327   1.86931
   A136       2.13576  -0.00633   0.00015  -0.02237  -0.02217   2.11359
   A137       2.28128   0.00537  -0.00009   0.01904   0.01890   2.30019
   A138       1.86590   0.00094  -0.00006   0.00332   0.00326   1.86916
   A139       2.28234   0.00530  -0.00009   0.01871   0.01857   2.30091
   A140       2.13492  -0.00623   0.00015  -0.02203  -0.02184   2.11308
   A141       1.90685  -0.00234   0.00010  -0.00789  -0.00782   1.89903
   A142       2.32580  -0.00944   0.00004  -0.03053  -0.03056   2.29524
   A143       2.04661   0.01178  -0.00014   0.03861   0.03857   2.08518
   A144       1.90756  -0.00245   0.00010  -0.00829  -0.00821   1.89935
   A145       2.32634  -0.00939   0.00004  -0.03037  -0.03040   2.29594
   A146       2.04538   0.01185  -0.00014   0.03887   0.03883   2.08421
   A147       1.86543   0.00092  -0.00006   0.00342   0.00336   1.86879
   A148       2.13580  -0.00631   0.00015  -0.02236  -0.02216   2.11364
   A149       2.28191   0.00539  -0.00009   0.01893   0.01879   2.30070
   A150       1.86551   0.00091  -0.00006   0.00330   0.00324   1.86875
   A151       2.28160   0.00547  -0.00009   0.01926   0.01912   2.30073
   A152       2.13600  -0.00638   0.00015  -0.02256  -0.02236   2.11363
   A153       1.90735  -0.00235   0.00010  -0.00806  -0.00798   1.89936
   A154       2.32652  -0.00963   0.00004  -0.03101  -0.03105   2.29547
   A155       2.04510   0.01199  -0.00014   0.03938   0.03934   2.08444
   A156       1.90685  -0.00233   0.00009  -0.00787  -0.00780   1.89905
   A157       2.32668  -0.00952   0.00005  -0.03080  -0.03083   2.29586
   A158       2.04576   0.01186  -0.00014   0.03887   0.03883   2.08460
   A159       1.86588   0.00088  -0.00006   0.00322   0.00316   1.86905
   A160       2.13546  -0.00627   0.00015  -0.02220  -0.02200   2.11346
   A161       2.28180   0.00539  -0.00009   0.01897   0.01883   2.30063
   A162       1.86575   0.00092  -0.00006   0.00330   0.00324   1.86899
   A163       2.28163   0.00541  -0.00009   0.01909   0.01896   2.30059
   A164       2.13572  -0.00633   0.00015  -0.02239  -0.02220   2.11352
   A165       1.90676  -0.00229   0.00010  -0.00780  -0.00773   1.89903
   A166       2.32687  -0.00967   0.00004  -0.03118  -0.03121   2.29566
   A167       2.04524   0.01197  -0.00014   0.03931   0.03927   2.08452
   A168       2.07634   0.00012  -0.00004   0.00048   0.00039   2.07672
   A169       2.11322  -0.00221   0.00005  -0.01038  -0.01031   2.10291
   A170       2.09355   0.00209  -0.00001   0.00992   0.00993   2.10348
   A171       2.08653   0.00134  -0.00003   0.00648   0.00634   2.09286
   A172       2.09788  -0.00051   0.00001  -0.00238  -0.00232   2.09556
   A173       2.09802  -0.00081   0.00002  -0.00381  -0.00376   2.09426
   A174       2.11965   0.00068  -0.00002   0.00444   0.00436   2.12401
   A175       2.08224   0.00117  -0.00002   0.00497   0.00496   2.08720
   A176       2.08087  -0.00182   0.00004  -0.00918  -0.00912   2.07175
   A177       2.09860  -0.00765   0.00008  -0.02736  -0.02723   2.07137
   A178       2.15754  -0.00185   0.00001  -0.01272  -0.01274   2.14480
   A179       2.02571   0.00952  -0.00009   0.04041   0.04028   2.06599
   A180       2.09907  -0.00779   0.00009  -0.02792  -0.02778   2.07129
   A181       2.15912  -0.00195   0.00001  -0.01323  -0.01326   2.14586
   A182       2.02351   0.00977  -0.00010   0.04153   0.04140   2.06491
   A183       2.11997   0.00068  -0.00003   0.00448   0.00440   2.12437
   A184       2.08078  -0.00189   0.00004  -0.00948  -0.00942   2.07136
   A185       2.08193   0.00123  -0.00002   0.00526   0.00525   2.08718
   A186       2.08617   0.00139  -0.00003   0.00669   0.00655   2.09272
   A187       2.09806  -0.00083   0.00002  -0.00387  -0.00381   2.09425
   A188       2.09812  -0.00054   0.00001  -0.00251  -0.00245   2.09567
   A189       2.07627   0.00008  -0.00004   0.00032   0.00023   2.07649
   A190       2.11343  -0.00223   0.00005  -0.01049  -0.01042   2.10301
   A191       2.09335   0.00216  -0.00001   0.01021   0.01022   2.10356
   A192       2.07628   0.00012  -0.00004   0.00051   0.00042   2.07671
   A193       2.11349  -0.00227   0.00006  -0.01065  -0.01058   2.10292
   A194       2.09330   0.00215  -0.00001   0.01016   0.01017   2.10347
   A195       2.08605   0.00137  -0.00003   0.00660   0.00646   2.09251
   A196       2.09829  -0.00054   0.00001  -0.00252  -0.00246   2.09583
   A197       2.09805  -0.00080   0.00002  -0.00377  -0.00372   2.09434
   A198       2.11996   0.00070  -0.00003   0.00453   0.00445   2.12441
   A199       2.08226   0.00116  -0.00002   0.00496   0.00496   2.08721
   A200       2.08052  -0.00184   0.00004  -0.00925  -0.00920   2.07133
   A201       2.09927  -0.00777   0.00009  -0.02785  -0.02771   2.07155
   A202       2.15934  -0.00209   0.00001  -0.01388  -0.01391   2.14544
   A203       2.02316   0.00989  -0.00010   0.04211   0.04198   2.06514
   A204       2.09910  -0.00769   0.00009  -0.02750  -0.02737   2.07174
   A205       2.15827  -0.00195   0.00001  -0.01323  -0.01326   2.14502
   A206       2.02447   0.00966  -0.00010   0.04104   0.04092   2.06538
   A207       2.12015   0.00067  -0.00002   0.00440   0.00432   2.12446
   A208       2.07967  -0.00171   0.00004  -0.00867  -0.00862   2.07106
   A209       2.08296   0.00106  -0.00002   0.00448   0.00448   2.08744
   A210       2.08605   0.00135  -0.00003   0.00651   0.00637   2.09242
   A211       2.09849  -0.00085   0.00002  -0.00397  -0.00391   2.09457
   A212       2.09791  -0.00048   0.00001  -0.00227  -0.00221   2.09570
   A213       2.07632   0.00016  -0.00004   0.00063   0.00054   2.07686
   A214       2.11246  -0.00216   0.00005  -0.01013  -0.01005   2.10241
   A215       2.09431   0.00200  -0.00001   0.00950   0.00952   2.10383
   A216       2.07644   0.00008  -0.00004   0.00038   0.00029   2.07673
   A217       2.11294  -0.00219   0.00005  -0.01031  -0.01024   2.10270
   A218       2.09368   0.00211  -0.00001   0.00995   0.00997   2.10364
   A219       2.08605   0.00137  -0.00003   0.00664   0.00649   2.09255
   A220       2.09820  -0.00053   0.00001  -0.00248  -0.00243   2.09577
   A221       2.09805  -0.00081   0.00002  -0.00381  -0.00376   2.09429
   A222       2.11986   0.00071  -0.00003   0.00455   0.00446   2.12433
   A223       2.08209   0.00118  -0.00002   0.00507   0.00507   2.08715
   A224       2.08072  -0.00186   0.00004  -0.00935  -0.00929   2.07143
   A225       2.09923  -0.00776   0.00009  -0.02783  -0.02770   2.07153
   A226       2.15919  -0.00203   0.00001  -0.01360  -0.01362   2.14556
   A227       2.02331   0.00982  -0.00010   0.04180   0.04167   2.06498
   A228       2.09902  -0.00771   0.00009  -0.02758  -0.02744   2.07158
   A229       2.15851  -0.00192   0.00001  -0.01310  -0.01312   2.14538
   A230       2.02431   0.00966  -0.00010   0.04102   0.04089   2.06520
   A231       2.12001   0.00067  -0.00002   0.00442   0.00434   2.12434
   A232       2.08096  -0.00188   0.00004  -0.00946  -0.00940   2.07156
   A233       2.08176   0.00123  -0.00002   0.00529   0.00528   2.08704
   A234       2.08610   0.00138  -0.00003   0.00662   0.00648   2.09258
   A235       2.09825  -0.00084   0.00002  -0.00392  -0.00387   2.09439
   A236       2.09806  -0.00052   0.00001  -0.00240  -0.00235   2.09571
   A237       2.07646   0.00010  -0.00004   0.00041   0.00032   2.07678
   A238       2.11324  -0.00223   0.00005  -0.01047  -0.01039   2.10285
   A239       2.09338   0.00213  -0.00001   0.01008   0.01009   2.10347
   A240       2.03624  -0.00224   0.00006  -0.00242  -0.00100   2.03524
   A241       2.02857  -0.01269   0.00021  -0.07680  -0.07656   1.95201
   A242       1.83308  -0.02133   0.00034  -0.10321  -0.10410   1.72898
   A243       1.87494   0.01484  -0.00025   0.09280   0.09112   1.96606
   A244       1.97375   0.01261  -0.00021   0.05611   0.05288   2.02663
   A245       1.68813   0.01090  -0.00022   0.03795   0.03062   1.71875
   A246       2.15333   0.00481  -0.00005   0.02244   0.02180   2.17512
   A247       2.07264  -0.00217   0.00007  -0.00748  -0.00740   2.06524
   A248       1.89013  -0.00143   0.00002  -0.01625  -0.01573   1.87440
   A249       1.91520  -0.00099  -0.00000  -0.00070  -0.00091   1.91429
   A250       1.90449  -0.00073   0.00001  -0.00036  -0.00067   1.90381
   A251       1.90384   0.00111   0.00000   0.01186   0.01164   1.91548
   A252       1.92405   0.00296  -0.00004   0.01664   0.01668   1.94073
   A253       1.92578  -0.00094   0.00002  -0.01132  -0.01117   1.91461
   A254       1.92541  -0.00304   0.00003  -0.01532  -0.01529   1.91012
   A255       1.94134   0.00037  -0.00000   0.00224   0.00222   1.94357
   A256       1.94063   0.00039  -0.00001   0.00249   0.00246   1.94310
   A257       1.88583   0.00108  -0.00001   0.00397   0.00394   1.88978
   A258       1.88564   0.00112  -0.00001   0.00432   0.00430   1.88993
   A259       1.88295   0.00018   0.00000   0.00282   0.00281   1.88576
   A260       1.88468  -0.00168   0.00004  -0.00543  -0.00536   1.87931
   A261       1.91400  -0.00031  -0.00001  -0.00388  -0.00388   1.91013
   A262       1.92153  -0.00074  -0.00001  -0.00535  -0.00535   1.91618
   A263       1.92545   0.00191  -0.00003   0.01033   0.01027   1.93572
   A264       1.92151   0.00293  -0.00003   0.01612   0.01605   1.93756
   A265       1.89679  -0.00209   0.00003  -0.01170  -0.01178   1.88501
   A266       1.94060  -0.00043   0.00000  -0.00181  -0.00182   1.93878
   A267       1.92666  -0.00197   0.00003  -0.00978  -0.00976   1.91690
   A268       1.93911  -0.00015  -0.00000  -0.00034  -0.00035   1.93876
   A269       1.88606   0.00107  -0.00001   0.00442   0.00439   1.89045
   A270       1.88362   0.00057  -0.00000   0.00359   0.00359   1.88721
   A271       1.88581   0.00102  -0.00001   0.00451   0.00449   1.89030
   A272       1.82881   0.00355  -0.00005   0.01539   0.01543   1.84424
   A273       1.75328  -0.00118   0.00001  -0.00404  -0.00435   1.74893
   A274       1.56174  -0.00273  -0.00003  -0.00903  -0.00975   1.55200
   A275       1.78325  -0.00317  -0.00001  -0.01152  -0.01215   1.77110
   A276       1.10386  -0.00242   0.00004  -0.00761  -0.00779   1.09608
   A277       1.36352  -0.00384   0.00005  -0.01850  -0.01853   1.34499
   A278       0.59197  -0.00139   0.00003  -0.00295  -0.00292   0.58905
    D1       -0.01216   0.00046  -0.00000   0.00607   0.00601  -0.00615
    D2       -3.12485  -0.00001   0.00000  -0.00013  -0.00020  -3.12506
    D3        3.10979   0.00065  -0.00001   0.00858   0.00855   3.11833
    D4       -0.00291   0.00018  -0.00000   0.00238   0.00233  -0.00057
    D5        0.02674  -0.00042   0.00000  -0.00463  -0.00462   0.02212
    D6        3.13475   0.00017  -0.00000   0.00136   0.00133   3.13609
    D7       -3.09528  -0.00060   0.00001  -0.00711  -0.00713  -3.10241
    D8        0.01273  -0.00002   0.00000  -0.00112  -0.00118   0.01155
    D9        3.07058  -0.00103   0.00002  -0.01201  -0.01195   3.05863
   D10       -0.08324  -0.00078   0.00001  -0.00942  -0.00941  -0.09265
   D11       -0.09229  -0.00067   0.00001  -0.00874  -0.00872  -0.10101
   D12        3.03707  -0.00042   0.00001  -0.00615  -0.00618   3.03090
   D13       -0.01822  -0.00003   0.00000  -0.00163  -0.00158  -0.01981
   D14       -3.09826   0.00044  -0.00000   0.00710   0.00701  -3.09125
   D15        3.09406   0.00050  -0.00001   0.00496   0.00496   3.09902
   D16        0.01402   0.00097  -0.00001   0.01369   0.01356   0.02758
   D17        0.03412  -0.00038   0.00000  -0.00410  -0.00406   0.03006
   D18       -3.12746  -0.00028   0.00000  -0.00182  -0.00181  -3.12927
   D19        3.11753  -0.00108   0.00001  -0.01316  -0.01310   3.10443
   D20       -0.04404  -0.00098   0.00001  -0.01087  -0.01085  -0.05489
   D21        3.02957   0.00020  -0.00000   0.00427   0.00430   3.03387
   D22       -0.12457   0.00137  -0.00002   0.02210   0.02192  -0.10265
   D23       -0.05023   0.00067  -0.00000   0.01299   0.01289  -0.03734
   D24        3.07882   0.00184  -0.00002   0.03082   0.03051   3.10932
   D25       -0.02095   0.00056  -0.00001   0.00590   0.00583  -0.01513
   D26        3.12534   0.00010  -0.00000   0.00062   0.00064   3.12598
   D27        3.14073   0.00038  -0.00000   0.00337   0.00337  -3.13908
   D28        0.00384  -0.00008   0.00000  -0.00191  -0.00182   0.00203
   D29        0.02004  -0.00107   0.00001  -0.01490  -0.01459   0.00544
   D30        3.12155  -0.00086   0.00000  -0.00866  -0.00854   3.11300
   D31        3.14091  -0.00083   0.00001  -0.01208  -0.01187   3.12903
   D32       -0.04077  -0.00062  -0.00000  -0.00584  -0.00582  -0.04659
   D33       -0.01093  -0.00001  -0.00000  -0.00089  -0.00089  -0.01182
   D34       -3.12116  -0.00039   0.00000  -0.00570  -0.00580  -3.12696
   D35        3.12618   0.00039  -0.00000   0.00397   0.00407   3.13025
   D36        0.01594   0.00001  -0.00000  -0.00084  -0.00083   0.01511
   D37        0.17497   0.00037  -0.00001   0.00665   0.00664   0.18162
   D38       -2.88505   0.00055  -0.00001   0.01095   0.01096  -2.87410
   D39       -2.95466  -0.00069   0.00001  -0.01013  -0.01023  -2.96489
   D40        0.26850  -0.00051   0.00001  -0.00584  -0.00592   0.26258
   D41        3.04576  -0.00115   0.00001  -0.02027  -0.02007   3.02568
   D42       -0.11018  -0.00012  -0.00000  -0.00506  -0.00502  -0.11520
   D43       -0.10807  -0.00001  -0.00001  -0.00292  -0.00288  -0.11095
   D44        3.01918   0.00102  -0.00002   0.01229   0.01217   3.03135
   D45       -0.19361  -0.00265   0.00003  -0.03279  -0.03300  -0.22660
   D46        2.92599   0.00053   0.00001   0.00239   0.00247   2.92847
   D47        1.42189  -0.00541   0.00003  -0.04908  -0.04889   1.37300
   D48        2.86069  -0.00300   0.00003  -0.03770  -0.03795   2.82274
   D49       -0.30289   0.00018   0.00000  -0.00252  -0.00248  -0.30538
   D50       -1.80699  -0.00576   0.00003  -0.05399  -0.05385  -1.86084
   D51       -0.23662   0.00180  -0.00002   0.01539   0.01539  -0.22123
   D52        2.86063   0.00010  -0.00001  -0.00223  -0.00209   2.85854
   D53        2.98704   0.00264  -0.00002   0.02180   0.02192   3.00896
   D54       -0.19890   0.00093  -0.00001   0.00418   0.00444  -0.19446
   D55        0.09630   0.00339  -0.00004   0.03791   0.03812   0.13442
   D56       -3.00365   0.00354  -0.00002   0.03259   0.03286  -2.97079
   D57       -3.02519   0.00051  -0.00002   0.00580   0.00564  -3.01954
   D58        0.15805   0.00066  -0.00000   0.00049   0.00038   0.15843
   D59       -1.71794   0.00219  -0.00000   0.03134   0.03162  -1.68633
   D60        1.46530   0.00234   0.00001   0.02602   0.02635   1.49165
   D61        2.95251  -0.00359   0.00003  -0.03673  -0.03650   2.91601
   D62       -0.36007  -0.00483   0.00004  -0.06449  -0.06418  -0.42425
   D63       -0.21120  -0.00030   0.00000  -0.00100  -0.00104  -0.21224
   D64        2.75941  -0.00154   0.00001  -0.02876  -0.02872   2.73069
   D65        2.28767   0.00012   0.00011   0.02575   0.02619   2.31386
   D66        1.73460   0.00163   0.00008   0.02856   0.02902   1.76362
   D67       -1.96038   0.00481  -0.00000   0.04193   0.04196  -1.91842
   D68       -2.51345   0.00632  -0.00003   0.04475   0.04479  -2.46866
   D69        3.13667   0.00069   0.00001   0.00154   0.00160   3.13827
   D70       -0.04515   0.00061   0.00001   0.00676   0.00676  -0.03839
   D71       -0.10502   0.00049  -0.00001   0.00717   0.00712  -0.09790
   D72        3.06494   0.00100  -0.00001   0.01273   0.01273   3.07767
   D73        3.05076  -0.00050  -0.00000  -0.00771  -0.00777   3.04298
   D74       -0.06247   0.00002  -0.00000  -0.00215  -0.00216  -0.06463
   D75        0.14889  -0.00011   0.00000  -0.00065  -0.00064   0.14825
   D76       -3.01949   0.00051  -0.00000   0.00333   0.00338  -3.01611
   D77       -3.02100  -0.00064   0.00000  -0.00625  -0.00631  -3.02731
   D78        0.09381  -0.00002  -0.00000  -0.00228  -0.00230   0.09151
   D79        3.09551  -0.00091   0.00001  -0.01114  -0.01105   3.08446
   D80       -0.08275  -0.00031   0.00000  -0.00511  -0.00511  -0.08786
   D81       -0.01519  -0.00056   0.00001  -0.00578  -0.00577  -0.02096
   D82        3.08973   0.00004   0.00000   0.00024   0.00016   3.08990
   D83        0.02123  -0.00052   0.00001  -0.00911  -0.00910   0.01213
   D84       -3.07837   0.00128  -0.00001   0.00846   0.00872  -3.06964
   D85       -3.09537  -0.00097   0.00001  -0.01222  -0.01233  -3.10770
   D86        0.08822   0.00083  -0.00001   0.00535   0.00550   0.09371
   D87        0.15954   0.00006   0.00001  -0.00163  -0.00147   0.15807
   D88       -2.91248  -0.00068   0.00002  -0.00558  -0.00544  -2.91792
   D89       -2.82318   0.00162  -0.00001   0.02489   0.02509  -2.79809
   D90        0.38798   0.00088   0.00000   0.02094   0.02112   0.40910
   D91       -1.19146   0.00488  -0.00006   0.03335   0.03336  -1.15809
   D92        2.01971   0.00414  -0.00005   0.02940   0.02940   2.04910
   D93       -0.35856   0.00574  -0.00008   0.07195   0.07154  -0.28702
   D94       -2.59942  -0.00141   0.00002   0.01271   0.01439  -2.58502
   D95        1.84229   0.00338  -0.00002   0.05992   0.05838   1.90067
   D96        2.61731   0.00395  -0.00008   0.04418   0.04372   2.66103
   D97        0.37645  -0.00321   0.00002  -0.01506  -0.01342   0.36303
   D98       -1.46503   0.00159  -0.00002   0.03215   0.03056  -1.43446
   D99        0.88751   0.00395  -0.00004   0.03338   0.03310   0.92061
   D100      -1.35335  -0.00320   0.00006  -0.02587  -0.02404  -1.37739
   D101       3.08836   0.00159   0.00002   0.02135   0.01995   3.10830
   D102      -0.94142   0.00080  -0.00010   0.02965   0.02921  -0.91221
   D103      -1.50819   0.00108  -0.00012   0.02494   0.02456  -1.48363
   D104       1.09104   0.00498  -0.00010   0.03544   0.03488   1.12592
   D105       0.52427   0.00527  -0.00012   0.03073   0.03023   0.55450
   D106      -0.04326   0.00076  -0.00002   0.00833   0.00837  -0.03489
   D107       3.09436   0.00053  -0.00001   0.00815   0.00812   3.10248
   D108       3.03503   0.00104  -0.00002   0.01031   0.01044   3.04547
   D109      -0.11053   0.00081  -0.00001   0.01013   0.01018  -0.10034
   D110      -3.10061  -0.00100   0.00002  -0.01066  -0.01061  -3.11122
   D111       0.06094  -0.00060   0.00001  -0.00697  -0.00695   0.05399
   D112       0.10802  -0.00123   0.00002  -0.01313  -0.01314   0.09489
   D113      -3.01361  -0.00083   0.00001  -0.00945  -0.00948  -3.02309
   D114      -0.01317  -0.00134   0.00000  -0.01145  -0.01148  -0.02465
   D115       3.13232  -0.00112  -0.00000  -0.01128  -0.01125   3.12107
   D116       0.02294  -0.00001   0.00000   0.00090   0.00090   0.02384
   D117      -3.12028  -0.00033   0.00001  -0.00382  -0.00380  -3.12407
   D118      -3.12258  -0.00020   0.00001   0.00082   0.00076  -3.12183
   D119       0.01738  -0.00053   0.00001  -0.00391  -0.00394   0.01345
   D120      -0.01679   0.00041  -0.00001   0.00398   0.00398  -0.01281
   D121       3.10916   0.00096  -0.00001   0.01087   0.01095   3.12011
   D122       3.10597  -0.00003  -0.00000   0.00017   0.00012   3.10609
   D123      -0.05126   0.00052  -0.00001   0.00707   0.00709  -0.04417
   D124      -0.07233   0.00071  -0.00001   0.00808   0.00805  -0.06428
   D125       3.07931   0.00072  -0.00001   0.00859   0.00856   3.08787
   D126       3.08595   0.00005  -0.00000   0.00037   0.00043   3.08638
   D127      -0.04560   0.00006   0.00000   0.00089   0.00094  -0.04467
   D128       0.06825  -0.00091   0.00002  -0.01048  -0.01048   0.05778
   D129      -3.07160  -0.00057   0.00001  -0.00544  -0.00545  -3.07705
   D130      -3.08341  -0.00092   0.00001  -0.01101  -0.01100  -3.09441
   D131       0.05991  -0.00058   0.00001  -0.00597  -0.00597   0.05395
   D132       0.06218   0.00095  -0.00002   0.01065   0.01061   0.07279
   D133      -3.05295   0.00044  -0.00001   0.00544   0.00548  -3.04747
   D134      -3.06844   0.00088  -0.00001   0.01096   0.01090  -3.05754
   D135       0.09962   0.00037  -0.00001   0.00575   0.00577   0.10539
   D136       3.11349   0.00051  -0.00001   0.00657   0.00658   3.12007
   D137      -0.06405   0.00060  -0.00000   0.00755   0.00757  -0.05647
   D138      -0.01706   0.00036  -0.00000   0.00450   0.00451  -0.01255
   D139       3.08859   0.00045  -0.00000   0.00548   0.00550   3.09409
   D140      -3.11950  -0.00041   0.00001  -0.00486  -0.00482  -3.12432
   D141      -0.03357   0.00032  -0.00000   0.00377   0.00374  -0.02983
   D142       0.01098  -0.00028   0.00000  -0.00282  -0.00277   0.00821
   D143       3.09690   0.00046  -0.00000   0.00581   0.00580   3.10270
   D144       3.09008   0.00085  -0.00001   0.01092   0.01092   3.10101
   D145      -0.06813   0.00074  -0.00001   0.00958   0.00962  -0.05851
   D146      -0.01825   0.00053  -0.00000   0.00624   0.00622  -0.01203
   D147       3.10672   0.00042  -0.00000   0.00491   0.00492   3.11164
   D148      -3.09718  -0.00076   0.00001  -0.00929  -0.00926  -3.10644
   D149      -0.01687   0.00008   0.00000   0.00053   0.00049  -0.01639
   D150       0.01096  -0.00047   0.00001  -0.00469  -0.00462   0.00635
   D151       3.09127   0.00037  -0.00000   0.00513   0.00513   3.09640
   D152      -3.10401  -0.00068   0.00001  -0.00890  -0.00891  -3.11292
   D153       0.06574  -0.00066   0.00001  -0.00861  -0.00864   0.05710
   D154       0.01348  -0.00040   0.00000  -0.00478  -0.00476   0.00871
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   D156       3.10858   0.00064  -0.00001   0.00772   0.00769   3.11627
   D157       0.02852  -0.00020  -0.00000  -0.00214  -0.00210   0.02642
   D158      -0.00892   0.00036  -0.00001   0.00359   0.00353  -0.00539
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   D160       0.00701  -0.00015  -0.00000  -0.00236  -0.00237   0.00464
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   D162      -3.11898   0.00002  -0.00000  -0.00082  -0.00083  -3.11981
   D163      -0.07142   0.00048  -0.00000   0.00717   0.00724  -0.06419
   D164       0.01201  -0.00031   0.00000  -0.00335  -0.00332   0.00869
   D165      -3.12619  -0.00033   0.00001  -0.00374  -0.00371  -3.12990
   D166      -3.03016  -0.00124   0.00001  -0.01393  -0.01385  -3.04402
   D167       0.11482  -0.00126   0.00001  -0.01431  -0.01424   0.10058
   D168      -0.01928   0.00040  -0.00000   0.00502   0.00501  -0.01427
   D169      -3.03306  -0.00116   0.00001  -0.01275  -0.01265  -3.04570
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   D171       0.10514  -0.00113   0.00001  -0.01237  -0.01226   0.09288
   D172       0.45140   0.00362  -0.00009   0.04262   0.04254   0.49394
   D173      -2.70158   0.00376  -0.00009   0.04400   0.04390  -2.65769
   D174      -2.68646   0.00355  -0.00008   0.04205   0.04198  -2.64448
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   D177      -3.07609  -0.00065   0.00000  -0.00938  -0.00947  -3.08556
   D178       3.02902   0.00084  -0.00001   0.01289   0.01303   3.04205
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   D180       0.00832  -0.00018  -0.00000  -0.00254  -0.00255   0.00578
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   D186      -3.02580  -0.00123   0.00001  -0.01384  -0.01376  -3.03956
   D187       0.11645  -0.00121   0.00001  -0.01357  -0.01349   0.10296
   D188      -0.01347   0.00026  -0.00000   0.00336   0.00336  -0.01011
   D189      -3.03354  -0.00119   0.00001  -0.01333  -0.01324  -3.04678
   D190       3.12747   0.00023  -0.00000   0.00309   0.00309   3.13056
   D191       0.10740  -0.00122   0.00001  -0.01361  -0.01351   0.09389
   D192      -2.69905   0.00381  -0.00009   0.04465   0.04456  -2.65449
   D193       0.44724   0.00373  -0.00009   0.04389   0.04381   0.49105
   D194       0.44326   0.00383  -0.00009   0.04492   0.04482   0.48808
   D195      -2.69364   0.00375  -0.00009   0.04416   0.04407  -2.64957
   D196       0.00436  -0.00008  -0.00000  -0.00129  -0.00130   0.00306
   D197      -3.08523  -0.00057   0.00000  -0.00838  -0.00847  -3.09369
   D198       3.03106   0.00080  -0.00001   0.01209   0.01222   3.04328
   D199      -0.05852   0.00031   0.00000   0.00500   0.00505  -0.05347
   D200      -0.00503   0.00012   0.00000   0.00188   0.00189  -0.00313
   D201      -3.04930  -0.00038  -0.00000  -0.00652  -0.00660  -3.05590
   D202       3.11010   0.00001   0.00000   0.00118   0.00120   3.11130
   D203       0.06582  -0.00048   0.00000  -0.00722  -0.00729   0.05854
   D204      -0.00840   0.00023  -0.00000   0.00245   0.00242  -0.00598
   D205       3.13011   0.00024  -0.00000   0.00272   0.00270   3.13281
   D206       3.03019   0.00121  -0.00001   0.01358   0.01350   3.04369
   D207      -0.11449   0.00123  -0.00001   0.01385   0.01378  -0.10071
   D208       0.01295  -0.00030   0.00000  -0.00372  -0.00370   0.00925
   D209       3.02980   0.00121  -0.00001   0.01359   0.01350   3.04330
   D210      -3.12555  -0.00031   0.00000  -0.00398  -0.00398  -3.12953
   D211      -0.10871   0.00120  -0.00001   0.01332   0.01323  -0.09548
   D212       2.70158  -0.00379   0.00009  -0.04436  -0.04426   2.65732
   D213      -0.44750  -0.00367   0.00009  -0.04319  -0.04311  -0.49061
   D214      -0.44341  -0.00373   0.00009  -0.04392  -0.04383  -0.48724
   D215       2.69070  -0.00362   0.00009  -0.04276  -0.04268   2.64802
   D216      -0.00447   0.00004   0.00000   0.00083   0.00084  -0.00362
   D217       3.07926   0.00062  -0.00000   0.00908   0.00917   3.08843
   D218      -3.02823  -0.00087   0.00001  -0.01299  -0.01313  -3.04135
   D219       0.05550  -0.00029  -0.00000  -0.00475  -0.00480   0.05070
   D220      -3.13337  -0.00020   0.00000  -0.00169  -0.00168  -3.13505
   D221       0.10872  -0.00103   0.00000  -0.00697  -0.00695   0.10177
   D222       0.00425  -0.00014   0.00000  -0.00108  -0.00107   0.00318
   D223      -3.03685  -0.00097   0.00000  -0.00636  -0.00634  -3.04319
   D224      -3.14017  -0.00018   0.00000  -0.00154  -0.00153   3.14148
   D225       0.10598  -0.00114   0.00000  -0.00808  -0.00804   0.09794
   D226       0.00540  -0.00024   0.00000  -0.00215  -0.00215   0.00325
   D227      -3.03164  -0.00120   0.00000  -0.00870  -0.00865  -3.04029
   D228       3.13770  -0.00010  -0.00000  -0.00050  -0.00050   3.13720
   D229       0.10155  -0.00106   0.00000  -0.00698  -0.00694   0.09461
   D230       0.00576  -0.00020   0.00000  -0.00161  -0.00160   0.00416
   D231      -3.03039  -0.00116   0.00000  -0.00809  -0.00803  -3.03843
   D232      -3.12802  -0.00030   0.00000  -0.00285  -0.00284  -3.13086
   D233       0.11432  -0.00110   0.00000  -0.00783  -0.00782   0.10651
   D234       0.00391  -0.00020   0.00000  -0.00174  -0.00174   0.00217
   D235      -3.03694  -0.00100   0.00000  -0.00672  -0.00672  -3.04365
   D236       3.13109   0.00026  -0.00000   0.00244   0.00243   3.13352
   D237      -0.11077   0.00109  -0.00000   0.00767   0.00765  -0.10312
   D238      -0.00416   0.00018  -0.00000   0.00149   0.00149  -0.00267
   D239       3.03717   0.00100  -0.00000   0.00672   0.00671   3.04388
   D240      -3.14116   0.00013  -0.00000   0.00097   0.00097  -3.14019
   D241      -0.10526   0.00112  -0.00000   0.00777   0.00773  -0.09753
   D242      -0.00590   0.00022  -0.00000   0.00192   0.00191  -0.00400
   D243       3.02999   0.00121  -0.00000   0.00872   0.00867   3.03866
   D244      -0.01291   0.00052  -0.00000   0.00426   0.00423  -0.00868
   D245      -3.14063   0.00049  -0.00000   0.00394   0.00390  -3.13673
   D246       3.04249  -0.00002   0.00000   0.00525   0.00534   3.04783
   D247      -0.08522  -0.00005   0.00000   0.00493   0.00501  -0.08021
   D248       3.11467  -0.00005   0.00001  -0.00282  -0.00286   3.11182
   D249       0.03393  -0.00095   0.00001  -0.01188  -0.01183   0.02210
   D250       0.08506  -0.00029  -0.00000  -0.00712  -0.00715   0.07791
   D251      -2.99568  -0.00119   0.00000  -0.01618  -0.01612  -3.01181
   D252       0.01499  -0.00059   0.00000  -0.00510  -0.00511   0.00988
   D253      -3.13547  -0.00074   0.00001  -0.00623  -0.00624   3.14147
   D254       3.14111  -0.00069   0.00001  -0.00522  -0.00520   3.13591
   D255      -0.00934  -0.00084   0.00001  -0.00634  -0.00634  -0.01568
   D256       0.02899  -0.00014  -0.00000  -0.00188  -0.00185   0.02714
   D257      -3.13094  -0.00003  -0.00000   0.00005   0.00005  -3.13088
   D258      -3.09508  -0.00010  -0.00000  -0.00202  -0.00201  -3.09709
   D259       0.02817   0.00001  -0.00000  -0.00009  -0.00010   0.02808
   D260      -0.01178   0.00052  -0.00000   0.00433   0.00431  -0.00746
   D261       3.04732  -0.00006   0.00001   0.00439   0.00446   3.05178
   D262       3.13776   0.00058  -0.00001   0.00511   0.00507  -3.14036
   D263      -0.08633  -0.00000   0.00000   0.00516   0.00521  -0.08112
   D264      -3.10363   0.00000  -0.00000  -0.00029  -0.00025  -3.10389
   D265       0.02416   0.00002  -0.00000   0.00038   0.00039   0.02455
   D266       0.02793  -0.00012  -0.00000  -0.00142  -0.00137   0.02655
   D267      -3.12747  -0.00010   0.00000  -0.00075  -0.00073  -3.12820
   D268       3.12169  -0.00025   0.00001  -0.00486  -0.00487   3.11683
   D269       0.03783  -0.00106   0.00001  -0.01312  -0.01307   0.02476
   D270       0.08712  -0.00036  -0.00000  -0.00772  -0.00772   0.07940
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   D272      -0.01197   0.00047  -0.00000   0.00382   0.00379  -0.00818
   D273       3.13898   0.00053  -0.00001   0.00447   0.00443  -3.13978
   D274       3.04743  -0.00008   0.00001   0.00413   0.00420   3.05163
   D275      -0.08481  -0.00003   0.00000   0.00478   0.00484  -0.07997
   D276       3.11960  -0.00017   0.00001  -0.00395  -0.00396   3.11564
   D277       0.03593  -0.00096   0.00001  -0.01188  -0.01184   0.02410
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   D280       0.01495  -0.00057   0.00000  -0.00492  -0.00492   0.01002
   D281      -3.14007  -0.00067   0.00001  -0.00512  -0.00511   3.13800
   D282      -3.13708  -0.00072   0.00001  -0.00596  -0.00598   3.14013
   D283      -0.00891  -0.00082   0.00001  -0.00617  -0.00616  -0.01507
   D284       0.02815  -0.00012  -0.00000  -0.00147  -0.00143   0.02673
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   D286      -3.10162  -0.00000  -0.00000  -0.00046  -0.00043  -3.10205
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   D289       3.04343   0.00001   0.00000   0.00559   0.00568   3.04911
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   D296       3.11712  -0.00010   0.00001  -0.00337  -0.00340   3.11371
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   D369      -3.12890  -0.00064   0.00001  -0.00705  -0.00705  -3.13595
   D370       3.08227   0.00073  -0.00001   0.00796   0.00795   3.09022
   D371      -0.01812   0.00007   0.00000   0.00064   0.00066  -0.01746
   D372       0.02950  -0.00031   0.00000  -0.00250  -0.00249   0.02700
   D373      -3.09789  -0.00029   0.00000  -0.00298  -0.00296  -3.10085
   D374       3.12990   0.00035  -0.00000   0.00477   0.00476   3.13466
   D375       0.00252   0.00036  -0.00000   0.00429   0.00429   0.00681
   D376      -0.03115   0.00035  -0.00000   0.00299   0.00298  -0.02817
   D377      -3.12762  -0.00042   0.00000  -0.00571  -0.00570  -3.13332
   D378       3.09339   0.00039  -0.00000   0.00433   0.00432   3.09771
   D379      -0.00308  -0.00038   0.00001  -0.00436  -0.00436  -0.00744
   D380       0.02886  -0.00004  -0.00000  -0.00047  -0.00044   0.02843
   D381      -3.07808  -0.00086   0.00001  -0.00950  -0.00950  -3.08758
   D382       3.12534   0.00074  -0.00001   0.00826   0.00827   3.13361
   D383       0.01840  -0.00008  -0.00000  -0.00078  -0.00079   0.01760
   D384       0.03324  -0.00075   0.00001  -0.00666  -0.00656   0.02668
   D385      -3.05235  -0.00123   0.00001  -0.01336  -0.01337  -3.06572
   D386       3.14021   0.00014  -0.00000   0.00265   0.00270  -3.14028
   D387       0.05462  -0.00035  -0.00000  -0.00405  -0.00411   0.05051
   D388       0.03167  -0.00069   0.00001  -0.00607  -0.00599   0.02568
   D389       3.14039   0.00017  -0.00000   0.00301   0.00305  -3.13975
   D390      -3.05620  -0.00116   0.00001  -0.01265  -0.01267  -3.06887
   D391       0.05251  -0.00030  -0.00000  -0.00356  -0.00363   0.04888
   D392       0.02748  -0.00000  -0.00000  -0.00005  -0.00002   0.02746
   D393       3.12688   0.00072  -0.00001   0.00795   0.00795   3.13483
   D394      -3.08122  -0.00081   0.00001  -0.00887  -0.00886  -3.09008
   D395       0.01818  -0.00009  -0.00000  -0.00087  -0.00089   0.01729
   D396      -0.02870   0.00028  -0.00000   0.00218   0.00217  -0.02652
   D397       3.09816   0.00031  -0.00000   0.00325   0.00323   3.10139
   D398      -3.12810  -0.00043   0.00000  -0.00577  -0.00577  -3.13387
   D399      -0.00125  -0.00040   0.00001  -0.00471  -0.00471  -0.00595
   D400       1.05592   0.00776  -0.00010   0.07092   0.07014   1.12606
   D401      -1.26133   0.00788  -0.00013   0.05297   0.05496  -1.20637
   D402       2.98336  -0.01463   0.00024  -0.05062  -0.05306   2.93030
   D403      -2.62636  -0.00416   0.00003  -0.04786  -0.04714  -2.67349
   D404      -0.38731  -0.01457   0.00022  -0.09081  -0.09251  -0.47982
   D405       1.57117   0.01152  -0.00022   0.05008   0.05109   1.62226
   D406      -3.14081  -0.00605   0.00007  -0.05287  -0.05324   3.08913
   D407      -1.06432  -0.00613   0.00008  -0.04858  -0.04900  -1.11332
   D408       1.04767  -0.00836   0.00010  -0.06316  -0.06368   0.98399
   D409      -3.13667   0.00013  -0.00000  -0.00070  -0.00071  -3.13738
   D410      -1.03798   0.00125  -0.00001   0.00628   0.00624  -1.03174
   D411       1.04820  -0.00197   0.00002  -0.01384  -0.01380   1.03441
   D412      -3.13831  -0.00039   0.00000   0.00002   0.00003  -3.13828
   D413      -1.04586  -0.00079   0.00001  -0.00367  -0.00366  -1.04952
   D414       1.05314  -0.00005   0.00000   0.00309   0.00310   1.05624
   D415       1.06122   0.00100  -0.00001   0.00353   0.00371   1.06494
   D416      -3.12951   0.00060  -0.00000  -0.00016   0.00003  -3.12948
   D417      -1.03052   0.00134  -0.00001   0.00660   0.00679  -1.02373
   D418      -1.05589  -0.00041  -0.00000  -0.00055  -0.00075  -1.05665
   D419       1.03656  -0.00081   0.00000  -0.00424  -0.00444   1.03212
   D420       3.13555  -0.00007  -0.00000   0.00253   0.00232   3.13787
   D421       1.52226  -0.00278   0.00003  -0.01433  -0.01494   1.50731
   D422      -2.69290  -0.00444   0.00005  -0.02741  -0.02767  -2.72058
   D423      -0.57684  -0.00065   0.00001  -0.00629  -0.00657  -0.58341
   D424      -1.55415   0.00142  -0.00001   0.00728   0.00760  -1.54656
   D425       2.65537   0.00183  -0.00001   0.01740   0.01729   2.67265
   D426       0.55137  -0.00086   0.00000  -0.00085  -0.00081   0.55056
   D427       1.04765   0.00017  -0.00000   0.00129   0.00129   1.04893
   D428       3.14073  -0.00006   0.00000  -0.00081  -0.00080   3.13993
   D429      -1.05066  -0.00017   0.00000  -0.00181  -0.00180  -1.05246
   D430      -1.04384   0.00045  -0.00000   0.00328   0.00331  -1.04054
   D431       1.04924   0.00022   0.00000   0.00118   0.00122   1.05045
   D432       3.14103   0.00011   0.00000   0.00018   0.00022   3.14125
   D433      -3.13721  -0.00003  -0.00001   0.00095   0.00091  -3.13630
   D434      -1.04413  -0.00026  -0.00000  -0.00115  -0.00118  -1.04531
   D435       1.04766  -0.00037  -0.00000  -0.00215  -0.00218   1.04549
   D436      -1.64405   0.00123  -0.00001   0.01034   0.01050  -1.63355
   D437      -1.58535   0.00279  -0.00003   0.02697   0.02689  -1.55846
   D438       0.32885   0.00052  -0.00001   0.00492   0.00504   0.33389
   D439       0.90523  -0.00086  -0.00001  -0.00410  -0.00444   0.90079
   D440       0.71230   0.00094   0.00000   0.00997   0.00966   0.72196
   D441      -0.32143   0.00027   0.00000  -0.00336  -0.00340  -0.32482
         Item               Value     Threshold  Converged?
 Maximum Force            0.021326     0.000450     NO 
 RMS     Force            0.004059     0.000300     NO 
 Maximum Displacement     0.988700     0.001800     NO 
 RMS     Displacement     0.181252     0.001200     NO 
 Predicted change in Energy=-3.484507D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.568245    2.882080    0.059098
      2          6           0       -1.896938    1.525344   -0.069764
      3          6           0       -0.944598    0.497724   -0.143365
      4          6           0        0.427927    0.848315   -0.109140
      5          6           0        0.777322    2.200338    0.033370
      6          6           0       -0.186941    3.188539    0.122163
      7          6           0       -1.305993   -0.903460   -0.338904
      8          6           0       -0.289156   -1.897580   -0.538893
      9          6           0        1.099733   -1.573309   -0.329043
     10          6           0        1.460797   -0.171988   -0.197180
     11          6           0       -2.641997   -1.315368   -0.343355
     12          6           0       -3.067868   -2.616948   -0.656991
     13          6           0       -2.057241   -3.502249   -1.102364
     14          6           0       -0.727535   -3.143695   -1.047337
     15          7           0        2.132776   -2.497797   -0.256865
     16          6           0        3.456257   -2.051424   -0.322927
     17          6           0        3.715400   -0.650216   -0.266162
     18          7           0        2.712629    0.254268   -0.190498
     19          6           0        4.561143   -2.901287   -0.519879
     20          6           0        5.850251   -2.397234   -0.539725
     21          6           0        6.145343   -1.014418   -0.381822
     22          6           0        5.040923   -0.170093   -0.282809
     23          6           0       -2.597572    3.933376    0.104143
     24          6           0       -4.475515   -3.019854   -0.571066
     25          6           0        7.526929   -0.512191   -0.340298
     26          6           0       -4.909146   -4.307264   -0.951261
     27          6           0       -6.229701   -4.718201   -0.831347
     28          6           0       -7.226353   -3.861986   -0.322248
     29          6           0       -6.809333   -2.567088    0.046168
     30          6           0       -5.484503   -2.168991   -0.072009
     31          6           0       -2.274605    5.286517    0.331940
     32          6           0       -3.231328    6.294030    0.352621
     33          6           0       -4.597665    6.019131    0.151579
     34          6           0       -4.935943    4.668892   -0.063209
     35          6           0       -3.969569    3.670789   -0.086638
     36          6           0        8.641475   -1.351437   -0.539338
     37          6           0        9.949471   -0.887888   -0.468083
     38          6           0       10.239534    0.462405   -0.193578
     39          6           0        9.132521    1.313260   -0.003783
     40          6           0        7.829209    0.838469   -0.073467
     41          7           0       -5.568212    7.034717    0.163485
     42          7           0       -8.559238   -4.277498   -0.186401
     43          7           0       11.559386    0.934324   -0.110109
     44          6           0       -8.993668   -5.602483    0.028028
     45          6           0      -10.410278   -5.610284    0.116329
     46          6           0      -10.854951   -4.238171   -0.038480
     47          6           0       -9.695093   -3.442710   -0.229099
     48          6           0       -6.922965    6.881073    0.521618
     49          6           0       -7.575121    8.135773    0.395990
     50          6           0       -6.577603    9.091931   -0.044871
     51          6           0       -5.355257    8.383970   -0.185561
     52          6           0       11.987529    2.248980   -0.386901
     53          6           0       13.389158    2.327688   -0.176407
     54          6           0       13.833278    1.009194    0.233586
     55          6           0       12.684915    0.175669    0.272383
     56          6           0      -12.130173   -3.665454   -0.036101
     57          6           0      -12.255449   -2.295858   -0.256635
     58          6           0      -11.112138   -1.519516   -0.509909
     59          6           0       -9.834496   -2.077276   -0.515485
     60          6           0       -8.282064   -6.788603    0.257212
     61          6           0       -8.996344   -7.966061    0.473634
     62          6           0      -10.401098   -7.984127    0.497309
     63          6           0      -11.113639   -6.798587    0.333840
     64          6           0       -6.658018   10.458050   -0.330984
     65          6           0       -5.521802   11.119340   -0.790860
     66          6           0       -4.328814   10.404581   -0.992041
     67          6           0       -4.234199    9.042407   -0.710962
     68          6           0       -7.629380    5.786578    1.040904
     69          6           0       -8.983915    5.941164    1.332108
     70          6           0       -9.644273    7.167425    1.146398
     71          6           0       -8.934399    8.276012    0.691572
     72          6           0       15.096316    0.514498    0.571999
     73          6           0       15.214181   -0.811082    0.982728
     74          6           0       14.067927   -1.617498    1.083787
     75          6           0       12.802342   -1.137367    0.750185
     76          6           0       11.303840    3.361422   -0.898049
     77          6           0       12.009242    4.547283   -1.096775
     78          6           0       13.384969    4.642434   -0.827326
     79          6           0       14.083755    3.523737   -0.380019
     80          8           0        0.613249   -4.538749    0.880715
     81         15           0        1.888700   -4.210930    0.211058
     82          8           0        3.179052   -4.813668    0.993321
     83          8           0        2.137259   -4.908439   -1.233398
     84          6           0        3.649473   -4.351476    2.281182
     85          6           0        4.825637   -5.230000    2.677599
     86          6           0        1.500516   -6.172835   -1.500672
     87          6           0        1.898048   -6.602222   -2.902053
     88          1           0       -2.945114    1.260800   -0.136343
     89          1           0        1.821602    2.484235    0.075983
     90          1           0        0.162309    4.211168    0.216811
     91          1           0       -3.397034   -0.582925   -0.089065
     92          1           0       -2.289592   -4.491633   -1.479142
     93          1           0       -0.018286   -3.839793   -1.466622
     94          1           0        4.437118   -3.964093   -0.682391
     95          1           0        6.644885   -3.122536   -0.676217
     96          1           0        5.141312    0.907034   -0.219079
     97          1           0       -4.216974   -5.028109   -1.373016
     98          1           0       -6.484305   -5.696603   -1.220252
     99          1           0       -7.493954   -1.879211    0.527160
    100          1           0       -5.251149   -1.172182    0.287241
    101          1           0       -1.252978    5.590589    0.534249
    102          1           0       -2.898285    7.290321    0.617431
    103          1           0       -5.950853    4.383697   -0.312396
    104          1           0       -4.324907    2.668857   -0.305005
    105          1           0        8.515740   -2.401059   -0.784709
    106          1           0       10.739334   -1.586831   -0.715241
    107          1           0        9.269789    2.343848    0.300007
    108          1           0        7.042382    1.555673    0.136417
    109          1           0      -13.010261   -4.281122    0.122953
    110          1           0      -13.237922   -1.833728   -0.264261
    111          1           0      -11.220200   -0.461639   -0.728748
    112          1           0       -8.997422   -1.444180   -0.785150
    113          1           0       -7.200921   -6.824417    0.320385
    114          1           0       -8.445416   -8.884555    0.650838
    115          1           0      -10.928962   -8.915937    0.676072
    116          1           0      -12.197976   -6.794667    0.389833
    117          1           0       -7.595571   10.992112   -0.209420
    118          1           0       -5.565781   12.178847   -1.024259
    119          1           0       -3.460101   10.914587   -1.396935
    120          1           0       -3.309725    8.530807   -0.951515
    121          1           0       -7.159345    4.837269    1.268935
    122          1           0       -9.530676    5.092811    1.732264
    123          1           0      -10.699127    7.258124    1.387294
    124          1           0       -9.425492    9.238006    0.580295
    125          1           0       15.969529    1.158428    0.529276
    126          1           0       16.185438   -1.211475    1.257079
    127          1           0       14.158893   -2.634554    1.452548
    128          1           0       11.947633   -1.782408    0.916449
    129          1           0       10.260272    3.329133   -1.188077
    130          1           0       11.479482    5.409086   -1.490899
    131          1           0       13.908167    5.578366   -0.998194
    132          1           0       15.153982    3.575971   -0.204336
    133          1           0        3.974532   -3.314520    2.202550
    134          1           0        2.835032   -4.428707    3.008392
    135          1           0        5.206655   -4.910474    3.652096
    136          1           0        4.530368   -6.281884    2.752399
    137          1           0        5.640726   -5.157262    1.949159
    138          1           0        1.826943   -6.909380   -0.758858
    139          1           0        0.414153   -6.065986   -1.416110
    140          1           0        2.983147   -6.714538   -2.986366
    141          1           0        1.433036   -7.563792   -3.141761
    142          1           0        1.572778   -5.868041   -3.645995
    143         17           0        1.486463   -1.643686    2.625425
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0191902           0.0073141           0.0054032
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13470.7330263250 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  1.52D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    0.999998    0.001470    0.000171    0.001345 Ang=   0.23 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.62663978     A.U. after   17 cycles
            NFock= 17  Conv=0.36D-08     -V/T= 2.0086
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.011244717   -0.003947186    0.000362514
      2        6          -0.005575721   -0.000055615    0.000035682
      3        6           0.005409343    0.007634562    0.000953692
      4        6          -0.007903896   -0.003219148    0.001732737
      5        6          -0.002882725    0.003889786   -0.000001695
      6        6           0.001168503   -0.001162541   -0.001311852
      7        6           0.004433485   -0.005640167    0.004279825
      8        6          -0.002500972   -0.001781658   -0.008479776
      9        6          -0.000104073   -0.001159644    0.018421818
     10        6           0.012531571    0.006106057   -0.000789080
     11        6          -0.004985407   -0.002140761   -0.000681757
     12        6           0.009664227    0.006131796   -0.001381120
     13        6           0.000141210    0.002022134    0.000456829
     14        6          -0.000696022   -0.001346354   -0.001293868
     15        7           0.002404221   -0.001388938   -0.015233686
     16        6           0.005500508    0.007086702   -0.002771597
     17        6           0.000071335   -0.005235515    0.000571526
     18        7          -0.006406998   -0.003732877   -0.000536989
     19        6           0.004161012   -0.000475327   -0.002900626
     20        6          -0.001540608   -0.000333153    0.001501720
     21        6          -0.008717778   -0.005725213   -0.001459758
     22        6           0.002945991    0.000782329   -0.000589505
     23        6          -0.009635803    0.004851029    0.000153917
     24        6          -0.008217534   -0.006096918    0.000228861
     25        6           0.008586852    0.006060796    0.000698396
     26        6          -0.000512098    0.001006507   -0.000076091
     27        6          -0.001933179   -0.000463192   -0.006751002
     28        6           0.008539864    0.006517533   -0.000879198
     29        6          -0.000202030   -0.001406947    0.006870514
     30        6           0.001033251   -0.000782011    0.000660359
     31        6          -0.000272765   -0.000965074    0.000633696
     32        6          -0.001638890    0.000813493    0.006933854
     33        6           0.010063085   -0.005187515    0.000654510
     34        6          -0.001086709    0.000696327   -0.007114052
     35        6           0.000979449    0.000852335   -0.001241559
     36        6          -0.001374167    0.000607560   -0.000623981
     37        6           0.002028596    0.001089327   -0.006733324
     38        6          -0.008618994   -0.006770823   -0.001378102
     39        6           0.000422944    0.000643615    0.007043778
     40        6           0.000246029   -0.001283909    0.001170067
     41        7           0.000236651   -0.000089094    0.000071426
     42        7           0.000801411    0.000507221   -0.000165243
     43        7          -0.000246453   -0.000341702   -0.000076671
     44        6          -0.004231071   -0.005625415    0.005420113
     45        6          -0.001970080    0.004151098   -0.002185057
     46        6           0.003503594   -0.002919365    0.002094640
     47        6          -0.006943931   -0.002507928   -0.004596793
     48        6          -0.006605801    0.002127508    0.005062952
     49        6           0.002799041    0.003330152   -0.002727602
     50        6          -0.001298969   -0.004130831    0.002794287
     51        6          -0.005230155    0.003802691   -0.005702398
     52        6           0.005040338    0.005307704   -0.004547035
     53        6           0.001610817   -0.003936965    0.002784995
     54        6          -0.003022877    0.002789102   -0.002997322
     55        6           0.005227004    0.003247417    0.006119508
     56        6          -0.000203758    0.003393912   -0.000978824
     57        6           0.001906228   -0.000137391   -0.000512887
     58        6          -0.001571947   -0.003519521   -0.000368419
     59        6           0.001654728    0.002787617   -0.001451865
     60        6           0.003376783    0.000793587    0.001069342
     61        6          -0.003879580   -0.000447433    0.000758256
     62        6           0.000532127    0.001922248    0.000281097
     63        6           0.003276101   -0.001191427    0.000837793
     64        6           0.003028777    0.001578432   -0.001184593
     65        6           0.000741887   -0.001827732   -0.000190424
     66        6          -0.003870454   -0.000337275   -0.000341385
     67        6           0.003324726   -0.000208002   -0.001417324
     68        6           0.002114748   -0.002408690    0.001559710
     69        6          -0.001946615    0.003213252    0.000032259
     70        6           0.001834426    0.000510738    0.000257807
     71        6           0.000469858   -0.003262228    0.001326091
     72        6           0.000074918   -0.003352970    0.001165025
     73        6          -0.001987921    0.000036321    0.000074519
     74        6           0.001261741    0.003696386    0.000558932
     75        6          -0.001656828   -0.002970417    0.001168402
     76        6          -0.002962263   -0.000973084   -0.001856402
     77        6           0.003877047    0.000549412    0.000108693
     78        6          -0.000281003   -0.001949910   -0.000334491
     79        6          -0.003049109    0.001004060   -0.001615132
     80        8           0.000684124    0.006451022   -0.007077733
     81       15           0.003526130   -0.028850446    0.022699805
     82        8          -0.011471858    0.013825151   -0.018408929
     83        8          -0.004480397    0.012763110    0.002240230
     84        6           0.004405569   -0.001716991    0.014099170
     85        6           0.000549061   -0.003246386   -0.002372308
     86        6           0.002919359   -0.009541039   -0.003322599
     87        6           0.000507082    0.000667978   -0.000694952
     88        1           0.001499934    0.000683245    0.000897776
     89        1           0.001465586   -0.002889722   -0.000109976
     90        1          -0.002012660   -0.001000567   -0.000117964
     91        1           0.001589889   -0.000150836   -0.000666686
     92        1          -0.001840184    0.000645399    0.000147515
     93        1           0.001678061    0.001790175    0.001252019
     94        1          -0.001978537    0.001979847    0.000566997
     95        1          -0.000037596    0.001920647   -0.000283715
     96        1          -0.000023591   -0.000743590    0.000038802
     97        1           0.000195337    0.001676600    0.000765677
     98        1          -0.002041286    0.000502311    0.001601353
     99        1          -0.000282460   -0.002156676   -0.001516948
    100        1           0.001858274   -0.000256003   -0.000738224
    101        1           0.000372164   -0.001831899   -0.000509743
    102        1          -0.002032227   -0.001003810   -0.001315676
    103        1          -0.000548933    0.002211617    0.001363827
    104        1           0.001872465    0.000624911    0.000681511
    105        1          -0.001657941    0.000368159    0.000351921
    106        1          -0.000175467    0.002282927    0.001342412
    107        1           0.002345113   -0.000388278   -0.001181536
    108        1          -0.000116453   -0.001830100   -0.000677399
    109        1           0.000368079   -0.000335514    0.000014993
    110        1           0.000262823    0.000269643    0.000473244
    111        1          -0.000001556    0.000111367    0.000203079
    112        1           0.000960427   -0.001867903    0.001739315
    113        1          -0.001716215    0.001389515   -0.001646150
    114        1           0.000104860   -0.000052064   -0.000236680
    115        1           0.000290117    0.000121837   -0.000568973
    116        1          -0.000207635    0.000454351   -0.000056682
    117        1          -0.000137064   -0.000468964    0.000145806
    118        1           0.000339003   -0.000031267    0.000493552
    119        1           0.000099398    0.000113714    0.000223788
    120        1          -0.001355439   -0.001454878    0.002049431
    121        1           0.000602767    0.001855541   -0.001946488
    122        1          -0.000039550   -0.000113905   -0.000151508
    123        1           0.000269759   -0.000286277   -0.000443253
    124        1           0.000276649    0.000371174   -0.000064038
    125        1          -0.000340907    0.000300638   -0.000167400
    126        1          -0.000112010   -0.000305302   -0.000551706
    127        1           0.000074227   -0.000140521   -0.000218083
    128        1          -0.000606918    0.001831100   -0.002074787
    129        1           0.001286169   -0.001274060    0.002102635
    130        1          -0.000167416    0.000049511    0.000220283
    131        1          -0.000414316   -0.000115269    0.000478503
    132        1           0.000222592   -0.000444820    0.000092488
    133        1          -0.005072480    0.000660802   -0.000096297
    134        1          -0.000609446    0.003544779   -0.002590834
    135        1          -0.000587931    0.000298417   -0.000019867
    136        1          -0.000354402    0.000476203    0.000206525
    137        1          -0.000699403    0.000370629    0.000436778
    138        1          -0.000264723    0.000366832    0.000298155
    139        1           0.000168134    0.001000288    0.001328981
    140        1          -0.000415198   -0.000141832    0.000506899
    141        1          -0.000128187    0.000110568    0.000324819
    142        1          -0.000094409   -0.000197731    0.000620420
    143       17          -0.001272323    0.001643760   -0.001613230
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.028850446 RMS     0.003907568

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.013231079 RMS     0.001780622
 Search for a local minimum.
 Step number   5 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    4    5
 DE= -3.78D-02 DEPred=-3.48D-02 R= 1.08D+00
 TightC=F SS=  1.41D+00  RLast= 5.27D-01 DXNew= 8.4853D-01 1.5798D+00
 Trust test= 1.08D+00 RLast= 5.27D-01 DXMaxT set to 8.49D-01
 ITU=  1  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00417   0.00421   0.01056   0.01502   0.01610
     Eigenvalues ---    0.01968   0.02360   0.02554   0.02584   0.02597
     Eigenvalues ---    0.02618   0.02657   0.02687   0.02696   0.02703
     Eigenvalues ---    0.02705   0.02706   0.02712   0.02714   0.02715
     Eigenvalues ---    0.02722   0.02724   0.02726   0.02727   0.02740
     Eigenvalues ---    0.02753   0.02763   0.02768   0.02770   0.02771
     Eigenvalues ---    0.02773   0.02775   0.02782   0.02787   0.02787
     Eigenvalues ---    0.02791   0.02792   0.02792   0.02792   0.02792
     Eigenvalues ---    0.02793   0.02793   0.02794   0.02794   0.02798
     Eigenvalues ---    0.02801   0.02802   0.02803   0.02805   0.02809
     Eigenvalues ---    0.02809   0.02810   0.02810   0.02812   0.02813
     Eigenvalues ---    0.02814   0.02816   0.02817   0.02820   0.02821
     Eigenvalues ---    0.02821   0.02822   0.02823   0.02824   0.02824
     Eigenvalues ---    0.02824   0.02824   0.02825   0.02826   0.02830
     Eigenvalues ---    0.02833   0.02845   0.02845   0.02846   0.02846
     Eigenvalues ---    0.02848   0.02848   0.02855   0.02861   0.02867
     Eigenvalues ---    0.02871   0.02872   0.02872   0.02875   0.02875
     Eigenvalues ---    0.02876   0.02877   0.02878   0.02878   0.02879
     Eigenvalues ---    0.02880   0.02880   0.02880   0.02884   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02886   0.02886   0.02886
     Eigenvalues ---    0.02887   0.02887   0.02895   0.02898   0.02898
     Eigenvalues ---    0.02899   0.02901   0.02901   0.02903   0.02911
     Eigenvalues ---    0.02913   0.02913   0.02919   0.02920   0.02920
     Eigenvalues ---    0.02946   0.02955   0.02955   0.02960   0.02986
     Eigenvalues ---    0.03025   0.03025   0.03025   0.03133   0.03133
     Eigenvalues ---    0.03134   0.03146   0.03149   0.03194   0.03860
     Eigenvalues ---    0.04074   0.04652   0.04686   0.05374   0.05507
     Eigenvalues ---    0.05554   0.05687   0.05711   0.05770   0.05787
     Eigenvalues ---    0.06102   0.07427   0.08860   0.09629   0.10670
     Eigenvalues ---    0.11281   0.11904   0.13644   0.13972   0.14861
     Eigenvalues ---    0.15415   0.15917   0.15921   0.15930   0.15940
     Eigenvalues ---    0.15945   0.15951   0.15977   0.15979   0.15979
     Eigenvalues ---    0.15980   0.15980   0.15981   0.15985   0.15985
     Eigenvalues ---    0.15987   0.15990   0.15990   0.15991   0.15991
     Eigenvalues ---    0.15991   0.15991   0.15992   0.15994   0.15995
     Eigenvalues ---    0.15996   0.15997   0.15997   0.15997   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15998   0.15998
     Eigenvalues ---    0.15998   0.15998   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16072   0.16985   0.17844   0.19318   0.20988
     Eigenvalues ---    0.21958   0.21996   0.21996   0.21996   0.21996
     Eigenvalues ---    0.21996   0.21999   0.22006   0.22006   0.22006
     Eigenvalues ---    0.22237   0.22307   0.22439   0.22512   0.22585
     Eigenvalues ---    0.22586   0.22590   0.22590   0.22590   0.22681
     Eigenvalues ---    0.22882   0.22940   0.22942   0.23304   0.23401
     Eigenvalues ---    0.23514   0.23621   0.24002   0.24002   0.24262
     Eigenvalues ---    0.24393   0.24394   0.24396   0.24411   0.24442
     Eigenvalues ---    0.24443   0.24599   0.24655   0.24818   0.24884
     Eigenvalues ---    0.24885   0.24935   0.24936   0.24936   0.24965
     Eigenvalues ---    0.24981   0.24983   0.24990   0.24992   0.24995
     Eigenvalues ---    0.24998   0.24998   0.24999   0.24999   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25023   0.25823
     Eigenvalues ---    0.27080   0.29111   0.29761   0.29786   0.30073
     Eigenvalues ---    0.32014   0.32096   0.32126   0.32139   0.32146
     Eigenvalues ---    0.32150   0.32174   0.32202   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33288   0.33312
     Eigenvalues ---    0.33371   0.33391   0.33391   0.33401   0.33418
     Eigenvalues ---    0.33426   0.33541   0.33550   0.33561   0.33576
     Eigenvalues ---    0.33578   0.33585   0.33594   0.33603   0.33633
     Eigenvalues ---    0.33635   0.33637   0.33642   0.33644   0.33662
     Eigenvalues ---    0.33712   0.33720   0.33817   0.33818   0.33827
     Eigenvalues ---    0.33838   0.33846   0.33868   0.33897   0.33899
     Eigenvalues ---    0.33937   0.33941   0.33950   0.33956   0.33959
     Eigenvalues ---    0.34259   0.34911   0.34941   0.39005   0.41371
     Eigenvalues ---    0.42732   0.43333   0.44430   0.44435   0.44438
     Eigenvalues ---    0.44457   0.45160   0.47886   0.48905   0.48935
     Eigenvalues ---    0.48941   0.49144   0.49254   0.49535   0.49568
     Eigenvalues ---    0.49605   0.49608   0.49927   0.50190   0.50223
     Eigenvalues ---    0.50256   0.50396   0.50416   0.50421   0.50546
     Eigenvalues ---    0.50546   0.50550   0.51442   0.51617   0.52168
     Eigenvalues ---    0.52369   0.52632   0.53026   0.53351   0.53732
     Eigenvalues ---    0.54093   0.54116   0.54206   0.54208   0.54213
     Eigenvalues ---    0.54306   0.54516   0.54968   0.55147   0.55315
     Eigenvalues ---    0.55343   0.55358   0.55371   0.55386   0.55394
     Eigenvalues ---    0.55411   0.55456   0.55519   0.55599   0.55714
     Eigenvalues ---    0.55718   0.55744   0.55777   0.55916   0.55935
     Eigenvalues ---    0.55944   0.56144   0.56149   0.56151   0.56252
     Eigenvalues ---    0.56272   0.56309   0.56372   0.56660   0.56662
     Eigenvalues ---    0.56668   0.56670   0.56679   0.56701   0.56844
     Eigenvalues ---    0.56902   0.56916   0.56999   0.57153   0.57173
     Eigenvalues ---    0.57178   0.57190   0.57194   0.57210   0.57527
     Eigenvalues ---    0.59805   0.62220   0.66067   0.66075   0.67639
     Eigenvalues ---    0.67650   0.67656   0.69841   0.70041   0.70092
     Eigenvalues ---    0.73385   0.77058   0.79861
 RFO step:  Lambda=-2.27540318D-02 EMin= 4.17396412D-03
 Quartic linear search produced a step of  0.60680.
 Iteration  1 RMS(Cart)=  0.35144279 RMS(Int)=  0.00629044
 Iteration  2 RMS(Cart)=  0.02614048 RMS(Int)=  0.00053573
 Iteration  3 RMS(Cart)=  0.00012657 RMS(Int)=  0.00053466
 Iteration  4 RMS(Cart)=  0.00000009 RMS(Int)=  0.00053466
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64924  -0.00185  -0.00381  -0.00215  -0.00588   2.64337
    R2        2.67641  -0.00258  -0.00314  -0.00423  -0.00729   2.66912
    R3        2.78167   0.00710   0.00483   0.01764   0.02247   2.80414
    R4        2.65126   0.00086  -0.00452   0.00534   0.00082   2.65208
    R5        2.04675  -0.00172  -0.00157  -0.00598  -0.00755   2.03919
    R6        2.67776  -0.00481  -0.00763  -0.00690  -0.01446   2.66329
    R7        2.75936   0.00418   0.00475   0.01012   0.01518   2.77455
    R8        2.65260  -0.00028  -0.00396   0.00176  -0.00228   2.65032
    R9        2.74862   0.00309  -0.00317   0.01072   0.00742   2.75604
   R10        2.61454  -0.00190  -0.00258  -0.00310  -0.00569   2.60886
   R11        2.04661  -0.00044  -0.00481   0.00092  -0.00389   2.04272
   R12        2.04990  -0.00098  -0.00423  -0.00164  -0.00587   2.04403
   R13        2.71373  -0.00326  -0.00087  -0.00750  -0.00832   2.70542
   R14        2.64197   0.00078  -0.00483   0.00522   0.00044   2.64241
   R15        2.72422  -0.00050   0.00402  -0.00353   0.00026   2.72449
   R16        2.67481  -0.00225  -0.00065  -0.00501  -0.00577   2.66904
   R17        2.74593  -0.00001   0.00241  -0.00296  -0.00137   2.74456
   R18        2.62329  -0.00199   0.00105  -0.00603  -0.00435   2.61895
   R19        5.63233  -0.00522  -0.03286  -0.10314  -0.13613   5.49620
   R20        2.49903  -0.00784  -0.01464  -0.00750  -0.02182   2.47721
   R21        2.65494  -0.00232  -0.00628  -0.00192  -0.00806   2.64688
   R22        2.04511  -0.00161  -0.00156  -0.00556  -0.00712   2.03800
   R23        2.67480  -0.00226  -0.00402  -0.00285  -0.00679   2.66801
   R24        2.77165   0.00669   0.00451   0.01657   0.02108   2.79273
   R25        2.60461  -0.00146  -0.00163  -0.00254  -0.00421   2.60040
   R26        2.04827  -0.00087  -0.00467  -0.00091  -0.00557   2.04269
   R27        2.03827   0.00030  -0.00799   0.00586  -0.00213   2.03614
   R28        2.64239   0.00691   0.00618   0.01501   0.02083   2.66321
   R29        3.38749   0.00652   0.00428   0.02544   0.03008   3.41757
   R30        5.81066   0.00509   0.02243   0.08246   0.10473   5.91540
   R31        2.69494  -0.00348  -0.00109  -0.00529  -0.00592   2.68901
   R32        2.66031   0.00084  -0.00039   0.00338   0.00291   2.66322
   R33        2.55593   0.00084  -0.00211   0.00357   0.00236   2.55829
   R34        2.66432  -0.00027  -0.00639   0.00329  -0.00311   2.66120
   R35        2.61593  -0.00137  -0.00342  -0.00118  -0.00459   2.61135
   R36        2.04523  -0.00243  -0.00771  -0.00557  -0.01328   2.03195
   R37        2.68859  -0.00240  -0.00313  -0.00421  -0.00724   2.68135
   R38        2.04941  -0.00076  -0.00451  -0.00056  -0.00507   2.04433
   R39        2.63373  -0.00346  -0.00841  -0.00444  -0.01275   2.62098
   R40        2.77908   0.00668   0.00447   0.01651   0.02098   2.80006
   R41        2.04784  -0.00071  -0.00350  -0.00096  -0.00446   2.04338
   R42        2.66390  -0.00216  -0.00359  -0.00304  -0.00669   2.65721
   R43        2.66426  -0.00258  -0.00340  -0.00430  -0.00775   2.65651
   R44        2.66579  -0.00212  -0.00312  -0.00320  -0.00638   2.65942
   R45        2.66651  -0.00250  -0.00298  -0.00434  -0.00737   2.65914
   R46        2.66322  -0.00244  -0.00357  -0.00377  -0.00740   2.65581
   R47        2.66368  -0.00241  -0.00341  -0.00385  -0.00731   2.65637
   R48        2.62333  -0.00020  -0.00214   0.00108  -0.00106   2.62227
   R49        2.04981  -0.00080  -0.00441  -0.00076  -0.00518   2.04463
   R50        2.66284  -0.00280  -0.00622  -0.00325  -0.00942   2.65342
   R51        2.04697  -0.00123  -0.00341  -0.00315  -0.00655   2.04042
   R52        2.66337  -0.00280  -0.00622  -0.00331  -0.00947   2.65390
   R53        2.65080   0.00457  -0.00183   0.01157   0.00974   2.66054
   R54        2.62367  -0.00031  -0.00213   0.00071  -0.00142   2.62225
   R55        2.04687  -0.00121  -0.00347  -0.00303  -0.00650   2.04037
   R56        2.05028  -0.00070  -0.00494  -0.00005  -0.00500   2.04528
   R57        2.62586  -0.00020  -0.00220   0.00111  -0.00109   2.62476
   R58        2.05025  -0.00088  -0.00425  -0.00120  -0.00545   2.04480
   R59        2.66100  -0.00292  -0.00637  -0.00350  -0.00982   2.65119
   R60        2.04723  -0.00124  -0.00326  -0.00327  -0.00653   2.04070
   R61        2.66157  -0.00291  -0.00622  -0.00360  -0.00976   2.65181
   R62        2.65472   0.00491  -0.00154   0.01213   0.01059   2.66531
   R63        2.62572  -0.00026  -0.00218   0.00088  -0.00129   2.62443
   R64        2.04708  -0.00118  -0.00336  -0.00293  -0.00629   2.04079
   R65        2.05087  -0.00074  -0.00479  -0.00030  -0.00509   2.04578
   R66        2.62584  -0.00004  -0.00205   0.00145  -0.00061   2.62523
   R67        2.05079  -0.00079  -0.00473  -0.00057  -0.00530   2.04548
   R68        2.66095  -0.00276  -0.00624  -0.00318  -0.00937   2.65158
   R69        2.04710  -0.00124  -0.00330  -0.00324  -0.00654   2.04056
   R70        2.66274  -0.00284  -0.00625  -0.00340  -0.00959   2.65315
   R71        2.65349   0.00488  -0.00159   0.01209   0.01051   2.66400
   R72        2.62455  -0.00022  -0.00214   0.00095  -0.00119   2.62336
   R73        2.04688  -0.00118  -0.00319  -0.00303  -0.00622   2.04066
   R74        2.05062  -0.00070  -0.00458  -0.00025  -0.00483   2.04579
   R75        2.66392   0.00100  -0.00063   0.00422   0.00359   2.66751
   R76        2.66422   0.00115  -0.00084   0.00468   0.00384   2.66806
   R77        2.66598   0.00139  -0.00046   0.00500   0.00454   2.67052
   R78        2.66502   0.00133  -0.00040   0.00486   0.00446   2.66948
   R79        2.66461   0.00112  -0.00055   0.00446   0.00391   2.66852
   R80        2.66490   0.00120  -0.00074   0.00473   0.00399   2.66889
   R81        2.68224  -0.00222  -0.00555  -0.00227  -0.00777   2.67447
   R82        2.64952  -0.00178  -0.00827   0.00058  -0.00764   2.64188
   R83        2.74134  -0.00293   0.00096  -0.00752  -0.00655   2.73478
   R84        2.64163  -0.00057  -0.00398   0.00109  -0.00290   2.63873
   R85        2.68206  -0.00219  -0.00538  -0.00230  -0.00762   2.67443
   R86        2.64170  -0.00061  -0.00399   0.00098  -0.00301   2.63869
   R87        2.64957  -0.00180  -0.00815   0.00047  -0.00764   2.64193
   R88        2.68272  -0.00216  -0.00533  -0.00226  -0.00754   2.67518
   R89        2.65007  -0.00184  -0.00814   0.00034  -0.00775   2.64232
   R90        2.74085  -0.00304   0.00091  -0.00767  -0.00677   2.73408
   R91        2.64202  -0.00062  -0.00403   0.00100  -0.00303   2.63899
   R92        2.68257  -0.00206  -0.00541  -0.00185  -0.00721   2.67536
   R93        2.64198  -0.00060  -0.00400   0.00105  -0.00296   2.63902
   R94        2.64990  -0.00174  -0.00826   0.00068  -0.00754   2.64237
   R95        2.68252  -0.00220  -0.00539  -0.00232  -0.00766   2.67486
   R96        2.64982  -0.00179  -0.00813   0.00046  -0.00762   2.64219
   R97        2.74093  -0.00301   0.00094  -0.00764  -0.00670   2.73423
   R98        2.64187  -0.00059  -0.00397   0.00104  -0.00293   2.63894
   R99        2.68248  -0.00211  -0.00544  -0.00200  -0.00739   2.67509
   R100       2.64191  -0.00060  -0.00399   0.00103  -0.00296   2.63894
   R101       2.64976  -0.00173  -0.00826   0.00071  -0.00750   2.64226
   R102       2.63217  -0.00163  -0.00209  -0.00263  -0.00477   2.62740
   R103       2.05181   0.00006  -0.00455   0.00285  -0.00169   2.05012
   R104       2.65506  -0.00222  -0.00069  -0.00464  -0.00538   2.64968
   R105       2.05179  -0.00026  -0.00616   0.00248  -0.00368   2.04811
   R106       2.63446  -0.00008  -0.00112   0.00100  -0.00013   2.63433
   R107       2.05161   0.00005  -0.00607   0.00375  -0.00232   2.04929
   R108       2.04774  -0.00136  -0.00406  -0.00325  -0.00731   2.04043
   R109       2.63442  -0.00007  -0.00110   0.00100  -0.00010   2.63432
   R110       2.04767  -0.00140  -0.00398  -0.00346  -0.00744   2.04022
   R111       2.65520  -0.00228  -0.00070  -0.00478  -0.00553   2.64967
   R112       2.05151   0.00006  -0.00609   0.00380  -0.00230   2.04921
   R113       2.63204  -0.00163  -0.00203  -0.00267  -0.00475   2.62729
   R114       2.05178  -0.00026  -0.00624   0.00254  -0.00370   2.04808
   R115       2.05184   0.00005  -0.00459   0.00285  -0.00174   2.05010
   R116       2.63193  -0.00165  -0.00206  -0.00272  -0.00482   2.62711
   R117       2.05190   0.00006  -0.00470   0.00295  -0.00174   2.05016
   R118       2.65543  -0.00223  -0.00064  -0.00471  -0.00540   2.65004
   R119       2.05187  -0.00026  -0.00618   0.00250  -0.00369   2.04818
   R120       2.63444  -0.00014  -0.00123   0.00087  -0.00036   2.63408
   R121       2.05164   0.00007  -0.00603   0.00378  -0.00226   2.04939
   R122       2.04776  -0.00143  -0.00405  -0.00355  -0.00760   2.04016
   R123       2.63443  -0.00014  -0.00116   0.00086  -0.00030   2.63413
   R124       2.04765  -0.00134  -0.00406  -0.00317  -0.00723   2.04041
   R125       2.65523  -0.00216  -0.00066  -0.00448  -0.00518   2.65006
   R126       2.05170   0.00006  -0.00612   0.00379  -0.00232   2.04938
   R127       2.63192  -0.00161  -0.00209  -0.00257  -0.00471   2.62721
   R128       2.05188  -0.00026  -0.00632   0.00257  -0.00376   2.04812
   R129       2.05189   0.00007  -0.00457   0.00292  -0.00166   2.05023
   R130       2.63192  -0.00162  -0.00200  -0.00268  -0.00473   2.62719
   R131       2.05187   0.00006  -0.00466   0.00292  -0.00174   2.05014
   R132       2.65533  -0.00226  -0.00067  -0.00475  -0.00547   2.64986
   R133       2.05183  -0.00026  -0.00624   0.00254  -0.00370   2.04813
   R134       2.63447  -0.00012  -0.00119   0.00093  -0.00026   2.63421
   R135       2.05160   0.00007  -0.00607   0.00381  -0.00226   2.04935
   R136       2.04776  -0.00142  -0.00392  -0.00359  -0.00751   2.04025
   R137       2.63436  -0.00010  -0.00114   0.00095  -0.00019   2.63416
   R138       2.04771  -0.00136  -0.00404  -0.00329  -0.00733   2.04038
   R139       2.65524  -0.00220  -0.00066  -0.00459  -0.00530   2.64994
   R140       2.05162   0.00006  -0.00613   0.00380  -0.00233   2.04929
   R141       2.63199  -0.00164  -0.00209  -0.00266  -0.00480   2.62720
   R142       2.05181  -0.00026  -0.00623   0.00255  -0.00369   2.04812
   R143       2.05188   0.00006  -0.00461   0.00289  -0.00171   2.05017
   R144       2.79186  -0.00662  -0.00487  -0.00952  -0.01439   2.77747
   R145       3.07058  -0.01323  -0.02065  -0.03709  -0.05714   3.01344
   R146       3.06739  -0.00351  -0.01488  -0.00362  -0.01850   3.04889
   R147       2.73423   0.00784   0.01740   0.01680   0.03414   2.76838
   R148       2.72250   0.00740   0.01435   0.01561   0.02995   2.75245
   R149       2.87357  -0.00092  -0.00296  -0.00252  -0.00548   2.86810
   R150       2.05896  -0.00060  -0.00785   0.00460  -0.00330   2.05565
   R151       2.06846  -0.00196  -0.00851  -0.00445  -0.01279   2.05567
   R152       2.06743  -0.00001  -0.00591   0.00340  -0.00251   2.06492
   R153       2.06944  -0.00048  -0.00578   0.00128  -0.00449   2.06494
   R154       2.07034  -0.00066  -0.00598   0.00063  -0.00535   2.06499
   R155       2.86982  -0.00081  -0.00280  -0.00212  -0.00492   2.86490
   R156       2.06952  -0.00011  -0.00674   0.00345  -0.00329   2.06624
   R157       2.06902  -0.00037  -0.00664   0.00228  -0.00436   2.06465
   R158       2.06764  -0.00045  -0.00608   0.00160  -0.00448   2.06316
   R159       2.06864  -0.00017  -0.00566   0.00257  -0.00309   2.06554
   R160       2.06860  -0.00050  -0.00627   0.00149  -0.00478   2.06382
   R161       5.71966  -0.00495  -0.03242  -0.06802  -0.10119   5.61847
   R162       5.89208  -0.00126  -0.01056  -0.04494  -0.05569   5.83639
    A1        2.02881   0.00182   0.02083  -0.00223   0.01869   2.04750
    A2        2.12945  -0.00133  -0.01074  -0.00096  -0.01175   2.11770
    A3        2.12480  -0.00049  -0.01007   0.00323  -0.00688   2.11792
    A4        2.15858  -0.00199  -0.02031   0.00177  -0.01857   2.14001
    A5        2.05887   0.00122   0.01654  -0.00338   0.01313   2.07200
    A6        2.06552   0.00078   0.00385   0.00179   0.00562   2.07113
    A7        2.06576   0.00041   0.00486  -0.00077   0.00400   2.06976
    A8        2.14347  -0.00060  -0.00925   0.00157  -0.00751   2.13596
    A9        2.07189   0.00016   0.00410  -0.00129   0.00263   2.07452
   A10        2.07357   0.00092   0.01155  -0.00179   0.00985   2.08342
   A11        2.10925   0.00073  -0.00021   0.00333   0.00254   2.11179
   A12        2.10023  -0.00165  -0.01131  -0.00148  -0.01233   2.08790
   A13        2.11881  -0.00058  -0.00966   0.00215  -0.00769   2.11113
   A14        2.09034  -0.00299  -0.01628  -0.01334  -0.02955   2.06079
   A15        2.07403   0.00357   0.02595   0.01119   0.03720   2.11123
   A16        2.12037  -0.00057  -0.00716   0.00109  -0.00608   2.11428
   A17        2.11985  -0.00179  -0.01056  -0.00771  -0.01829   2.10156
   A18        2.04266   0.00237   0.01780   0.00673   0.02452   2.06718
   A19        2.10330   0.00008   0.00370  -0.00319   0.00026   2.10355
   A20        2.11725   0.00029  -0.01061   0.00803  -0.00247   2.11478
   A21        2.06263  -0.00037   0.00694  -0.00492   0.00170   2.06434
   A22        2.10157  -0.00088  -0.01585   0.00162  -0.01492   2.08665
   A23        2.02658   0.00231   0.00693   0.01039   0.01746   2.04405
   A24        2.15161  -0.00142   0.00868  -0.01164  -0.00242   2.14919
   A25        2.05956   0.00195   0.01281   0.00173   0.01403   2.07358
   A26        2.18306  -0.00222  -0.00710  -0.01480  -0.02470   2.15836
   A27        1.83796   0.00049   0.01038   0.00003   0.01148   1.84944
   A28        2.04049   0.00024  -0.00564   0.01252   0.00777   2.04826
   A29        1.47121  -0.00281  -0.01616  -0.02966  -0.04646   1.42475
   A30        2.10079  -0.00236  -0.00742  -0.00848  -0.01636   2.08443
   A31        2.03286   0.00131  -0.01092   0.01978   0.01007   2.04293
   A32        2.14900   0.00104   0.01846  -0.01104   0.00659   2.15559
   A33        2.16921  -0.00197  -0.01809   0.00087  -0.01727   2.15194
   A34        2.05618   0.00052   0.00192   0.00066   0.00246   2.05864
   A35        2.05780   0.00145   0.01622  -0.00153   0.01458   2.07237
   A36        2.01890   0.00189   0.01852  -0.00006   0.01855   2.03745
   A37        2.13216  -0.00130  -0.01033  -0.00129  -0.01167   2.12049
   A38        2.13161  -0.00060  -0.00828   0.00132  -0.00701   2.12459
   A39        2.11012   0.00004  -0.00356   0.00311  -0.00053   2.10960
   A40        2.12615  -0.00179  -0.01140  -0.00693  -0.01830   2.10785
   A41        2.04670   0.00175   0.01500   0.00385   0.01888   2.06559
   A42        2.14379  -0.00161  -0.00902  -0.00420  -0.01353   2.13026
   A43        2.09919  -0.00187  -0.00820  -0.01111  -0.01921   2.07997
   A44        2.03865   0.00344   0.01674   0.01506   0.03183   2.07048
   A45        2.08209  -0.00087  -0.00310  -0.00600  -0.00891   2.07318
   A46        2.15160  -0.00313  -0.00227  -0.03225  -0.03648   2.11513
   A47        2.03341   0.00374   0.00278   0.03022   0.03283   2.06624
   A48        1.72598   0.00126   0.00475   0.03392   0.03716   1.76313
   A49        1.56295   0.00029   0.00185  -0.01113  -0.01023   1.55272
   A50        2.07575  -0.00265  -0.00679  -0.00424  -0.01194   2.06381
   A51        2.16126   0.00243  -0.01023   0.01387   0.00425   2.16551
   A52        2.04441   0.00021   0.01711  -0.01047   0.00688   2.05129
   A53        2.12300   0.00155   0.01681  -0.00001   0.01716   2.14016
   A54        2.10014   0.00003  -0.00558   0.00404  -0.00188   2.09826
   A55        2.06004  -0.00157  -0.01123  -0.00402  -0.01527   2.04477
   A56        2.07829   0.00054  -0.01993   0.00849  -0.01136   2.06693
   A57        2.10955  -0.00080  -0.01320   0.00601  -0.00736   2.10219
   A58        2.12221  -0.00112  -0.00381  -0.00833  -0.01209   2.11012
   A59        2.05119   0.00191   0.01696   0.00213   0.01914   2.07033
   A60        2.14774  -0.00013  -0.00544   0.00301  -0.00242   2.14532
   A61        2.02709   0.00183   0.01471   0.00472   0.01939   2.04648
   A62        2.10833  -0.00170  -0.00923  -0.00767  -0.01695   2.09138
   A63        2.01788   0.00099   0.01855  -0.00719   0.01148   2.02936
   A64        2.12929  -0.00053  -0.00994   0.00382  -0.00620   2.12309
   A65        2.13597  -0.00047  -0.00860   0.00332  -0.00535   2.13061
   A66        2.14069  -0.00023  -0.01040   0.00493  -0.00550   2.13519
   A67        2.00963  -0.00009   0.00418  -0.00349   0.00067   2.01030
   A68        2.13285   0.00032   0.00621  -0.00150   0.00469   2.13753
   A69        2.12974  -0.00018  -0.01237   0.00643  -0.00589   2.12385
   A70        2.14520  -0.00157  -0.00899  -0.00331  -0.01225   2.13295
   A71        2.00821   0.00175   0.02138  -0.00309   0.01817   2.02638
   A72        2.12931  -0.00014  -0.01154   0.00620  -0.00529   2.12402
   A73        2.14283  -0.00153  -0.00851  -0.00330  -0.01176   2.13107
   A74        2.01067   0.00168   0.02013  -0.00275   0.01725   2.02791
   A75        2.13602  -0.00021  -0.01001   0.00486  -0.00511   2.13091
   A76        2.13418  -0.00154  -0.01059  -0.00206  -0.01261   2.12156
   A77        2.01280   0.00176   0.02065  -0.00269   0.01784   2.03065
   A78        2.14038  -0.00062  -0.00755   0.00160  -0.00602   2.13436
   A79        2.11194  -0.00137  -0.00716  -0.00701  -0.01414   2.09781
   A80        2.03073   0.00198   0.01469   0.00536   0.02008   2.05081
   A81        2.12253  -0.00185  -0.01870   0.00101  -0.01764   2.10488
   A82        2.04874   0.00315   0.02274   0.00864   0.03137   2.08011
   A83        2.10866  -0.00129  -0.00365  -0.00956  -0.01325   2.09541
   A84        2.03022   0.00312   0.03247  -0.00280   0.02979   2.06000
   A85        2.12594  -0.00150  -0.01666   0.00197  -0.01474   2.11120
   A86        2.12702  -0.00162  -0.01581   0.00083  -0.01504   2.11198
   A87        2.12179  -0.00170  -0.01837   0.00155  -0.01679   2.10499
   A88        2.10893  -0.00136  -0.00384  -0.00950  -0.01345   2.09548
   A89        2.04747   0.00312   0.02309   0.00867   0.03169   2.07917
   A90        2.14067  -0.00063  -0.00790   0.00150  -0.00647   2.13421
   A91        2.11451  -0.00161  -0.00676  -0.00896  -0.01572   2.09879
   A92        2.02694   0.00225   0.01491   0.00770   0.02261   2.04954
   A93        2.14200  -0.00070  -0.00836   0.00161  -0.00681   2.13519
   A94        2.11168  -0.00140  -0.00726  -0.00727  -0.01450   2.09718
   A95        2.02901   0.00210   0.01563   0.00558   0.02123   2.05024
   A96        2.12281  -0.00184  -0.01875   0.00112  -0.01758   2.10523
   A97        2.04741   0.00313   0.02265   0.00861   0.03123   2.07865
   A98        2.10915  -0.00127  -0.00340  -0.00956  -0.01301   2.09614
   A99        2.02859   0.00320   0.03297  -0.00274   0.03036   2.05896
   A100       2.12706  -0.00139  -0.01700   0.00285  -0.01421   2.11285
   A101       2.12753  -0.00181  -0.01597  -0.00012  -0.01615   2.11138
   A102       2.12254  -0.00176  -0.01866   0.00136  -0.01727   2.10528
   A103       2.10888  -0.00132  -0.00321  -0.00964  -0.01295   2.09593
   A104       2.04723   0.00312   0.02265   0.00894   0.03152   2.07875
   A105       2.14212  -0.00065  -0.00854   0.00179  -0.00681   2.13531
   A106       2.11507  -0.00164  -0.00671  -0.00930  -0.01601   2.09906
   A107       2.02511   0.00231   0.01544   0.00770   0.02315   2.04825
   A108       2.13949  -0.00070  -0.00799   0.00129  -0.00676   2.13274
   A109       2.11328  -0.00121  -0.00557  -0.00686  -0.01239   2.10089
   A110       2.03008   0.00191   0.01355   0.00548   0.01905   2.04914
   A111       2.12211  -0.00177  -0.01853   0.00138  -0.01710   2.10501
   A112       2.04813   0.00313   0.02284   0.00850   0.03131   2.07944
   A113       2.10947  -0.00134  -0.00388  -0.00978  -0.01371   2.09576
   A114       2.03026   0.00309   0.03241  -0.00291   0.02963   2.05989
   A115       2.12645  -0.00146  -0.01698   0.00238  -0.01466   2.11179
   A116       2.12647  -0.00163  -0.01544   0.00053  -0.01497   2.11150
   A117       2.12241  -0.00176  -0.01847   0.00132  -0.01712   2.10530
   A118       2.10918  -0.00132  -0.00355  -0.00949  -0.01315   2.09603
   A119       2.04683   0.00313   0.02286   0.00885   0.03165   2.07848
   A120       2.13923  -0.00062  -0.00804   0.00165  -0.00645   2.13279
   A121       2.11114  -0.00153  -0.00627  -0.00862  -0.01490   2.09625
   A122       2.03173   0.00217   0.01455   0.00723   0.02178   2.05351
   A123       2.19852   0.00071  -0.00246   0.00390   0.00142   2.19994
   A124       2.19618   0.00137  -0.00341   0.00811   0.00468   2.20086
   A125       1.88848  -0.00208   0.00587  -0.01201  -0.00611   1.88237
   A126       2.19632   0.00125  -0.00261   0.00686   0.00424   2.20056
   A127       2.19819   0.00090  -0.00286   0.00509   0.00220   2.20039
   A128       1.88864  -0.00215   0.00548  -0.01194  -0.00643   1.88222
   A129       2.19825   0.00078  -0.00264   0.00438   0.00172   2.19997
   A130       2.19632   0.00134  -0.00294   0.00763   0.00468   2.20100
   A131       1.88860  -0.00212   0.00558  -0.01201  -0.00639   1.88221
   A132       1.89859   0.00047  -0.00465   0.00627   0.00159   1.90018
   A133       2.29573  -0.00289  -0.01902  -0.00473  -0.02381   2.27193
   A134       2.08487   0.00241   0.02385  -0.00186   0.02208   2.10696
   A135       1.86931   0.00061   0.00198  -0.00030   0.00168   1.87099
   A136       2.11359  -0.00191  -0.01346  -0.00145  -0.01486   2.09873
   A137       2.30019   0.00130   0.01147   0.00172   0.01314   2.31333
   A138       1.86916   0.00059   0.00198  -0.00039   0.00159   1.87074
   A139       2.30091   0.00128   0.01127   0.00172   0.01294   2.31385
   A140       2.11308  -0.00187  -0.01325  -0.00136  -0.01457   2.09851
   A141       1.89903   0.00048  -0.00475   0.00638   0.00161   1.90064
   A142       2.29524  -0.00288  -0.01854  -0.00505  -0.02365   2.27160
   A143       2.08518   0.00239   0.02340  -0.00174   0.02174   2.10692
   A144       1.89935   0.00055  -0.00498   0.00677   0.00176   1.90111
   A145       2.29594  -0.00303  -0.01845  -0.00578  -0.02428   2.27166
   A146       2.08421   0.00247   0.02356  -0.00137   0.02227   2.10648
   A147       1.86879   0.00053   0.00204  -0.00066   0.00138   1.87017
   A148       2.11364  -0.00193  -0.01345  -0.00160  -0.01501   2.09863
   A149       2.30070   0.00140   0.01140   0.00223   0.01358   2.31428
   A150       1.86875   0.00056   0.00197  -0.00037   0.00160   1.87034
   A151       2.30073   0.00134   0.01160   0.00165   0.01321   2.31393
   A152       2.11363  -0.00190  -0.01357  -0.00131  -0.01483   2.09880
   A153       1.89936   0.00044  -0.00484   0.00628   0.00141   1.90077
   A154       2.29547  -0.00280  -0.01884  -0.00444  -0.02334   2.27213
   A155       2.08444   0.00235   0.02387  -0.00214   0.02182   2.10626
   A156       1.89905   0.00055  -0.00473   0.00666   0.00190   1.90095
   A157       2.29586  -0.00298  -0.01871  -0.00541  -0.02417   2.27169
   A158       2.08460   0.00242   0.02356  -0.00164   0.02200   2.10660
   A159       1.86905   0.00054   0.00192  -0.00057   0.00135   1.87039
   A160       2.11346  -0.00189  -0.01335  -0.00144  -0.01475   2.09871
   A161       2.30063   0.00135   0.01143   0.00198   0.01336   2.31399
   A162       1.86899   0.00057   0.00197  -0.00035   0.00161   1.87060
   A163       2.30059   0.00130   0.01150   0.00159   0.01305   2.31364
   A164       2.11352  -0.00188  -0.01347  -0.00127  -0.01469   2.09883
   A165       1.89903   0.00047  -0.00469   0.00630   0.00158   1.90061
   A166       2.29566  -0.00281  -0.01894  -0.00442  -0.02341   2.27224
   A167       2.08452   0.00234   0.02383  -0.00216   0.02176   2.10627
   A168       2.07672   0.00059   0.00023   0.00259   0.00278   2.07950
   A169       2.10291  -0.00080  -0.00625  -0.00118  -0.00741   2.09550
   A170       2.10348   0.00021   0.00602  -0.00142   0.00462   2.10810
   A171       2.09286   0.00036   0.00385  -0.00051   0.00323   2.09610
   A172       2.09556   0.00004  -0.00141   0.00174   0.00036   2.09592
   A173       2.09426  -0.00039  -0.00228  -0.00111  -0.00336   2.09090
   A174       2.12401   0.00004   0.00264  -0.00095   0.00163   2.12564
   A175       2.08720   0.00002   0.00301  -0.00212   0.00089   2.08809
   A176       2.07175  -0.00005  -0.00554   0.00319  -0.00235   2.06940
   A177       2.07137  -0.00149  -0.01652   0.00208  -0.01441   2.05697
   A178       2.14480  -0.00134  -0.00773  -0.00697  -0.01474   2.13005
   A179       2.06599   0.00285   0.02444   0.00505   0.02946   2.09545
   A180       2.07129  -0.00151  -0.01686   0.00217  -0.01464   2.05665
   A181       2.14586  -0.00138  -0.00805  -0.00707  -0.01516   2.13070
   A182       2.06491   0.00290   0.02512   0.00507   0.03015   2.09506
   A183       2.12437   0.00004   0.00267  -0.00097   0.00164   2.12601
   A184       2.07136  -0.00006  -0.00572   0.00324  -0.00249   2.06887
   A185       2.08718   0.00003   0.00319  -0.00213   0.00105   2.08823
   A186       2.09272   0.00037   0.00397  -0.00056   0.00331   2.09603
   A187       2.09425  -0.00039  -0.00231  -0.00106  -0.00335   2.09090
   A188       2.09567   0.00003  -0.00149   0.00175   0.00029   2.09595
   A189       2.07649   0.00060   0.00014   0.00271   0.00280   2.07930
   A190       2.10301  -0.00081  -0.00632  -0.00121  -0.00751   2.09550
   A191       2.10356   0.00021   0.00620  -0.00150   0.00472   2.10828
   A192       2.07671   0.00061   0.00026   0.00271   0.00292   2.07963
   A193       2.10292  -0.00082  -0.00642  -0.00125  -0.00765   2.09527
   A194       2.10347   0.00022   0.00617  -0.00147   0.00473   2.10820
   A195       2.09251   0.00037   0.00392  -0.00059   0.00322   2.09573
   A196       2.09583   0.00003  -0.00149   0.00175   0.00028   2.09611
   A197       2.09434  -0.00038  -0.00226  -0.00103  -0.00326   2.09108
   A198       2.12441   0.00007   0.00270  -0.00088   0.00176   2.12617
   A199       2.08721  -0.00001   0.00301  -0.00226   0.00074   2.08796
   A200       2.07133  -0.00006  -0.00558   0.00326  -0.00233   2.06900
   A201       2.07155  -0.00148  -0.01682   0.00231  -0.01447   2.05708
   A202       2.14544  -0.00146  -0.00844  -0.00741  -0.01590   2.12954
   A203       2.06514   0.00296   0.02547   0.00529   0.03073   2.09586
   A204       2.07174  -0.00152  -0.01661   0.00192  -0.01465   2.05709
   A205       2.14502  -0.00143  -0.00804  -0.00753  -0.01561   2.12940
   A206       2.06538   0.00296   0.02483   0.00575   0.03055   2.09593
   A207       2.12446   0.00003   0.00262  -0.00102   0.00154   2.12600
   A208       2.07106  -0.00000  -0.00523   0.00337  -0.00186   2.06920
   A209       2.08744  -0.00002   0.00272  -0.00225   0.00047   2.08791
   A210       2.09242   0.00038   0.00386  -0.00037   0.00339   2.09580
   A211       2.09457  -0.00041  -0.00238  -0.00122  -0.00356   2.09101
   A212       2.09570   0.00004  -0.00134   0.00170   0.00039   2.09608
   A213       2.07686   0.00058   0.00033   0.00253   0.00282   2.07968
   A214       2.10241  -0.00076  -0.00610  -0.00100  -0.00707   2.09534
   A215       2.10383   0.00018   0.00577  -0.00155   0.00425   2.10807
   A216       2.07673   0.00060   0.00018   0.00273   0.00286   2.07959
   A217       2.10270  -0.00079  -0.00621  -0.00116  -0.00735   2.09535
   A218       2.10364   0.00019   0.00605  -0.00158   0.00449   2.10814
   A219       2.09255   0.00036   0.00394  -0.00062   0.00321   2.09576
   A220       2.09577   0.00003  -0.00147   0.00178   0.00033   2.09610
   A221       2.09429  -0.00038  -0.00228  -0.00101  -0.00327   2.09102
   A222       2.12433   0.00006   0.00271  -0.00090   0.00174   2.12606
   A223       2.08715   0.00001   0.00307  -0.00222   0.00085   2.08800
   A224       2.07143  -0.00006  -0.00564   0.00326  -0.00239   2.06904
   A225       2.07153  -0.00148  -0.01681   0.00235  -0.01442   2.05711
   A226       2.14556  -0.00143  -0.00827  -0.00734  -0.01565   2.12991
   A227       2.06498   0.00293   0.02529   0.00517   0.03042   2.09540
   A228       2.07158  -0.00151  -0.01665   0.00201  -0.01459   2.05699
   A229       2.14538  -0.00140  -0.00796  -0.00731  -0.01532   2.13007
   A230       2.06520   0.00293   0.02481   0.00546   0.03024   2.09544
   A231       2.12434   0.00004   0.00263  -0.00095   0.00162   2.12596
   A232       2.07156  -0.00007  -0.00571   0.00316  -0.00256   2.06900
   A233       2.08704   0.00004   0.00321  -0.00208   0.00111   2.08816
   A234       2.09258   0.00037   0.00393  -0.00050   0.00333   2.09591
   A235       2.09439  -0.00039  -0.00235  -0.00110  -0.00342   2.09096
   A236       2.09571   0.00003  -0.00142   0.00173   0.00033   2.09605
   A237       2.07678   0.00058   0.00019   0.00260   0.00275   2.07953
   A238       2.10285  -0.00080  -0.00631  -0.00118  -0.00747   2.09538
   A239       2.10347   0.00022   0.00612  -0.00142   0.00472   2.10819
   A240       2.03524  -0.00005  -0.00061   0.00214   0.00292   2.03816
   A241       1.95201  -0.00681  -0.04646  -0.03200  -0.07655   1.87546
   A242       1.72898  -0.00506  -0.06317   0.00082  -0.06414   1.66484
   A243       1.96606   0.00621   0.05529   0.02147   0.07407   2.04013
   A244       2.02663   0.00198   0.03209  -0.00356   0.02511   2.05174
   A245       1.71875   0.00276   0.01858   0.00841   0.01839   1.73714
   A246       2.17512   0.00422   0.01323   0.02483   0.03651   2.21163
   A247       2.06524   0.00133  -0.00449   0.01005   0.00555   2.07080
   A248       1.87440   0.00009  -0.00954  -0.00668  -0.01514   1.85926
   A249       1.91429  -0.00102  -0.00055  -0.01155  -0.01186   1.90243
   A250       1.90381  -0.00111  -0.00041   0.00240   0.00063   1.90444
   A251       1.91548   0.00135   0.00706   0.01913   0.02549   1.94098
   A252       1.94073   0.00116   0.01012   0.00406   0.01449   1.95522
   A253       1.91461  -0.00050  -0.00678  -0.00765  -0.01425   1.90036
   A254       1.91012  -0.00095  -0.00928  -0.00262  -0.01193   1.89819
   A255       1.94357  -0.00001   0.00135  -0.00013   0.00120   1.94477
   A256       1.94310  -0.00032   0.00150  -0.00322  -0.00175   1.94135
   A257       1.88978   0.00038   0.00239   0.00074   0.00312   1.89289
   A258       1.88993   0.00042   0.00261  -0.00010   0.00246   1.89240
   A259       1.88576   0.00053   0.00171   0.00551   0.00721   1.89297
   A260       1.87931   0.00034  -0.00325   0.00385   0.00063   1.87995
   A261       1.91013  -0.00034  -0.00235  -0.00187  -0.00423   1.90590
   A262       1.91618  -0.00120  -0.00324  -0.01124  -0.01449   1.90169
   A263       1.93572   0.00034   0.00623   0.00115   0.00732   1.94304
   A264       1.93756   0.00129   0.00974   0.00625   0.01595   1.95351
   A265       1.88501  -0.00047  -0.00715   0.00152  -0.00584   1.87917
   A266       1.93878  -0.00049  -0.00110  -0.00322  -0.00434   1.93444
   A267       1.91690  -0.00031  -0.00592   0.00137  -0.00457   1.91233
   A268       1.93876  -0.00039  -0.00021  -0.00285  -0.00307   1.93569
   A269       1.89045   0.00035   0.00266   0.00078   0.00342   1.89387
   A270       1.88721   0.00054   0.00218   0.00327   0.00544   1.89265
   A271       1.89030   0.00034   0.00272   0.00085   0.00356   1.89386
   A272       1.84424   0.00121   0.00936   0.00938   0.01884   1.86308
   A273       1.74893  -0.00046  -0.00264  -0.00074  -0.00390   1.74503
   A274       1.55200  -0.00206  -0.00591  -0.00070  -0.00870   1.54330
   A275       1.77110  -0.00196  -0.00737  -0.00652  -0.01545   1.75565
   A276       1.09608  -0.00157  -0.00472   0.00118  -0.00351   1.09257
   A277       1.34499  -0.00160  -0.01124  -0.00198  -0.01277   1.33222
   A278       0.58905  -0.00019  -0.00177   0.00409   0.00236   0.59142
    D1       -0.00615   0.00041   0.00365   0.00764   0.01120   0.00506
    D2       -3.12506  -0.00007  -0.00012  -0.00206  -0.00230  -3.12736
    D3        3.11833   0.00057   0.00519   0.01069   0.01583   3.13416
    D4       -0.00057   0.00009   0.00142   0.00098   0.00232   0.00175
    D5        0.02212  -0.00035  -0.00280  -0.00665  -0.00943   0.01268
    D6        3.13609  -0.00003   0.00081  -0.00202  -0.00127   3.13482
    D7       -3.10241  -0.00051  -0.00433  -0.00964  -0.01401  -3.11642
    D8        0.01155  -0.00019  -0.00071  -0.00500  -0.00585   0.00571
    D9        3.05863  -0.00120  -0.00725  -0.02742  -0.03460   3.02402
   D10       -0.09265  -0.00099  -0.00571  -0.02314  -0.02887  -0.12152
   D11       -0.10101  -0.00100  -0.00529  -0.02427  -0.02954  -0.13056
   D12        3.03090  -0.00079  -0.00375  -0.01999  -0.02381   3.00709
   D13       -0.01981  -0.00006  -0.00096  -0.00099  -0.00187  -0.02167
   D14       -3.09125   0.00039   0.00426   0.00738   0.01149  -3.07977
   D15        3.09902   0.00043   0.00301   0.00869   0.01173   3.11075
   D16        0.02758   0.00088   0.00823   0.01706   0.02508   0.05265
   D17        0.03006  -0.00037  -0.00246  -0.00692  -0.00935   0.02070
   D18       -3.12927  -0.00013  -0.00110  -0.00320  -0.00413  -3.13340
   D19        3.10443  -0.00083  -0.00795  -0.01483  -0.02264   3.08179
   D20       -0.05489  -0.00059  -0.00658  -0.01111  -0.01742  -0.07231
   D21        3.03387   0.00052   0.00261   0.01183   0.01462   3.04849
   D22       -0.10265   0.00153   0.01330   0.03169   0.04471  -0.05794
   D23       -0.03734   0.00096   0.00782   0.02021   0.02796  -0.00938
   D24        3.10932   0.00197   0.01851   0.04007   0.05805  -3.11581
   D25       -0.01513   0.00044   0.00354   0.00789   0.01136  -0.00377
   D26        3.12598   0.00013   0.00039   0.00234   0.00287   3.12885
   D27       -3.13908   0.00018   0.00205   0.00414   0.00606  -3.13303
   D28        0.00203  -0.00013  -0.00110  -0.00141  -0.00244  -0.00041
   D29        0.00544  -0.00107  -0.00886  -0.02386  -0.03233  -0.02689
   D30        3.11300  -0.00105  -0.00518  -0.01557  -0.02102   3.09198
   D31        3.12903  -0.00081  -0.00720  -0.02009  -0.02687   3.10216
   D32       -0.04659  -0.00078  -0.00353  -0.01180  -0.01555  -0.06215
   D33       -0.01182  -0.00007  -0.00054  -0.00099  -0.00157  -0.01340
   D34       -3.12696  -0.00031  -0.00352  -0.00521  -0.00894  -3.13590
   D35        3.13025   0.00025   0.00247   0.00452   0.00718   3.13743
   D36        0.01511  -0.00000  -0.00050   0.00030  -0.00019   0.01492
   D37        0.18162   0.00022   0.00403   0.00625   0.00987   0.19149
   D38       -2.87410   0.00023   0.00665   0.00220   0.00835  -2.86575
   D39       -2.96489  -0.00076  -0.00621  -0.01296  -0.01938  -2.98427
   D40        0.26258  -0.00075  -0.00359  -0.01701  -0.02090   0.24168
   D41        3.02568  -0.00092  -0.01218  -0.01876  -0.03047   2.99521
   D42       -0.11520  -0.00014  -0.00305  -0.00492  -0.00775  -0.12295
   D43       -0.11095   0.00007  -0.00175   0.00065  -0.00104  -0.11199
   D44        3.03135   0.00085   0.00739   0.01449   0.02168   3.05304
   D45       -0.22660  -0.00213  -0.02002  -0.04141  -0.06182  -0.28842
   D46        2.92847   0.00033   0.00150   0.00855   0.00991   2.93838
   D47        1.37300  -0.00458  -0.02967  -0.07556  -0.10605   1.26695
   D48        2.82274  -0.00195  -0.02303  -0.03588  -0.05925   2.76349
   D49       -0.30538   0.00051  -0.00151   0.01408   0.01247  -0.29290
   D50       -1.86084  -0.00440  -0.03268  -0.07003  -0.10349  -1.96433
   D51       -0.22123   0.00123   0.00934   0.02303   0.03251  -0.18872
   D52        2.85854   0.00063  -0.00127   0.01867   0.01775   2.87629
   D53        3.00896   0.00120   0.01330   0.01809   0.03156   3.04051
   D54       -0.19446   0.00060   0.00269   0.01373   0.01680  -0.17766
   D55        0.13442   0.00249   0.02313   0.04939   0.07300   0.20742
   D56       -2.97079   0.00246   0.01994   0.03990   0.06089  -2.90991
   D57       -3.01954   0.00021   0.00342   0.00333   0.00554  -3.01400
   D58        0.15843   0.00019   0.00023  -0.00616  -0.00658   0.15185
   D59       -1.68633   0.00334   0.01919   0.06482   0.08431  -1.60201
   D60        1.49165   0.00331   0.01599   0.05533   0.07220   1.56384
   D61        2.91601  -0.00317  -0.02215  -0.05247  -0.07413   2.84188
   D62       -0.42425  -0.00434  -0.03895  -0.09809  -0.13445  -0.55870
   D63       -0.21224  -0.00075  -0.00063  -0.00293  -0.00341  -0.21565
   D64        2.73069  -0.00192  -0.01743  -0.04855  -0.06374   2.66695
   D65        2.31386  -0.00116   0.01589  -0.00631   0.01156   2.32542
   D66        1.76362  -0.00080   0.01761  -0.01285   0.00700   1.77062
   D67       -1.91842   0.00016   0.02546  -0.01213   0.01453  -1.90388
   D68       -2.46866   0.00052   0.02718  -0.01866   0.00997  -2.45869
   D69        3.13827   0.00104   0.00097   0.00863   0.01028  -3.13464
   D70       -0.03839   0.00100   0.00410   0.01726   0.02162  -0.01677
   D71       -0.09790   0.00067   0.00432   0.01231   0.01663  -0.08127
   D72        3.07767   0.00079   0.00773   0.01317   0.02094   3.09861
   D73        3.04298  -0.00011  -0.00472  -0.00154  -0.00627   3.03672
   D74       -0.06463   0.00000  -0.00131  -0.00068  -0.00195  -0.06659
   D75        0.14825  -0.00026  -0.00039  -0.00626  -0.00664   0.14160
   D76       -3.01611  -0.00011   0.00205  -0.00483  -0.00271  -3.01883
   D77       -3.02731  -0.00040  -0.00383  -0.00719  -0.01106  -3.03838
   D78        0.09151  -0.00025  -0.00139  -0.00575  -0.00713   0.08438
   D79        3.08446  -0.00081  -0.00670  -0.01746  -0.02405   3.06042
   D80       -0.08786  -0.00045  -0.00310  -0.01141  -0.01452  -0.10238
   D81       -0.02096  -0.00073  -0.00350  -0.01651  -0.02000  -0.04097
   D82        3.08990  -0.00037   0.00010  -0.01045  -0.01048   3.07942
   D83        0.01213  -0.00077  -0.00552  -0.01250  -0.01804  -0.00591
   D84       -3.06964  -0.00002   0.00529  -0.00743  -0.00168  -3.07132
   D85       -3.10770  -0.00086  -0.00748  -0.01373  -0.02142  -3.12911
   D86        0.09371  -0.00011   0.00334  -0.00867  -0.00506   0.08866
   D87        0.15807   0.00046  -0.00089   0.00014  -0.00071   0.15736
   D88       -2.91792   0.00066  -0.00330   0.01624   0.01275  -2.90517
   D89       -2.79809   0.00228   0.01522   0.04944   0.06554  -2.73255
   D90        0.40910   0.00248   0.01282   0.06555   0.07900   0.48810
   D91       -1.15809   0.00397   0.02024   0.05993   0.08074  -1.07735
   D92        2.04910   0.00417   0.01784   0.07604   0.09420   2.14331
   D93       -0.28702   0.00426   0.04341   0.09086   0.13361  -0.15341
   D94       -2.58502   0.00206   0.00873   0.08967   0.09964  -2.48538
   D95        1.90067   0.00302   0.03543   0.08819   0.12089   2.02156
   D96        2.66103   0.00266   0.02653   0.04283   0.06916   2.73019
   D97        0.36303   0.00046  -0.00815   0.04165   0.03520   0.39822
   D98       -1.43446   0.00142   0.01855   0.04017   0.05645  -1.37802
   D99        0.92061   0.00081   0.02009   0.00811   0.02972   0.95033
   D100      -1.37739  -0.00139  -0.01459   0.00693  -0.00425  -1.38164
   D101       3.10830  -0.00043   0.01210   0.00545   0.01700   3.12531
   D102      -0.91221  -0.00087   0.01772  -0.02342  -0.00723  -0.91943
   D103      -1.48363  -0.00100   0.01490  -0.02988  -0.01621  -1.49983
   D104       1.12592   0.00307   0.02116   0.00771   0.02714   1.15305
   D105       0.55450   0.00293   0.01834   0.00125   0.01816   0.57265
   D106      -0.03489   0.00050   0.00508   0.00904   0.01407  -0.02082
   D107       3.10248   0.00046   0.00493   0.01297   0.01774   3.12022
   D108       3.04547   0.00040   0.00633  -0.00509   0.00146   3.04693
   D109      -0.10034   0.00036   0.00618  -0.00116   0.00512  -0.09522
   D110      -3.11122  -0.00088  -0.00644  -0.01838  -0.02480  -3.13602
   D111       0.05399  -0.00039  -0.00422  -0.00823  -0.01248   0.04151
   D112       0.09489  -0.00058  -0.00797  -0.00274  -0.01078   0.08411
   D113      -3.02309  -0.00009  -0.00575   0.00741   0.00155  -3.02154
   D114      -0.02465  -0.00121  -0.00697  -0.01766  -0.02471  -0.04936
   D115       3.12107  -0.00118  -0.00683  -0.02152  -0.02830   3.09277
   D116       0.02384   0.00024   0.00055   0.00727   0.00775   0.03159
   D117      -3.12407  -0.00015  -0.00230  -0.00217  -0.00446  -3.12853
   D118      -3.12183   0.00022   0.00046   0.01107   0.01129  -3.11053
   D119       0.01345  -0.00018  -0.00239   0.00163  -0.00091   0.01254
   D120      -0.01281   0.00020   0.00241   0.00126   0.00373  -0.00908
   D121       3.12011   0.00066   0.00664   0.00945   0.01633   3.13644
   D122       3.10609  -0.00031   0.00007  -0.00863  -0.00872   3.09737
   D123      -0.04417   0.00015   0.00430  -0.00044   0.00388  -0.04029
   D124      -0.06428   0.00038   0.00489   0.00394   0.00882  -0.05546
   D125       3.08787   0.00055   0.00519   0.00935   0.01450   3.10237
   D126       3.08638  -0.00011   0.00026  -0.00468  -0.00427   3.08210
   D127      -0.04467   0.00005   0.00057   0.00073   0.00141  -0.04325
   D128       0.05778  -0.00056  -0.00636  -0.00802  -0.01440   0.04338
   D129      -3.07705  -0.00013  -0.00331   0.00209  -0.00129  -3.07834
   D130      -3.09441  -0.00072  -0.00667  -0.01345  -0.02011  -3.11452
   D131       0.05395  -0.00030  -0.00362  -0.00334  -0.00701   0.04694
   D132       0.07279   0.00097   0.00644   0.02077   0.02718   0.09997
   D133      -3.04747   0.00062   0.00332   0.01455   0.01799  -3.02948
   D134      -3.05754   0.00113   0.00661   0.02660   0.03310  -3.02444
   D135       0.10539   0.00079   0.00350   0.02038   0.02390   0.12929
   D136       3.12007   0.00042   0.00399   0.00795   0.01196   3.13203
   D137      -0.05647   0.00035   0.00460   0.00497   0.00965  -0.04682
   D138      -0.01255   0.00025   0.00273   0.00399   0.00671  -0.00584
   D139       3.09409   0.00017   0.00334   0.00101   0.00440   3.09849
   D140      -3.12432  -0.00034  -0.00293  -0.00610  -0.00895  -3.13327
   D141      -0.02983   0.00007   0.00227  -0.00089   0.00134  -0.02849
   D142       0.00821  -0.00015  -0.00168  -0.00204  -0.00363   0.00458
   D143       3.10270   0.00026   0.00352   0.00316   0.00666   3.10936
   D144       3.10101   0.00068   0.00663   0.01267   0.01933   3.12034
   D145      -0.05851   0.00053   0.00584   0.00903   0.01498  -0.04352
   D146      -0.01203   0.00040   0.00377   0.00706   0.01079  -0.00124
   D147       3.11164   0.00024   0.00299   0.00343   0.00645   3.11809
   D148      -3.10644  -0.00062  -0.00562  -0.01089  -0.01644  -3.12289
   D149      -0.01639  -0.00015   0.00029  -0.00489  -0.00465  -0.02104
   D150       0.00635  -0.00031  -0.00280  -0.00507  -0.00775  -0.00140
   D151       3.09640   0.00016   0.00311   0.00094   0.00405   3.10045
   D152      -3.11292  -0.00057  -0.00541  -0.01065  -0.01609  -3.12901
   D153       0.05710  -0.00044  -0.00525  -0.00707  -0.01242   0.04467
   D154       0.00871  -0.00028  -0.00289  -0.00483  -0.00768   0.00104
   D155      -3.10445  -0.00016  -0.00273  -0.00125  -0.00401  -3.10846
   D156       3.11627   0.00052   0.00466   0.00916   0.01375   3.13002
   D157       0.02642   0.00004  -0.00127   0.00276   0.00154   0.02797
   D158      -0.00539   0.00021   0.00214   0.00326   0.00530  -0.00009
   D159      -3.09524  -0.00027  -0.00380  -0.00314  -0.00691  -3.10215
   D160       0.00464  -0.00014  -0.00144  -0.00292  -0.00438   0.00026
   D161       3.06027  -0.00000   0.00346  -0.00213   0.00144   3.06171
   D162      -3.11981   0.00004  -0.00051   0.00068   0.00018  -3.11964
   D163      -0.06419   0.00018   0.00439   0.00147   0.00600  -0.05818
   D164       0.00869  -0.00021  -0.00201  -0.00348  -0.00543   0.00326
   D165      -3.12990  -0.00025  -0.00225  -0.00435  -0.00655  -3.13645
   D166      -3.04402  -0.00057  -0.00840  -0.00520  -0.01347  -3.05749
   D167       0.10058  -0.00061  -0.00864  -0.00607  -0.01459   0.08599
   D168      -0.01427   0.00031   0.00304   0.00544   0.00844  -0.00583
   D169      -3.04570  -0.00048  -0.00767  -0.00299  -0.01046  -3.05617
   D170       3.12431   0.00035   0.00327   0.00631   0.00956   3.13388
   D171       0.09288  -0.00044  -0.00744  -0.00212  -0.00934   0.08354
   D172       0.49394   0.00562   0.02581   0.12387   0.14968   0.64362
   D173      -2.65769   0.00570   0.02664   0.12527   0.15188  -2.50581
   D174      -2.64448   0.00557   0.02547   0.12295   0.14845  -2.49603
   D175       0.48708   0.00565   0.02630   0.12435   0.15065   0.63773
   D176       0.00690  -0.00006  -0.00076  -0.00111  -0.00188   0.00503
   D177      -3.08556  -0.00040  -0.00575  -0.00639  -0.01232  -3.09789
   D178       3.04205   0.00044   0.00791   0.00595   0.01416   3.05621
   D179      -0.05042   0.00010   0.00292   0.00067   0.00371  -0.04671
   D180       0.00578  -0.00014  -0.00154  -0.00267  -0.00422   0.00156
   D181       3.05443   0.00006   0.00423  -0.00108   0.00330   3.05773
   D182      -3.10241  -0.00001  -0.00172   0.00041  -0.00131  -3.10372
   D183      -0.05376   0.00019   0.00406   0.00200   0.00620  -0.04755
   D184       0.00584  -0.00007  -0.00095  -0.00078  -0.00167   0.00417
   D185      -3.13483  -0.00011  -0.00078  -0.00213  -0.00287  -3.13770
   D186      -3.03956  -0.00051  -0.00835  -0.00340  -0.01159  -3.05115
   D187       0.10296  -0.00055  -0.00818  -0.00475  -0.01279   0.09017
   D188      -0.01011   0.00017   0.00204   0.00269   0.00471  -0.00540
   D189      -3.04678  -0.00057  -0.00803  -0.00534  -0.01319  -3.05997
   D190       3.13056   0.00021   0.00187   0.00405   0.00591   3.13647
   D191       0.09389  -0.00053  -0.00820  -0.00398  -0.01199   0.08190
   D192      -2.65449   0.00580   0.02704   0.12755   0.15458  -2.49991
   D193       0.49105   0.00578   0.02659   0.12749   0.15408   0.64513
   D194       0.48808   0.00576   0.02720   0.12612   0.15332   0.64140
   D195      -2.64957   0.00574   0.02674   0.12607   0.15282  -2.49674
   D196       0.00306  -0.00006  -0.00079  -0.00127  -0.00208   0.00098
   D197      -3.09369  -0.00036  -0.00514  -0.00581  -0.01113  -3.10482
   D198       3.04328   0.00041   0.00741   0.00543   0.01312   3.05639
   D199      -0.05347   0.00011   0.00306   0.00089   0.00407  -0.04940
   D200      -0.00313   0.00011   0.00115   0.00229   0.00345   0.00032
   D201      -3.05590  -0.00004  -0.00400   0.00149  -0.00265  -3.05854
   D202       3.11130  -0.00006   0.00073  -0.00132  -0.00058   3.11072
   D203       0.05854  -0.00021  -0.00442  -0.00212  -0.00668   0.05186
   D204      -0.00598   0.00014   0.00147   0.00201   0.00341  -0.00257
   D205       3.13281   0.00020   0.00164   0.00362   0.00522   3.13802
   D206       3.04369   0.00052   0.00819   0.00378   0.01183   3.05552
   D207      -0.10071   0.00058   0.00836   0.00539   0.01363  -0.08708
   D208       0.00925  -0.00021  -0.00225  -0.00355  -0.00576   0.00349
   D209       3.04330   0.00055   0.00819   0.00470   0.01271   3.05601
   D210      -3.12953  -0.00027  -0.00241  -0.00517  -0.00757  -3.13710
   D211      -0.09548   0.00049   0.00803   0.00308   0.01090  -0.08458
   D212       2.65732  -0.00578  -0.02686  -0.12721  -0.15405   2.50327
   D213      -0.49061  -0.00572  -0.02616  -0.12623  -0.15239  -0.64299
   D214      -0.48724  -0.00571  -0.02660  -0.12552  -0.15212  -0.63936
   D215       2.64802  -0.00565  -0.02590  -0.12453  -0.15045   2.49757
   D216      -0.00362   0.00004   0.00051   0.00089   0.00142  -0.00221
   D217       3.08843   0.00040   0.00557   0.00658   0.01234   3.10077
   D218      -3.04135  -0.00045  -0.00796  -0.00601  -0.01427  -3.05562
   D219       0.05070  -0.00009  -0.00291  -0.00032  -0.00334   0.04736
   D220      -3.13505  -0.00011  -0.00102  -0.00112  -0.00214  -3.13719
   D221       0.10177  -0.00015  -0.00422   0.00370  -0.00058   0.10119
   D222       0.00318  -0.00009  -0.00065  -0.00104  -0.00170   0.00147
   D223      -3.04319  -0.00013  -0.00385   0.00378  -0.00014  -3.04333
   D224       3.14148  -0.00008  -0.00093  -0.00045  -0.00140   3.14008
   D225       0.09794  -0.00018  -0.00488   0.00324  -0.00166   0.09628
   D226       0.00325  -0.00010  -0.00130  -0.00052  -0.00183   0.00142
   D227      -3.04029  -0.00020  -0.00525   0.00316  -0.00209  -3.04238
   D228       3.13720  -0.00000  -0.00030   0.00085   0.00053   3.13773
   D229       0.09461  -0.00010  -0.00421   0.00469   0.00045   0.09506
   D230       0.00416  -0.00008  -0.00097  -0.00040  -0.00137   0.00279
   D231      -3.03843  -0.00018  -0.00488   0.00343  -0.00145  -3.03988
   D232      -3.13086  -0.00019  -0.00172  -0.00251  -0.00423  -3.13509
   D233       0.10651  -0.00020  -0.00474   0.00270  -0.00211   0.10440
   D234       0.00217  -0.00011  -0.00105  -0.00125  -0.00232  -0.00015
   D235      -3.04365  -0.00012  -0.00408   0.00397  -0.00019  -3.04384
   D236       3.13352   0.00016   0.00147   0.00219   0.00367   3.13719
   D237      -0.10312   0.00019   0.00464  -0.00281   0.00189  -0.10123
   D238      -0.00267   0.00011   0.00090   0.00130   0.00222  -0.00044
   D239       3.04388   0.00013   0.00407  -0.00370   0.00044   3.04432
   D240      -3.14019   0.00003   0.00059  -0.00046   0.00014  -3.14005
   D241      -0.09753   0.00015   0.00469  -0.00388   0.00082  -0.09671
   D242      -0.00400   0.00009   0.00116   0.00041   0.00157  -0.00242
   D243       3.03866   0.00021   0.00526  -0.00300   0.00226   3.04092
   D244      -0.00868   0.00023   0.00257   0.00183   0.00441  -0.00427
   D245      -3.13673   0.00029   0.00236   0.00398   0.00631  -3.13042
   D246       3.04783  -0.00002   0.00324  -0.00173   0.00159   3.04942
   D247      -0.08021   0.00004   0.00304   0.00042   0.00349  -0.07673
   D248       3.11182  -0.00019  -0.00173  -0.00593  -0.00768   3.10414
   D249       0.02210  -0.00062  -0.00718  -0.01007  -0.01715   0.00495
   D250       0.07791  -0.00017  -0.00434  -0.00210  -0.00644   0.07147
   D251      -3.01181  -0.00060  -0.00978  -0.00624  -0.01590  -3.02771
   D252       0.00988  -0.00029  -0.00310  -0.00260  -0.00576   0.00412
   D253       3.14147  -0.00045  -0.00379  -0.00633  -0.01022   3.13126
   D254       3.13591  -0.00039  -0.00316  -0.00510  -0.00831   3.12760
   D255      -0.01568  -0.00056  -0.00385  -0.00883  -0.01277  -0.02845
   D256       0.02714   0.00001  -0.00113   0.00065  -0.00041   0.02673
   D257      -3.13088   0.00003   0.00003   0.00061   0.00067  -3.13021
   D258      -3.09709   0.00011  -0.00122   0.00343   0.00225  -3.09483
   D259       0.02808   0.00013  -0.00006   0.00339   0.00333   0.03141
   D260      -0.00746   0.00025   0.00262   0.00236   0.00500  -0.00246
   D261       3.05178  -0.00007   0.00271  -0.00241   0.00034   3.05212
   D262      -3.14036   0.00037   0.00307   0.00558   0.00863  -3.13173
   D263      -0.08112   0.00006   0.00316   0.00081   0.00397  -0.07715
   D264      -3.10389   0.00020  -0.00015   0.00508   0.00502  -3.09887
   D265       0.02455   0.00016   0.00024   0.00395   0.00423   0.02878
   D266       0.02655   0.00003  -0.00083   0.00092   0.00019   0.02674
   D267      -3.12820  -0.00001  -0.00044  -0.00020  -0.00060  -3.12880
   D268       3.11683  -0.00032  -0.00295  -0.00803  -0.01096   3.10587
   D269       0.02476  -0.00071  -0.00793  -0.01200  -0.01982   0.00494
   D270       0.07940  -0.00021  -0.00469  -0.00269  -0.00735   0.07205
   D271      -3.01267  -0.00060  -0.00967  -0.00666  -0.01621  -3.02888
   D272      -0.00818   0.00023   0.00230   0.00214   0.00447  -0.00371
   D273      -3.13978   0.00034   0.00269   0.00512   0.00778  -3.13200
   D274       3.05163  -0.00007   0.00255  -0.00235   0.00025   3.05189
   D275      -0.07997   0.00004   0.00294   0.00063   0.00356  -0.07640
   D276       3.11564  -0.00026  -0.00240  -0.00726  -0.00964   3.10600
   D277       0.02410  -0.00064  -0.00718  -0.01077  -0.01785   0.00624
   D278       0.07754  -0.00018  -0.00432  -0.00233  -0.00663   0.07091
   D279      -3.01400  -0.00056  -0.00910  -0.00585  -0.01484  -3.02884
   D280       0.01002  -0.00028  -0.00299  -0.00246  -0.00551   0.00452
   D281       3.13800  -0.00039  -0.00310  -0.00518  -0.00833   3.12968
   D282       3.14013  -0.00044  -0.00363  -0.00592  -0.00964   3.13049
   D283      -0.01507  -0.00055  -0.00374  -0.00863  -0.01246  -0.02753
   D284       0.02673   0.00003  -0.00087   0.00081   0.00004   0.02676
   D285      -3.12860  -0.00002  -0.00048  -0.00032  -0.00076  -3.12935
   D286      -3.10205   0.00019  -0.00026   0.00466   0.00449  -3.09756
   D287       0.02582   0.00014   0.00013   0.00353   0.00369   0.02951
   D288      -0.00822   0.00023   0.00270   0.00183   0.00455  -0.00368
   D289       3.04911  -0.00000   0.00345  -0.00157   0.00196   3.05107
   D290      -3.13797   0.00030   0.00258   0.00416   0.00671  -3.13126
   D291      -0.08063   0.00007   0.00332   0.00076   0.00412  -0.07651
   D292      -3.10008   0.00014  -0.00093   0.00403   0.00316  -3.09693
   D293       0.02701   0.00013  -0.00008   0.00352   0.00345   0.03047
   D294       0.02631   0.00003  -0.00091   0.00101   0.00017   0.02649
   D295      -3.12978   0.00003  -0.00006   0.00050   0.00047  -3.12930
   D296       3.11371  -0.00022  -0.00206  -0.00626  -0.00835   3.10537
   D297       0.02242  -0.00067  -0.00767  -0.01092  -0.01848   0.00394
   D298       0.07871  -0.00021  -0.00472  -0.00260  -0.00733   0.07138
   D299      -3.01258  -0.00066  -0.01032  -0.00727  -0.01746  -3.03004
   D300       0.00809  -0.00025  -0.00256  -0.00246  -0.00504   0.00305
   D301       3.13989  -0.00035  -0.00283  -0.00531  -0.00811   3.13178
   D302      -3.05184   0.00006  -0.00277   0.00216  -0.00066  -3.05251
   D303       0.07995  -0.00005  -0.00303  -0.00069  -0.00373   0.07622
   D304      -3.11609   0.00027   0.00246   0.00745   0.00991  -3.10618
   D305      -0.02382   0.00069   0.00774   0.01175   0.01937  -0.00445
   D306      -0.07783   0.00018   0.00436   0.00234   0.00668  -0.07115
   D307       3.01443   0.00060   0.00964   0.00663   0.01615   3.03058
   D308      -0.01039   0.00029   0.00316   0.00270   0.00592  -0.00448
   D309      -3.13774   0.00040   0.00324   0.00533   0.00862  -3.12912
   D310      -3.14073   0.00044   0.00366   0.00601   0.00976  -3.13097
   D311       0.01511   0.00055   0.00374   0.00863   0.01245   0.02756
   D312      -0.02679  -0.00002   0.00104  -0.00064   0.00032  -0.02648
   D313       3.12847   0.00000   0.00029   0.00002   0.00028   3.12875
   D314       3.10223  -0.00016   0.00059  -0.00432  -0.00381   3.09842
   D315      -0.02569  -0.00015  -0.00016  -0.00366  -0.00385  -0.02954
   D316       0.00891  -0.00023  -0.00272  -0.00190  -0.00464   0.00427
   D317      -3.04768  -0.00001  -0.00356   0.00126  -0.00240  -3.05008
   D318       3.13810  -0.00030  -0.00256  -0.00416  -0.00669   3.13141
   D319       0.08151  -0.00008  -0.00341  -0.00100  -0.00445   0.07706
   D320       3.09929  -0.00013   0.00094  -0.00392  -0.00303   3.09626
   D321      -0.02660  -0.00014   0.00000  -0.00360  -0.00360  -0.03020
   D322      -0.02640  -0.00003   0.00089  -0.00101  -0.00019  -0.02659
   D323       3.13090  -0.00004  -0.00004  -0.00069  -0.00076   3.13014
   D324      -3.11408   0.00023   0.00216   0.00644   0.00863  -3.10544
   D325      -0.02408   0.00066   0.00760   0.01076   0.01825  -0.00583
   D326      -0.08005   0.00023   0.00498   0.00309   0.00807  -0.07198
   D327       3.00994   0.00066   0.01041   0.00740   0.01769   3.02764
   D328       0.02772  -0.00010  -0.00168  -0.00042  -0.00211   0.02561
   D329       3.13537   0.00023   0.00303   0.00367   0.00668  -3.14113
   D330      -3.10071  -0.00005  -0.00197   0.00070  -0.00122  -3.10193
   D331       0.00694   0.00029   0.00274   0.00480   0.00757   0.01451
   D332      -0.02826  -0.00007   0.00019  -0.00164  -0.00151  -0.02977
   D333       3.08996   0.00037   0.00525   0.00421   0.00945   3.09942
   D334      -3.13593  -0.00041  -0.00455  -0.00578  -0.01036   3.13690
   D335      -0.01771   0.00003   0.00052   0.00006   0.00061  -0.01710
   D336      -0.02627   0.00031   0.00382   0.00319   0.00691  -0.01936
   D337       3.06806   0.00057   0.00761   0.00663   0.01435   3.08241
   D338       3.13850  -0.00013  -0.00135  -0.00254  -0.00398   3.13452
   D339      -0.05036   0.00014   0.00244   0.00091   0.00346  -0.04690
   D340      -0.02568   0.00030   0.00366   0.00306   0.00664  -0.01904
   D341       3.14132  -0.00017  -0.00184  -0.00317  -0.00509   3.13623
   D342       3.06647   0.00058   0.00781   0.00665   0.01457   3.08104
   D343      -0.04972   0.00011   0.00231   0.00042   0.00285  -0.04687
   D344      -0.02736  -0.00010  -0.00007  -0.00219  -0.00231  -0.02967
   D345      -3.13317  -0.00045  -0.00494  -0.00654  -0.01150   3.13851
   D346       3.08861   0.00037   0.00530   0.00417   0.00949   3.09810
   D347      -0.01721   0.00002   0.00044  -0.00017   0.00030  -0.01691
   D348       0.02625  -0.00006  -0.00121   0.00032  -0.00090   0.02535
   D349      -3.09891  -0.00007  -0.00224   0.00036  -0.00186  -3.10077
   D350       3.13204   0.00029   0.00364   0.00461   0.00824   3.14028
   D351       0.00688   0.00028   0.00261   0.00465   0.00728   0.01416
   D352       0.02795  -0.00011  -0.00183  -0.00056  -0.00240   0.02555
   D353       3.13510   0.00025   0.00323   0.00393   0.00715  -3.14093
   D354      -3.09914  -0.00010  -0.00257  -0.00005  -0.00260  -3.10174
   D355       0.00801   0.00027   0.00250   0.00444   0.00696   0.01497
   D356      -0.02870  -0.00005   0.00046  -0.00146  -0.00105  -0.02975
   D357       3.08919   0.00041   0.00569   0.00477   0.01046   3.09965
   D358      -3.13588  -0.00042  -0.00462  -0.00600  -0.01065   3.13665
   D359      -0.01799   0.00004   0.00061   0.00023   0.00086  -0.01713
   D360      -0.02562   0.00029   0.00365   0.00303   0.00659  -0.01904
   D361       3.06801   0.00060   0.00795   0.00711   0.01519   3.08319
   D362       3.13946  -0.00016  -0.00168  -0.00307  -0.00484   3.13462
   D363      -0.05010   0.00014   0.00262   0.00101   0.00376  -0.04634
   D364      -0.02499   0.00029   0.00358   0.00295   0.00643  -0.01855
   D365       3.13950  -0.00011  -0.00120  -0.00214  -0.00343   3.13607
   D366       3.06886   0.00053   0.00715   0.00592   0.01317   3.08203
   D367      -0.04984   0.00013   0.00238   0.00083   0.00331  -0.04653
   D368      -0.02827  -0.00007   0.00014  -0.00166  -0.00158  -0.02985
   D369      -3.13595  -0.00039  -0.00428  -0.00542  -0.00972   3.13752
   D370       3.09022   0.00033   0.00482   0.00355   0.00836   3.09858
   D371      -0.01746   0.00002   0.00040  -0.00021   0.00022  -0.01724
   D372       0.02700  -0.00009  -0.00151  -0.00022  -0.00174   0.02526
   D373      -3.10085  -0.00003  -0.00180   0.00090  -0.00085  -3.10170
   D374       3.13466   0.00022   0.00289   0.00348   0.00634   3.14101
   D375       0.00681   0.00028   0.00260   0.00460   0.00723   0.01404
   D376      -0.02817   0.00011   0.00181   0.00052   0.00234  -0.02583
   D377      -3.13332  -0.00027  -0.00346  -0.00429  -0.00774  -3.14105
   D378       3.09771   0.00010   0.00262   0.00021   0.00280   3.10052
   D379      -0.00744  -0.00028  -0.00265  -0.00461  -0.00727  -0.01471
   D380       0.02843   0.00007  -0.00026   0.00177   0.00155   0.02998
   D381      -3.08758  -0.00042  -0.00576  -0.00485  -0.01061  -3.09819
   D382       3.13361   0.00046   0.00502   0.00663   0.01168  -3.13790
   D383       0.01760  -0.00003  -0.00048   0.00002  -0.00049   0.01711
   D384       0.02668  -0.00033  -0.00398  -0.00356  -0.00744   0.01924
   D385      -3.06572  -0.00061  -0.00811  -0.00730  -0.01551  -3.08124
   D386      -3.14028   0.00015   0.00164   0.00292   0.00465  -3.13563
   D387       0.05051  -0.00013  -0.00249  -0.00082  -0.00343   0.04708
   D388       0.02568  -0.00029  -0.00364  -0.00300  -0.00654   0.01914
   D389      -3.13975   0.00017   0.00185   0.00322   0.00516  -3.13459
   D390      -3.06887  -0.00058  -0.00769  -0.00673  -0.01454  -3.08341
   D391       0.04888  -0.00011  -0.00220  -0.00051  -0.00284   0.04604
   D392       0.02746   0.00008  -0.00001   0.00184   0.00188   0.02935
   D393       3.13483   0.00044   0.00483   0.00628   0.01113  -3.13722
   D394      -3.09008  -0.00039  -0.00538  -0.00451  -0.00989  -3.09998
   D395       0.01729  -0.00003  -0.00054  -0.00007  -0.00065   0.01664
   D396      -0.02652   0.00007   0.00132  -0.00001   0.00131  -0.02521
   D397       3.10139   0.00005   0.00196  -0.00067   0.00125   3.10264
   D398      -3.13387  -0.00028  -0.00350  -0.00440  -0.00788   3.14143
   D399      -0.00595  -0.00030  -0.00286  -0.00506  -0.00794  -0.01390
   D400       1.12606   0.00366   0.04256   0.04407   0.08645   1.21252
   D401      -1.20637   0.00434   0.03335   0.05123   0.08797  -1.11840
   D402       2.93030  -0.00240  -0.03219   0.04078   0.00623   2.93653
   D403      -2.67349  -0.00424  -0.02860  -0.06682  -0.09414  -2.76764
   D404      -0.47982  -0.00685  -0.05613  -0.06553  -0.12305  -0.60287
   D405       1.62226   0.00335   0.03100  -0.03578  -0.00467   1.61759
   D406       3.08913  -0.00345  -0.03231  -0.03971  -0.07272   3.01641
   D407      -1.11332  -0.00235  -0.02973  -0.02711  -0.05755  -1.17087
   D408       0.98399  -0.00426  -0.03864  -0.04202  -0.08157   0.90242
   D409      -3.13738  -0.00010  -0.00043  -0.00933  -0.00976   3.13605
   D410      -1.03174   0.00033   0.00379  -0.00671  -0.00299  -1.03473
   D411       1.03441  -0.00117  -0.00837  -0.01267  -0.02096   1.01344
   D412      -3.13828   0.00005   0.00002  -0.00298  -0.00254  -3.14082
   D413      -1.04952  -0.00010  -0.00222  -0.00385  -0.00565  -1.05516
   D414       1.05624   0.00035   0.00188   0.00088   0.00317   1.05941
   D415       1.06494   0.00047   0.00225   0.00411   0.00660   1.07154
   D416      -3.12948   0.00031   0.00002   0.00324   0.00349  -3.12599
   D417      -1.02373   0.00077   0.00412   0.00797   0.01231  -1.01142
   D418      -1.05665  -0.00057  -0.00046  -0.00186  -0.00295  -1.05960
   D419       1.03212  -0.00073  -0.00269  -0.00272  -0.00606   1.02606
   D420       3.13787  -0.00028   0.00141   0.00200   0.00276   3.14063
   D421       1.50731  -0.00250  -0.00907  -0.00151  -0.01200   1.49531
   D422      -2.72058  -0.00220  -0.01679  -0.00515  -0.02259  -2.74317
   D423      -0.58341  -0.00020  -0.00399   0.00739   0.00288  -0.58053
   D424      -1.54656   0.00176   0.00461   0.00612   0.01108  -1.53548
   D425       2.67265   0.00165   0.01049   0.01040   0.02061   2.69327
   D426       0.55056  -0.00047  -0.00049  -0.01119  -0.01146   0.53910
   D427       1.04893   0.00023   0.00078   0.00341   0.00419   1.05312
   D428       3.13993   0.00016  -0.00049   0.00322   0.00274  -3.14052
   D429      -1.05246   0.00014  -0.00109   0.00336   0.00227  -1.05019
   D430      -1.04054   0.00023   0.00201   0.00262   0.00466  -1.03588
   D431       1.05045   0.00016   0.00074   0.00243   0.00321   1.05367
   D432       3.14125   0.00013   0.00013   0.00257   0.00275  -3.13919
   D433      -3.13630  -0.00026   0.00055  -0.00422  -0.00372  -3.14002
   D434      -1.04531  -0.00033  -0.00071  -0.00441  -0.00516  -1.05047
   D435       1.04549  -0.00036  -0.00132  -0.00427  -0.00563   1.03986
   D436      -1.63355   0.00028   0.00637   0.01083   0.01696  -1.61660
   D437      -1.55846   0.00040   0.01632   0.00728   0.02284  -1.53561
   D438       0.33389   0.00001   0.00306  -0.00316   0.00013   0.33401
   D439       0.90079  -0.00099  -0.00270   0.01509   0.01078   0.91157
   D440       0.72196  -0.00063   0.00586   0.01038   0.01535   0.73730
   D441      -0.32482  -0.00009  -0.00206   0.00252   0.00041  -0.32442
         Item               Value     Threshold  Converged?
 Maximum Force            0.013231     0.000450     NO 
 RMS     Force            0.001781     0.000300     NO 
 Maximum Displacement     2.387960     0.001800     NO 
 RMS     Displacement     0.363744     0.001200     NO 
 Predicted change in Energy=-2.251975D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.535050    2.838541    0.196577
      2          6           0       -1.876944    1.486709    0.085564
      3          6           0       -0.915978    0.465186    0.034366
      4          6           0        0.447602    0.819594    0.070722
      5          6           0        0.804256    2.171432    0.181667
      6          6           0       -0.160046    3.156935    0.251064
      7          6           0       -1.276830   -0.944892   -0.158399
      8          6           0       -0.260355   -1.940300   -0.318237
      9          6           0        1.115711   -1.600275   -0.054746
     10          6           0        1.490117   -0.198516    0.010357
     11          6           0       -2.614308   -1.345999   -0.232640
     12          6           0       -3.009744   -2.643143   -0.583245
     13          6           0       -1.986711   -3.537012   -0.967588
     14          6           0       -0.661156   -3.192661   -0.833811
     15          7           0        2.132656   -2.536417    0.045987
     16          6           0        3.468775   -2.101101   -0.061002
     17          6           0        3.722053   -0.700902   -0.072102
     18          7           0        2.732142    0.220354   -0.007989
     19          6           0        4.567418   -2.963328   -0.249990
     20          6           0        5.849357   -2.455040   -0.338442
     21          6           0        6.136020   -1.067718   -0.258067
     22          6           0        5.043329   -0.220179   -0.151453
     23          6           0       -2.574686    3.896499    0.238965
     24          6           0       -4.433526   -3.038972   -0.597357
     25          6           0        7.526084   -0.557019   -0.307296
     26          6           0       -4.843234   -4.310206   -1.040760
     27          6           0       -6.173939   -4.703596   -1.036073
     28          6           0       -7.175600   -3.831195   -0.580918
     29          6           0       -6.788712   -2.555896   -0.137950
     30          6           0       -5.452968   -2.180067   -0.146673
     31          6           0       -2.250033    5.241473    0.489695
     32          6           0       -3.210644    6.244190    0.521389
     33          6           0       -4.563633    5.944798    0.302191
     34          6           0       -4.910384    4.607335    0.056951
     35          6           0       -3.936247    3.617929    0.027493
     36          6           0        8.623082   -1.400295   -0.553502
     37          6           0        9.928540   -0.926312   -0.585614
     38          6           0       10.200548    0.433126   -0.369320
     39          6           0        9.117084    1.291798   -0.124452
     40          6           0        7.818725    0.801345   -0.094740
     41          7           0       -5.546113    6.956418    0.327667
     42          7           0       -8.527338   -4.224622   -0.567067
     43          7           0       11.522458    0.922185   -0.395830
     44          6           0       -9.015387   -5.515462   -0.262739
     45          6           0      -10.427724   -5.503932   -0.353019
     46          6           0      -10.822165   -4.160602   -0.719383
     47          6           0       -9.637459   -3.396864   -0.846299
     48          6           0       -6.856761    6.828841    0.836102
     49          6           0       -7.533750    8.061642    0.675039
     50          6           0       -6.605891    8.979598    0.050785
     51          6           0       -5.395171    8.274963   -0.154055
     52          6           0       11.935598    2.173312   -0.903841
     53          6           0       13.336903    2.293357   -0.744133
     54          6           0       13.801704    1.073265   -0.120570
     55          6           0       12.668054    0.250871    0.085400
     56          6           0      -12.066380   -3.573012   -0.956901
     57          6           0      -12.122043   -2.240464   -1.349742
     58          6           0      -10.938440   -1.511424   -1.533073
     59          6           0       -9.685106   -2.074733   -1.298234
     60          6           0       -8.337550   -6.653888    0.183342
     61          6           0       -9.089925   -7.796712    0.450136
     62          6           0      -10.484277   -7.814512    0.303595
     63          6           0      -11.159252   -6.662524   -0.084058
     64          6           0       -6.721967   10.311272   -0.353453
     65          6           0       -5.646057   10.923115   -0.986490
     66          6           0       -4.473856   10.196338   -1.240053
     67          6           0       -4.332359    8.867810   -0.842641
     68          6           0       -7.461750    5.765507    1.513170
     69          6           0       -8.776943    5.931548    1.944113
     70          6           0       -9.478241    7.127632    1.733999
     71          6           0       -8.852714    8.202094    1.111849
     72          6           0       15.066970    0.641205    0.282609
     73          6           0       15.192171   -0.590081    0.915896
     74          6           0       14.053814   -1.368127    1.171015
     75          6           0       12.781104   -0.960402    0.774654
     76          6           0       11.207244    3.157287   -1.579283
     77          6           0       11.890796    4.293308   -2.009727
     78          6           0       13.268594    4.450205   -1.801252
     79          6           0       13.998758    3.442869   -1.180817
     80          8           0        0.495247   -4.433117    1.289949
     81         15           0        1.818054   -4.194755    0.695300
     82          8           0        3.086383   -4.616511    1.564984
     83          8           0        2.168388   -4.964438   -0.678716
     84          6           0        3.494035   -4.048001    2.852125
     85          6           0        4.646352   -4.898595    3.354282
     86          6           0        1.641144   -6.307041   -0.881022
     87          6           0        2.110529   -6.786938   -2.240342
     88          1           0       -2.920718    1.218854    0.028688
     89          1           0        1.855878    2.418642    0.219792
     90          1           0        0.160746    4.186856    0.330620
     91          1           0       -3.375063   -0.609218   -0.028966
     92          1           0       -2.225778   -4.516109   -1.358304
     93          1           0        0.088820   -3.874737   -1.198867
     94          1           0        4.424803   -4.023283   -0.361114
     95          1           0        6.654673   -3.163652   -0.478650
     96          1           0        5.142571    0.856520   -0.141337
     97          1           0       -4.115357   -5.014455   -1.421404
     98          1           0       -6.441179   -5.661644   -1.456274
     99          1           0       -7.519830   -1.887888    0.292196
    100          1           0       -5.207898   -1.201106    0.244466
    101          1           0       -1.226975    5.523479    0.701084
    102          1           0       -2.915195    7.246002    0.795703
    103          1           0       -5.929263    4.348859   -0.190731
    104          1           0       -4.257893    2.609766   -0.200826
    105          1           0        8.469906   -2.452471   -0.756242
    106          1           0       10.726720   -1.601679   -0.855415
    107          1           0        9.292758    2.327795    0.124491
    108          1           0        7.023386    1.498457    0.136468
    109          1           0      -12.973467   -4.157922   -0.847236
    110          1           0      -13.079649   -1.768980   -1.537730
    111          1           0      -10.989089   -0.484380   -1.877485
    112          1           0       -8.789944   -1.505886   -1.500603
    113          1           0       -7.272330   -6.654885    0.359204
    114          1           0       -8.575075   -8.687798    0.791916
    115          1           0      -11.036778   -8.722079    0.517324
    116          1           0      -12.241095   -6.653120   -0.164455
    117          1           0       -7.647459   10.851591   -0.184558
    118          1           0       -5.719255   11.956193   -1.306062
    119          1           0       -3.653690   10.669154   -1.769099
    120          1           0       -3.439288    8.318279   -1.099531
    121          1           0       -6.929588    4.853280    1.737857
    122          1           0       -9.258889    5.112023    2.465854
    123          1           0      -10.501362    7.220068    2.079459
    124          1           0       -9.372412    9.144806    0.976601
    125          1           0       15.935080    1.269522    0.113558
    126          1           0       16.166769   -0.940197    1.235666
    127          1           0       14.154965   -2.308612    1.701417
    128          1           0       11.917665   -1.554211    1.034492
    129          1           0       10.157108    3.041196   -1.801852
    130          1           0       11.335424    5.066582   -2.528973
    131          1           0       13.766677    5.348936   -2.146017
    132          1           0       15.071160    3.536716   -1.046074
    133          1           0        3.803130   -3.015967    2.701507
    134          1           0        2.646522   -4.065756    3.533846
    135          1           0        4.979834   -4.505106    4.317591
    136          1           0        4.343794   -5.939541    3.491855
    137          1           0        5.489620   -4.872270    2.659809
    138          1           0        2.003257   -6.959735   -0.082023
    139          1           0        0.551131   -6.274181   -0.813967
    140          1           0        3.200955   -6.814434   -2.287203
    141          1           0        1.729760   -7.794861   -2.424287
    142          1           0        1.747165   -6.129051   -3.032739
    143         17           0        1.340189   -1.355876    2.834723
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0193966           0.0073300           0.0054779
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13507.8846661287 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  1.62D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    0.999992    0.004047    0.000484   -0.000121 Ang=   0.47 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.64966553     A.U. after   18 cycles
            NFock= 18  Conv=0.23D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000339920   -0.000844471   -0.000021088
      2        6           0.001318639    0.001434574    0.001248993
      3        6           0.001416389   -0.000566878   -0.000469363
      4        6          -0.002729205   -0.001170967    0.001742744
      5        6          -0.001290293    0.000267714    0.000120456
      6        6           0.000190357   -0.001285263   -0.001029168
      7        6           0.001767535   -0.001185385    0.003249288
      8        6          -0.003577235    0.003332915   -0.004397358
      9        6           0.005925782   -0.003314918    0.014357390
     10        6          -0.000352062    0.002186265   -0.000027118
     11        6           0.001416759   -0.000761821   -0.001679288
     12        6           0.000728657    0.001064180   -0.000416198
     13        6          -0.000499824    0.001045767    0.000491392
     14        6          -0.000749766    0.002188606   -0.001576545
     15        7          -0.001985489    0.001130378   -0.008871523
     16        6          -0.000669058    0.001125067   -0.001965674
     17        6           0.003603055   -0.001996554    0.001013152
     18        7          -0.001897338   -0.001807412   -0.001477373
     19        6          -0.001927252    0.001958070   -0.000194507
     20        6          -0.000483119    0.000736994    0.000970979
     21        6           0.000637925   -0.001313434   -0.000723407
     22        6           0.000532793   -0.000516719   -0.000825684
     23        6          -0.001255116    0.001109068    0.000214620
     24        6          -0.001328577   -0.001771198   -0.000278940
     25        6           0.001472594    0.000729866    0.000043890
     26        6          -0.000217318    0.000370120   -0.000221588
     27        6          -0.001424602    0.003871789   -0.004043508
     28        6           0.000989387    0.000694441   -0.000199765
     29        6           0.003012944   -0.002685939    0.004160327
     30        6          -0.000064755   -0.000153853    0.000185250
     31        6          -0.000247314   -0.000159720    0.000565313
     32        6          -0.000683345   -0.003387324    0.004754641
     33        6           0.001083062   -0.000544184    0.000093244
     34        6           0.002580931    0.002307737   -0.004823289
     35        6          -0.000299669    0.000212843   -0.000698914
     36        6          -0.000077427    0.000235407   -0.000551252
     37        6          -0.002597310    0.001898104   -0.004899725
     38        6          -0.000915969   -0.000818143   -0.000175822
     39        6           0.000964961   -0.003035770    0.004888327
     40        6           0.000147543    0.000242397    0.000595257
     41        7          -0.004172761    0.002169105   -0.000084242
     42        7          -0.003775967   -0.002665911   -0.000105866
     43        7           0.003630229    0.003002832    0.000199971
     44        6          -0.000547954    0.004051116    0.003746383
     45        6          -0.000502451    0.001541504   -0.001588831
     46        6           0.001202327   -0.001001730    0.001670435
     47        6           0.003784059   -0.001629053   -0.003713665
     48        6           0.003591949    0.002855410    0.003416203
     49        6           0.001008535    0.000950444   -0.001816875
     50        6          -0.000253220   -0.001347585    0.001801030
     51        6           0.000020184   -0.004789687   -0.003313498
     52        6           0.001210806   -0.004573342   -0.003186480
     53        6           0.000373613   -0.001249717    0.001868820
     54        6          -0.001032431    0.000686026   -0.001891326
     55        6          -0.004456488    0.002003552    0.003014286
     56        6          -0.000662645   -0.000103688   -0.000475555
     57        6           0.000697794   -0.000255357   -0.000118780
     58        6           0.000887759    0.000973767   -0.000272662
     59        6          -0.001784131   -0.001518276   -0.000261626
     60        6          -0.002053781   -0.001191859    0.000022416
     61        6           0.001217270    0.000523075    0.000357185
     62        6          -0.000013928    0.000742419    0.000134167
     63        6          -0.000311025   -0.000610584    0.000412465
     64        6          -0.000395396    0.000469701   -0.000461011
     65        6           0.000100049   -0.000744013   -0.000035605
     66        6           0.001307219   -0.000365387   -0.000315230
     67        6          -0.002249691    0.000842966   -0.000117602
     68        6          -0.002053576    0.001190476    0.000124166
     69        6           0.001069767   -0.000800588    0.000353820
     70        6           0.000678009    0.000404753    0.000026091
     71        6          -0.000691877    0.000048630    0.000459096
     72        6           0.000582807    0.000179043    0.000503824
     73        6          -0.000739044    0.000223413    0.000003911
     74        6          -0.000888298   -0.001016569    0.000326479
     75        6           0.001672491    0.001694370    0.000122713
     76        6           0.001958464    0.001371203   -0.000074957
     77        6          -0.001110625   -0.000686973   -0.000400766
     78        6           0.000081702   -0.000754537   -0.000035098
     79        6           0.000320526    0.000566661   -0.000460141
     80        8          -0.001152789    0.000059237   -0.001270553
     81       15           0.006939305   -0.000237291    0.006832139
     82        8          -0.002143193    0.008611005   -0.004879732
     83        8          -0.002661871   -0.005045765   -0.002321765
     84        6           0.004356633   -0.003900993    0.004246404
     85        6          -0.001395288   -0.000445810   -0.000706773
     86        6           0.002313667   -0.001161302    0.000001485
     87        6          -0.000811677    0.000408069    0.001282371
     88        1          -0.000451536   -0.000101326    0.000956456
     89        1           0.000633470    0.001042806    0.000123762
     90        1           0.000398198    0.000948781   -0.000176182
     91        1          -0.000513127   -0.000026438   -0.000389774
     92        1           0.000537960   -0.000805323   -0.000402340
     93        1           0.001948534   -0.001222590    0.000302606
     94        1          -0.000428867   -0.003716957    0.000887391
     95        1           0.000664781   -0.000894445    0.000061657
     96        1          -0.000431210    0.000653709    0.000002131
     97        1           0.000606524   -0.000768475   -0.000221130
     98        1          -0.000170687   -0.002781170    0.000477826
     99        1          -0.002617230    0.000724534   -0.000502547
    100        1          -0.000375767    0.000619283    0.000545318
    101        1           0.000544360    0.000794388    0.000278602
    102        1          -0.000638261    0.002642080   -0.000857500
    103        1          -0.002446842   -0.000991081    0.000753970
    104        1          -0.000275886   -0.000755312   -0.000365102
    105        1           0.000466778   -0.000891646   -0.000136766
    106        1           0.002615497   -0.000473947    0.000994565
    107        1           0.000098742    0.002588369   -0.000826329
    108        1          -0.000666602    0.000517267    0.000262025
    109        1          -0.000835182   -0.000458926   -0.000051137
    110        1          -0.001082383    0.000188722   -0.000110511
    111        1          -0.000773611    0.000828895   -0.000346135
    112        1           0.001438200    0.001785823    0.001109365
    113        1           0.002255503    0.000863628   -0.000904879
    114        1           0.000508690   -0.001035860    0.000347422
    115        1          -0.000186518   -0.001106514    0.000038680
    116        1          -0.000715097   -0.000644630   -0.000011755
    117        1          -0.000823159    0.000532448   -0.000036477
    118        1          -0.000354046    0.001028378   -0.000218848
    119        1           0.000338727    0.001033258   -0.000502439
    120        1           0.002442181   -0.000367411    0.001010745
    121        1           0.001686718   -0.001657901   -0.000830282
    122        1          -0.000624964   -0.000874556    0.000506794
    123        1          -0.001062802   -0.000337192    0.000183318
    124        1          -0.000898938    0.000336906    0.000020409
    125        1           0.000809975    0.000531692    0.000049596
    126        1           0.001083567   -0.000087280    0.000249363
    127        1           0.000784037   -0.000707353    0.000563264
    128        1          -0.001264813   -0.002097913   -0.000984160
    129        1          -0.002247547   -0.000835022    0.000802823
    130        1          -0.000526058    0.000938947   -0.000553272
    131        1           0.000124957    0.001093258   -0.000195744
    132        1           0.000673380    0.000689215   -0.000020554
    133        1          -0.003247300    0.001443146   -0.001432958
    134        1          -0.003039441    0.000541322   -0.000586879
    135        1           0.000547653    0.000304411    0.001044364
    136        1          -0.000325474   -0.000724426    0.000275741
    137        1           0.000496853    0.000576249   -0.000444173
    138        1           0.001304347    0.000160053    0.000773992
    139        1          -0.001283490    0.000517462   -0.000231793
    140        1           0.000991026    0.000150626   -0.000018584
    141        1           0.000093052   -0.000811414   -0.000347663
    142        1          -0.000458440    0.000369275   -0.000793183
    143       17          -0.001330677    0.000435070   -0.002268480
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.014357390 RMS     0.001893153

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.006195852 RMS     0.001079660
 Search for a local minimum.
 Step number   6 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    5    6
 DE= -2.30D-02 DEPred=-2.25D-02 R= 1.02D+00
 TightC=F SS=  1.41D+00  RLast= 8.21D-01 DXNew= 1.4270D+00 2.4643D+00
 Trust test= 1.02D+00 RLast= 8.21D-01 DXMaxT set to 1.43D+00
 ITU=  1  1  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00417   0.00421   0.01084   0.01406   0.01584
     Eigenvalues ---    0.01619   0.02155   0.02553   0.02584   0.02599
     Eigenvalues ---    0.02624   0.02655   0.02664   0.02693   0.02702
     Eigenvalues ---    0.02704   0.02706   0.02712   0.02715   0.02718
     Eigenvalues ---    0.02723   0.02725   0.02727   0.02728   0.02740
     Eigenvalues ---    0.02749   0.02767   0.02769   0.02770   0.02771
     Eigenvalues ---    0.02773   0.02774   0.02780   0.02786   0.02787
     Eigenvalues ---    0.02791   0.02791   0.02792   0.02792   0.02792
     Eigenvalues ---    0.02793   0.02794   0.02794   0.02797   0.02802
     Eigenvalues ---    0.02802   0.02804   0.02806   0.02807   0.02808
     Eigenvalues ---    0.02809   0.02810   0.02810   0.02811   0.02811
     Eigenvalues ---    0.02812   0.02814   0.02817   0.02817   0.02818
     Eigenvalues ---    0.02818   0.02822   0.02822   0.02823   0.02823
     Eigenvalues ---    0.02823   0.02823   0.02825   0.02828   0.02829
     Eigenvalues ---    0.02833   0.02845   0.02845   0.02846   0.02846
     Eigenvalues ---    0.02847   0.02848   0.02855   0.02862   0.02869
     Eigenvalues ---    0.02871   0.02871   0.02872   0.02873   0.02874
     Eigenvalues ---    0.02875   0.02877   0.02877   0.02879   0.02879
     Eigenvalues ---    0.02879   0.02880   0.02880   0.02884   0.02885
     Eigenvalues ---    0.02885   0.02886   0.02886   0.02886   0.02887
     Eigenvalues ---    0.02887   0.02888   0.02894   0.02895   0.02895
     Eigenvalues ---    0.02897   0.02899   0.02899   0.02900   0.02909
     Eigenvalues ---    0.02913   0.02914   0.02918   0.02919   0.02919
     Eigenvalues ---    0.02943   0.02953   0.02954   0.02959   0.03024
     Eigenvalues ---    0.03024   0.03025   0.03133   0.03133   0.03134
     Eigenvalues ---    0.03146   0.03149   0.03165   0.03402   0.03756
     Eigenvalues ---    0.03996   0.04656   0.04810   0.05338   0.05505
     Eigenvalues ---    0.05590   0.05650   0.05662   0.05734   0.05797
     Eigenvalues ---    0.06445   0.07646   0.08924   0.10081   0.10843
     Eigenvalues ---    0.11384   0.12612   0.13618   0.13700   0.14734
     Eigenvalues ---    0.15088   0.15939   0.15941   0.15950   0.15950
     Eigenvalues ---    0.15953   0.15959   0.15967   0.15985   0.15986
     Eigenvalues ---    0.15986   0.15987   0.15987   0.15990   0.15991
     Eigenvalues ---    0.15991   0.15993   0.15994   0.15995   0.15995
     Eigenvalues ---    0.15995   0.15995   0.15995   0.15995   0.15995
     Eigenvalues ---    0.15996   0.15997   0.15998   0.15998   0.15998
     Eigenvalues ---    0.15998   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16051
     Eigenvalues ---    0.16171   0.16901   0.17689   0.19162   0.20958
     Eigenvalues ---    0.21923   0.21944   0.21996   0.21996   0.21996
     Eigenvalues ---    0.21997   0.21997   0.22005   0.22005   0.22005
     Eigenvalues ---    0.22057   0.22323   0.22440   0.22462   0.22586
     Eigenvalues ---    0.22586   0.22590   0.22590   0.22590   0.22688
     Eigenvalues ---    0.22880   0.22954   0.22956   0.23266   0.23406
     Eigenvalues ---    0.23509   0.23663   0.24002   0.24002   0.24278
     Eigenvalues ---    0.24382   0.24394   0.24396   0.24397   0.24436
     Eigenvalues ---    0.24437   0.24607   0.24650   0.24778   0.24887
     Eigenvalues ---    0.24889   0.24927   0.24929   0.24929   0.24952
     Eigenvalues ---    0.24981   0.24983   0.24995   0.24996   0.24998
     Eigenvalues ---    0.24999   0.24999   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25007   0.25433   0.25882
     Eigenvalues ---    0.27162   0.29069   0.29760   0.29785   0.30085
     Eigenvalues ---    0.32016   0.32099   0.32128   0.32140   0.32146
     Eigenvalues ---    0.32150   0.32179   0.32246   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33289   0.33319
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33407   0.33418
     Eigenvalues ---    0.33474   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33584   0.33587   0.33595   0.33629   0.33635
     Eigenvalues ---    0.33637   0.33642   0.33642   0.33662   0.33711
     Eigenvalues ---    0.33720   0.33773   0.33817   0.33822   0.33831
     Eigenvalues ---    0.33840   0.33859   0.33882   0.33897   0.33922
     Eigenvalues ---    0.33941   0.33947   0.33954   0.33959   0.34246
     Eigenvalues ---    0.34813   0.34914   0.34981   0.38773   0.41527
     Eigenvalues ---    0.42553   0.43277   0.44395   0.44399   0.44403
     Eigenvalues ---    0.44476   0.45141   0.47837   0.48908   0.48918
     Eigenvalues ---    0.48951   0.49213   0.49277   0.49637   0.49657
     Eigenvalues ---    0.49686   0.49724   0.50053   0.50087   0.50092
     Eigenvalues ---    0.50139   0.50396   0.50401   0.50473   0.50569
     Eigenvalues ---    0.50570   0.50574   0.51437   0.51581   0.52244
     Eigenvalues ---    0.52440   0.52638   0.53025   0.53274   0.53669
     Eigenvalues ---    0.54086   0.54110   0.54184   0.54186   0.54191
     Eigenvalues ---    0.54339   0.54499   0.54952   0.55149   0.55315
     Eigenvalues ---    0.55345   0.55358   0.55374   0.55387   0.55412
     Eigenvalues ---    0.55429   0.55492   0.55529   0.55606   0.55709
     Eigenvalues ---    0.55710   0.55745   0.55770   0.55938   0.55946
     Eigenvalues ---    0.56060   0.56147   0.56152   0.56154   0.56254
     Eigenvalues ---    0.56274   0.56310   0.56377   0.56659   0.56661
     Eigenvalues ---    0.56667   0.56669   0.56678   0.56693   0.56842
     Eigenvalues ---    0.56905   0.56919   0.56993   0.57157   0.57173
     Eigenvalues ---    0.57179   0.57190   0.57194   0.57210   0.57656
     Eigenvalues ---    0.60016   0.63210   0.66079   0.66086   0.67621
     Eigenvalues ---    0.67633   0.67637   0.69669   0.70039   0.70092
     Eigenvalues ---    0.73711   0.76920   0.79911
 RFO step:  Lambda=-1.33731678D-02 EMin= 4.17401939D-03
 Quartic linear search produced a step of  0.55064.
 Iteration  1 RMS(Cart)=  0.38889997 RMS(Int)=  0.00707682
 Iteration  2 RMS(Cart)=  0.03228680 RMS(Int)=  0.00056071
 Iteration  3 RMS(Cart)=  0.00018244 RMS(Int)=  0.00055868
 Iteration  4 RMS(Cart)=  0.00000016 RMS(Int)=  0.00055868
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64337   0.00056  -0.00324   0.00175  -0.00138   2.64198
    R2        2.66912   0.00024  -0.00402   0.00141  -0.00246   2.66665
    R3        2.80414   0.00347   0.01237   0.00543   0.01780   2.82194
    R4        2.65208   0.00178   0.00045   0.00335   0.00378   2.65586
    R5        2.03919   0.00033  -0.00416   0.00259  -0.00157   2.03762
    R6        2.66329   0.00011  -0.00796   0.00192  -0.00590   2.65739
    R7        2.77455   0.00159   0.00836   0.00147   0.01039   2.78493
    R8        2.65032   0.00152  -0.00125   0.00346   0.00210   2.65242
    R9        2.75604   0.00313   0.00409   0.00625   0.01011   2.76615
   R10        2.60886   0.00017  -0.00313   0.00103  -0.00207   2.60679
   R11        2.04272   0.00110  -0.00214   0.00427   0.00213   2.04485
   R12        2.04403   0.00091  -0.00323   0.00401   0.00078   2.04481
   R13        2.70542  -0.00178  -0.00458  -0.00360  -0.00810   2.69731
   R14        2.64241   0.00191   0.00024   0.00368   0.00396   2.64636
   R15        2.72449   0.00083   0.00015   0.00304   0.00283   2.72732
   R16        2.66904  -0.00009  -0.00318   0.00076  -0.00257   2.66647
   R17        2.74456   0.00108  -0.00076   0.00500   0.00297   2.74753
   R18        2.61895  -0.00210  -0.00239  -0.00307  -0.00410   2.61485
   R19        5.49620  -0.00421  -0.07496  -0.11156  -0.18455   5.31165
   R20        2.47721   0.00221  -0.01202   0.00590  -0.00566   2.47155
   R21        2.64688   0.00106  -0.00444   0.00318  -0.00108   2.64580
   R22        2.03800   0.00039  -0.00392   0.00273  -0.00119   2.03680
   R23        2.66801   0.00022  -0.00374   0.00134  -0.00226   2.66575
   R24        2.79273   0.00383   0.01161   0.00653   0.01814   2.81087
   R25        2.60040   0.00055  -0.00232   0.00182  -0.00052   2.59988
   R26        2.04269   0.00095  -0.00307   0.00399   0.00092   2.04362
   R27        2.03614   0.00207  -0.00117   0.00680   0.00563   2.04177
   R28        2.66321  -0.00295   0.01147  -0.00985   0.00116   2.66437
   R29        3.41757   0.00233   0.01656   0.00182   0.01859   3.43615
   R30        5.91540   0.00177   0.05767   0.04095   0.09490   6.01029
   R31        2.68901  -0.00302  -0.00326  -0.00729  -0.00982   2.67919
   R32        2.66322  -0.00168   0.00160  -0.00537  -0.00389   2.65933
   R33        2.55829   0.00488   0.00130   0.00770   0.01029   2.56858
   R34        2.66120   0.00238  -0.00171   0.00529   0.00358   2.66478
   R35        2.61135   0.00072  -0.00253   0.00183  -0.00069   2.61066
   R36        2.03195   0.00343  -0.00731   0.01478   0.00747   2.03943
   R37        2.68135   0.00082  -0.00399   0.00340  -0.00046   2.68088
   R38        2.04433   0.00094  -0.00279   0.00390   0.00110   2.04543
   R39        2.62098   0.00299  -0.00702   0.00882   0.00191   2.62289
   R40        2.80006   0.00322   0.01155   0.00495   0.01650   2.81656
   R41        2.04338   0.00074  -0.00246   0.00319   0.00073   2.04411
   R42        2.65721   0.00131  -0.00368   0.00413   0.00040   2.65762
   R43        2.65651   0.00154  -0.00427   0.00496   0.00065   2.65716
   R44        2.65942   0.00117  -0.00351   0.00382   0.00026   2.65968
   R45        2.65914   0.00136  -0.00406   0.00451   0.00042   2.65956
   R46        2.65581   0.00118  -0.00408   0.00393  -0.00019   2.65563
   R47        2.65637   0.00150  -0.00402   0.00474   0.00069   2.65706
   R48        2.62227   0.00094  -0.00058   0.00204   0.00145   2.62371
   R49        2.04463   0.00089  -0.00285   0.00374   0.00089   2.04552
   R50        2.65342  -0.00044  -0.00519  -0.00062  -0.00578   2.64764
   R51        2.04042   0.00234  -0.00361   0.00995   0.00635   2.04676
   R52        2.65390  -0.00045  -0.00522  -0.00064  -0.00582   2.64808
   R53        2.66054   0.00144   0.00536   0.00078   0.00615   2.66669
   R54        2.62225   0.00079  -0.00078   0.00175   0.00098   2.62323
   R55        2.04037   0.00233  -0.00358   0.00991   0.00633   2.04670
   R56        2.04528   0.00081  -0.00275   0.00326   0.00051   2.04580
   R57        2.62476   0.00083  -0.00060   0.00178   0.00117   2.62593
   R58        2.04480   0.00094  -0.00300   0.00403   0.00103   2.04583
   R59        2.65119  -0.00038  -0.00541  -0.00044  -0.00580   2.64538
   R60        2.04070   0.00235  -0.00359   0.01004   0.00645   2.04715
   R61        2.65181  -0.00034  -0.00538  -0.00030  -0.00563   2.64617
   R62        2.66531   0.00145   0.00583   0.00069   0.00653   2.67184
   R63        2.62443   0.00073  -0.00071   0.00158   0.00087   2.62531
   R64        2.04079   0.00228  -0.00347   0.00966   0.00619   2.04698
   R65        2.04578   0.00081  -0.00280   0.00330   0.00050   2.04627
   R66        2.62523   0.00085  -0.00034   0.00174   0.00140   2.62663
   R67        2.04548   0.00098  -0.00292   0.00404   0.00112   2.04660
   R68        2.65158  -0.00039  -0.00516  -0.00052  -0.00564   2.64593
   R69        2.04056   0.00235  -0.00360   0.01001   0.00641   2.04697
   R70        2.65315  -0.00032  -0.00528  -0.00029  -0.00553   2.64762
   R71        2.66400   0.00142   0.00579   0.00063   0.00642   2.67042
   R72        2.62336   0.00080  -0.00065   0.00174   0.00110   2.62446
   R73        2.04066   0.00226  -0.00342   0.00961   0.00619   2.04685
   R74        2.04579   0.00084  -0.00266   0.00344   0.00078   2.04657
   R75        2.66751  -0.00236   0.00198  -0.00557  -0.00359   2.66392
   R76        2.66806  -0.00270   0.00211  -0.00638  -0.00426   2.66380
   R77        2.67052  -0.00254   0.00250  -0.00612  -0.00361   2.66691
   R78        2.66948  -0.00236   0.00246  -0.00570  -0.00324   2.66625
   R79        2.66852  -0.00240   0.00215  -0.00572  -0.00356   2.66496
   R80        2.66889  -0.00265   0.00220  -0.00629  -0.00408   2.66481
   R81        2.67447   0.00063  -0.00428   0.00230  -0.00198   2.67249
   R82        2.64188   0.00077  -0.00421   0.00159  -0.00261   2.63927
   R83        2.73478  -0.00002  -0.00361   0.00260  -0.00101   2.73377
   R84        2.63873   0.00185  -0.00159   0.00438   0.00277   2.64150
   R85        2.67443   0.00066  -0.00420   0.00247  -0.00173   2.67270
   R86        2.63869   0.00184  -0.00166   0.00438   0.00272   2.64141
   R87        2.64193   0.00080  -0.00420   0.00170  -0.00250   2.63943
   R88        2.67518   0.00070  -0.00415   0.00260  -0.00154   2.67364
   R89        2.64232   0.00086  -0.00427   0.00187  -0.00238   2.63993
   R90        2.73408  -0.00003  -0.00373   0.00263  -0.00111   2.73297
   R91        2.63899   0.00185  -0.00167   0.00441   0.00273   2.64172
   R92        2.67536   0.00060  -0.00397   0.00212  -0.00185   2.67351
   R93        2.63902   0.00184  -0.00163   0.00435   0.00272   2.64174
   R94        2.64237   0.00074  -0.00415   0.00149  -0.00265   2.63972
   R95        2.67486   0.00069  -0.00422   0.00258  -0.00164   2.67322
   R96        2.64219   0.00083  -0.00420   0.00178  -0.00241   2.63978
   R97        2.73423  -0.00002  -0.00369   0.00266  -0.00103   2.73320
   R98        2.63894   0.00184  -0.00161   0.00438   0.00276   2.64170
   R99        2.67509   0.00059  -0.00407   0.00213  -0.00194   2.67315
   R100       2.63894   0.00184  -0.00163   0.00435   0.00271   2.64166
   R101       2.64226   0.00074  -0.00413   0.00149  -0.00263   2.63963
   R102       2.62740   0.00117  -0.00262   0.00349   0.00085   2.62826
   R103       2.05012   0.00087  -0.00093   0.00287   0.00194   2.05205
   R104       2.64968   0.00110  -0.00296   0.00360   0.00063   2.65031
   R105       2.04811   0.00110  -0.00203   0.00386   0.00183   2.04993
   R106       2.63433   0.00028  -0.00007   0.00030   0.00024   2.63457
   R107       2.04929   0.00111  -0.00128   0.00366   0.00238   2.05167
   R108       2.04043   0.00211  -0.00402   0.00903   0.00501   2.04543
   R109       2.63432   0.00028  -0.00005   0.00030   0.00025   2.63457
   R110       2.04022   0.00217  -0.00410   0.00930   0.00521   2.04543
   R111       2.64967   0.00111  -0.00304   0.00368   0.00063   2.65030
   R112       2.04921   0.00112  -0.00126   0.00371   0.00245   2.05166
   R113       2.62729   0.00118  -0.00262   0.00355   0.00092   2.62821
   R114       2.04808   0.00111  -0.00204   0.00391   0.00187   2.04995
   R115       2.05010   0.00088  -0.00096   0.00290   0.00194   2.05204
   R116       2.62711   0.00122  -0.00266   0.00365   0.00099   2.62809
   R117       2.05016   0.00090  -0.00096   0.00296   0.00200   2.05216
   R118       2.65004   0.00113  -0.00297   0.00372   0.00074   2.65078
   R119       2.04818   0.00110  -0.00203   0.00388   0.00185   2.05003
   R120       2.63408   0.00026  -0.00020   0.00028   0.00009   2.63417
   R121       2.04939   0.00112  -0.00124   0.00369   0.00245   2.05183
   R122       2.04016   0.00222  -0.00418   0.00956   0.00538   2.04554
   R123       2.63413   0.00025  -0.00017   0.00025   0.00009   2.63422
   R124       2.04041   0.00210  -0.00398   0.00898   0.00500   2.04541
   R125       2.65006   0.00112  -0.00285   0.00361   0.00076   2.65081
   R126       2.04938   0.00111  -0.00128   0.00367   0.00239   2.05177
   R127       2.62721   0.00116  -0.00259   0.00344   0.00084   2.62805
   R128       2.04812   0.00112  -0.00207   0.00395   0.00188   2.05000
   R129       2.05023   0.00088  -0.00091   0.00288   0.00197   2.05220
   R130       2.62719   0.00119  -0.00260   0.00358   0.00097   2.62816
   R131       2.05014   0.00089  -0.00096   0.00293   0.00197   2.05211
   R132       2.64986   0.00112  -0.00301   0.00371   0.00070   2.65056
   R133       2.04813   0.00110  -0.00204   0.00389   0.00185   2.04998
   R134       2.63421   0.00026  -0.00014   0.00026   0.00012   2.63433
   R135       2.04935   0.00112  -0.00124   0.00368   0.00244   2.05178
   R136       2.04025   0.00219  -0.00414   0.00943   0.00530   2.04554
   R137       2.63416   0.00027  -0.00010   0.00029   0.00019   2.63435
   R138       2.04038   0.00210  -0.00404   0.00902   0.00498   2.04536
   R139       2.64994   0.00109  -0.00292   0.00357   0.00065   2.65058
   R140       2.04929   0.00113  -0.00128   0.00372   0.00244   2.05173
   R141       2.62720   0.00116  -0.00264   0.00346   0.00081   2.62801
   R142       2.04812   0.00111  -0.00203   0.00389   0.00186   2.04998
   R143       2.05017   0.00088  -0.00094   0.00289   0.00195   2.05212
   R144       2.77747   0.00046  -0.00792   0.00269  -0.00523   2.77224
   R145       3.01344  -0.00337  -0.03146  -0.00216  -0.03322   2.98023
   R146       3.04889   0.00316  -0.01019   0.01099   0.00080   3.04969
   R147       2.76838   0.00095   0.01880  -0.00021   0.01940   2.78778
   R148       2.75245   0.00019   0.01649  -0.00266   0.01383   2.76628
   R149       2.86810  -0.00045  -0.00302  -0.00146  -0.00447   2.86362
   R150       2.05565   0.00015  -0.00182   0.00346   0.00147   2.05712
   R151       2.05567   0.00236  -0.00704   0.00863   0.00229   2.05796
   R152       2.06492   0.00113  -0.00138   0.00401   0.00263   2.06755
   R153       2.06494   0.00074  -0.00247   0.00282   0.00034   2.06528
   R154       2.06499   0.00080  -0.00295   0.00324   0.00029   2.06527
   R155       2.86490  -0.00021  -0.00271  -0.00046  -0.00316   2.86173
   R156       2.06624   0.00112  -0.00181   0.00396   0.00215   2.06839
   R157       2.06465   0.00107  -0.00240   0.00396   0.00156   2.06622
   R158       2.06316   0.00099  -0.00247   0.00380   0.00133   2.06449
   R159       2.06554   0.00086  -0.00170   0.00306   0.00135   2.06690
   R160       2.06382   0.00098  -0.00263   0.00380   0.00117   2.06499
   R161       5.61847  -0.00220  -0.05572  -0.05266  -0.10894   5.50953
   R162       5.83639  -0.00042  -0.03067  -0.03566  -0.06583   5.77056
    A1        2.04750  -0.00145   0.01029  -0.00797   0.00242   2.04992
    A2        2.11770   0.00114  -0.00647   0.00670   0.00018   2.11788
    A3        2.11792   0.00031  -0.00379   0.00127  -0.00257   2.11535
    A4        2.14001   0.00155  -0.01022   0.00857  -0.00179   2.13822
    A5        2.07200  -0.00100   0.00723  -0.00554   0.00167   2.07368
    A6        2.07113  -0.00055   0.00309  -0.00295   0.00013   2.07126
    A7        2.06976  -0.00074   0.00220  -0.00318  -0.00113   2.06863
    A8        2.13596   0.00056  -0.00413   0.00287  -0.00086   2.13510
    A9        2.07452   0.00016   0.00145  -0.00023   0.00085   2.07537
   A10        2.08342  -0.00060   0.00543  -0.00316   0.00250   2.08592
   A11        2.11179  -0.00011   0.00140  -0.00009   0.00021   2.11200
   A12        2.08790   0.00071  -0.00679   0.00326  -0.00267   2.08524
   A13        2.11113   0.00063  -0.00423   0.00325  -0.00124   2.10989
   A14        2.06079   0.00023  -0.01627   0.00609  -0.01007   2.05073
   A15        2.11123  -0.00087   0.02048  -0.00937   0.01122   2.12245
   A16        2.11428   0.00061  -0.00335   0.00269  -0.00066   2.11362
   A17        2.10156   0.00013  -0.01007   0.00403  -0.00605   2.09551
   A18        2.06718  -0.00073   0.01350  -0.00671   0.00678   2.07396
   A19        2.10355  -0.00033   0.00014  -0.00353  -0.00400   2.09955
   A20        2.11478   0.00119  -0.00136   0.00576   0.00471   2.11949
   A21        2.06434  -0.00088   0.00094  -0.00274  -0.00216   2.06218
   A22        2.08665   0.00127  -0.00822   0.00615  -0.00344   2.08322
   A23        2.04405   0.00058   0.00962   0.00008   0.01001   2.05405
   A24        2.14919  -0.00185  -0.00133  -0.00677  -0.00706   2.14213
   A25        2.07358  -0.00053   0.00772  -0.01080  -0.00430   2.06928
   A26        2.15836  -0.00065  -0.01360   0.00567  -0.01258   2.14578
   A27        1.84944   0.00077   0.00632   0.00434   0.00992   1.85935
   A28        2.04826   0.00107   0.00428   0.00146   0.00690   2.05516
   A29        1.42475  -0.00195  -0.02558  -0.02163  -0.04702   1.37772
   A30        2.08443  -0.00080  -0.00901  -0.00234  -0.01247   2.07196
   A31        2.04293   0.00373   0.00555   0.01115   0.01868   2.06162
   A32        2.15559  -0.00293   0.00363  -0.00865  -0.00602   2.14957
   A33        2.15194   0.00115  -0.00951   0.00718  -0.00250   2.14944
   A34        2.05864  -0.00025   0.00136  -0.00114   0.00010   2.05874
   A35        2.07237  -0.00091   0.00803  -0.00628   0.00164   2.07402
   A36        2.03745  -0.00137   0.01021  -0.00669   0.00361   2.04106
   A37        2.12049   0.00098  -0.00642   0.00518  -0.00130   2.11919
   A38        2.12459   0.00040  -0.00386   0.00146  -0.00245   2.12214
   A39        2.10960   0.00023  -0.00029   0.00113   0.00075   2.11034
   A40        2.10785   0.00033  -0.01007   0.00447  -0.00556   2.10229
   A41        2.06559  -0.00056   0.01040  -0.00561   0.00484   2.07043
   A42        2.13026   0.00042  -0.00745   0.00340  -0.00448   2.12578
   A43        2.07997  -0.00014  -0.01058   0.00233  -0.00805   2.07192
   A44        2.07048  -0.00028   0.01753  -0.00558   0.01210   2.08258
   A45        2.07318   0.00082  -0.00491   0.00052  -0.00428   2.06889
   A46        2.11513   0.00214  -0.02009   0.03501   0.00819   2.12332
   A47        2.06624  -0.00334   0.01808  -0.05117  -0.03250   2.03374
   A48        1.76313   0.00075   0.02046   0.02082   0.03891   1.80205
   A49        1.55272   0.00098  -0.00564  -0.00645  -0.01166   1.54106
   A50        2.06381   0.00216  -0.00657   0.01315   0.00539   2.06920
   A51        2.16551  -0.00417   0.00234  -0.02346  -0.02025   2.14526
   A52        2.05129   0.00204   0.00379   0.01151   0.01552   2.06681
   A53        2.14016  -0.00251   0.00945  -0.01346  -0.00346   2.13669
   A54        2.09826  -0.00117  -0.00103  -0.00728  -0.00883   2.08943
   A55        2.04477   0.00368  -0.00841   0.02073   0.01228   2.05705
   A56        2.06693   0.00136  -0.00626   0.00911   0.00289   2.06982
   A57        2.10219   0.00030  -0.00406  -0.00099  -0.00535   2.09683
   A58        2.11012  -0.00142  -0.00666  -0.00814  -0.01465   2.09547
   A59        2.07033   0.00112   0.01054   0.00936   0.02003   2.09036
   A60        2.14532  -0.00028  -0.00133  -0.00146  -0.00286   2.14246
   A61        2.04648  -0.00045   0.01068  -0.00565   0.00504   2.05152
   A62        2.09138   0.00073  -0.00933   0.00712  -0.00220   2.08918
   A63        2.02936  -0.00112   0.00632  -0.00181   0.00458   2.03394
   A64        2.12309   0.00053  -0.00341   0.00077  -0.00269   2.12041
   A65        2.13061   0.00059  -0.00295   0.00117  -0.00183   2.12879
   A66        2.13519   0.00031  -0.00303   0.00276  -0.00034   2.13485
   A67        2.01030  -0.00043   0.00037  -0.00324  -0.00286   2.00744
   A68        2.13753   0.00012   0.00258   0.00051   0.00310   2.14064
   A69        2.12385   0.00032  -0.00324  -0.00024  -0.00346   2.12038
   A70        2.13295   0.00032  -0.00674   0.00199  -0.00473   2.12821
   A71        2.02638  -0.00064   0.01001  -0.00175   0.00821   2.03459
   A72        2.12402   0.00068  -0.00292   0.00179  -0.00111   2.12291
   A73        2.13107   0.00000  -0.00648   0.00036  -0.00611   2.12496
   A74        2.02791  -0.00068   0.00950  -0.00210   0.00733   2.03524
   A75        2.13091   0.00030  -0.00281   0.00008  -0.00273   2.12819
   A76        2.12156   0.00021  -0.00695   0.00112  -0.00582   2.11574
   A77        2.03065  -0.00051   0.00983  -0.00118   0.00860   2.03924
   A78        2.13436  -0.00006  -0.00332  -0.00028  -0.00363   2.13074
   A79        2.09781   0.00047  -0.00778   0.00533  -0.00245   2.09536
   A80        2.05081  -0.00041   0.01106  -0.00507   0.00600   2.05681
   A81        2.10488   0.00036  -0.00972   0.00159  -0.00819   2.09669
   A82        2.08011   0.00047   0.01727   0.00277   0.01991   2.10001
   A83        2.09541  -0.00078  -0.00730  -0.00261  -0.01007   2.08534
   A84        2.06000   0.00005   0.01640  -0.00047   0.01604   2.07605
   A85        2.11120  -0.00006  -0.00812  -0.00008  -0.00825   2.10295
   A86        2.11198   0.00001  -0.00828   0.00055  -0.00779   2.10419
   A87        2.10499   0.00031  -0.00925   0.00114  -0.00821   2.09678
   A88        2.09548  -0.00077  -0.00741  -0.00247  -0.01014   2.08534
   A89        2.07917   0.00053   0.01745   0.00333   0.02057   2.09973
   A90        2.13421   0.00002  -0.00356   0.00016  -0.00340   2.13081
   A91        2.09879   0.00034  -0.00866   0.00483  -0.00384   2.09494
   A92        2.04954  -0.00036   0.01245  -0.00505   0.00738   2.05692
   A93        2.13519  -0.00008  -0.00375  -0.00042  -0.00418   2.13101
   A94        2.09718   0.00040  -0.00798   0.00477  -0.00320   2.09398
   A95        2.05024  -0.00032   0.01169  -0.00441   0.00728   2.05753
   A96        2.10523   0.00034  -0.00968   0.00139  -0.00836   2.09687
   A97        2.07865   0.00053   0.01720   0.00327   0.02032   2.09897
   A98        2.09614  -0.00081  -0.00717  -0.00277  -0.01012   2.08602
   A99        2.05896   0.00015   0.01672  -0.00003   0.01681   2.07577
   A100       2.11285  -0.00029  -0.00783  -0.00145  -0.00934   2.10351
   A101       2.11138   0.00014  -0.00889   0.00148  -0.00747   2.10391
   A102       2.10528   0.00026  -0.00951   0.00092  -0.00867   2.09660
   A103       2.09593  -0.00078  -0.00713  -0.00259  -0.00997   2.08596
   A104       2.07875   0.00058   0.01736   0.00351   0.02067   2.09942
   A105       2.13531  -0.00002  -0.00375  -0.00008  -0.00383   2.13148
   A106       2.09906   0.00035  -0.00882   0.00490  -0.00393   2.09513
   A107       2.04825  -0.00032   0.01275  -0.00488   0.00785   2.05610
   A108       2.13274  -0.00013  -0.00372  -0.00070  -0.00444   2.12830
   A109       2.10089   0.00036  -0.00682   0.00427  -0.00254   2.09835
   A110       2.04914  -0.00022   0.01049  -0.00359   0.00690   2.05604
   A111       2.10501   0.00033  -0.00942   0.00131  -0.00817   2.09684
   A112       2.07944   0.00050   0.01724   0.00302   0.02012   2.09956
   A113       2.09576  -0.00078  -0.00755  -0.00249  -0.01021   2.08555
   A114       2.05989   0.00017   0.01631   0.00020   0.01663   2.07653
   A115       2.11179  -0.00028  -0.00807  -0.00131  -0.00944   2.10235
   A116       2.11150   0.00010  -0.00824   0.00110  -0.00720   2.10431
   A117       2.10530   0.00023  -0.00943   0.00084  -0.00867   2.09662
   A118       2.09603  -0.00073  -0.00724  -0.00232  -0.00982   2.08621
   A119       2.07848   0.00057   0.01743   0.00339   0.02060   2.09909
   A120       2.13279  -0.00010  -0.00355  -0.00046  -0.00401   2.12878
   A121       2.09625   0.00030  -0.00820   0.00430  -0.00392   2.09232
   A122       2.05351  -0.00020   0.01199  -0.00387   0.00810   2.06160
   A123       2.19994  -0.00007   0.00078   0.00016   0.00094   2.20088
   A124       2.20086  -0.00080   0.00258  -0.00467  -0.00210   2.19876
   A125       1.88237   0.00087  -0.00336   0.00451   0.00117   1.88354
   A126       2.20056  -0.00057   0.00233  -0.00316  -0.00084   2.19972
   A127       2.20039  -0.00030   0.00121  -0.00134  -0.00014   2.20026
   A128       1.88222   0.00086  -0.00354   0.00451   0.00099   1.88320
   A129       2.19997  -0.00014   0.00095  -0.00035   0.00059   2.20056
   A130       2.20100  -0.00075   0.00258  -0.00430  -0.00173   2.19927
   A131       1.88221   0.00090  -0.00352   0.00465   0.00115   1.88335
   A132       1.90018   0.00019   0.00088  -0.00084   0.00002   1.90020
   A133       2.27193  -0.00070  -0.01311  -0.00180  -0.01495   2.25698
   A134       2.10696   0.00055   0.01216   0.00387   0.01602   2.12298
   A135       1.87099  -0.00059   0.00093  -0.00134  -0.00042   1.87057
   A136       2.09873  -0.00070  -0.00818  -0.00363  -0.01182   2.08692
   A137       2.31333   0.00129   0.00724   0.00496   0.01220   2.32553
   A138       1.87074  -0.00057   0.00087  -0.00118  -0.00031   1.87043
   A139       2.31385   0.00124   0.00712   0.00458   0.01171   2.32556
   A140       2.09851  -0.00066  -0.00802  -0.00342  -0.01145   2.08706
   A141       1.90064   0.00011   0.00089  -0.00113  -0.00026   1.90038
   A142       2.27160  -0.00058  -0.01302  -0.00123  -0.01429   2.25731
   A143       2.10692   0.00050   0.01197   0.00357   0.01552   2.12244
   A144       1.90111   0.00009   0.00097  -0.00128  -0.00033   1.90078
   A145       2.27166  -0.00054  -0.01337  -0.00090  -0.01431   2.25735
   A146       2.10648   0.00048   0.01226   0.00337   0.01562   2.12210
   A147       1.87017  -0.00059   0.00076  -0.00113  -0.00037   1.86980
   A148       2.09863  -0.00066  -0.00826  -0.00334  -0.01161   2.08702
   A149       2.31428   0.00125   0.00748   0.00444   0.01192   2.32620
   A150       1.87034  -0.00061   0.00088  -0.00145  -0.00057   1.86977
   A151       2.31393   0.00133   0.00727   0.00521   0.01249   2.32643
   A152       2.09880  -0.00072  -0.00817  -0.00377  -0.01195   2.08685
   A153       1.90077   0.00024   0.00078  -0.00064   0.00011   1.90088
   A154       2.27213  -0.00080  -0.01285  -0.00232  -0.01521   2.25692
   A155       2.10626   0.00060   0.01202   0.00420   0.01620   2.12247
   A156       1.90095   0.00008   0.00104  -0.00136  -0.00034   1.90061
   A157       2.27169  -0.00052  -0.01331  -0.00088  -0.01422   2.25747
   A158       2.10660   0.00048   0.01212   0.00343   0.01554   2.12214
   A159       1.87039  -0.00057   0.00074  -0.00106  -0.00032   1.87007
   A160       2.09871  -0.00067  -0.00812  -0.00344  -0.01157   2.08714
   A161       2.31399   0.00124   0.00736   0.00447   0.01183   2.32582
   A162       1.87060  -0.00061   0.00089  -0.00146  -0.00057   1.87003
   A163       2.31364   0.00133   0.00718   0.00520   0.01240   2.32604
   A164       2.09883  -0.00072  -0.00809  -0.00376  -0.01186   2.08697
   A165       1.90061   0.00021   0.00087  -0.00076   0.00009   1.90071
   A166       2.27224  -0.00077  -0.01289  -0.00218  -0.01512   2.25712
   A167       2.10627   0.00059   0.01198   0.00419   0.01615   2.12242
   A168       2.07950  -0.00018   0.00153  -0.00067   0.00083   2.08033
   A169       2.09550   0.00049  -0.00408   0.00362  -0.00044   2.09506
   A170       2.10810  -0.00031   0.00254  -0.00292  -0.00037   2.10773
   A171       2.09610   0.00058   0.00178   0.00402   0.00574   2.10184
   A172       2.09592  -0.00027   0.00020  -0.00209  -0.00191   2.09401
   A173       2.09090  -0.00031  -0.00185  -0.00175  -0.00362   2.08728
   A174       2.12564  -0.00069   0.00090  -0.00436  -0.00349   2.12215
   A175       2.08809  -0.00008   0.00049  -0.00071  -0.00024   2.08784
   A176       2.06940   0.00078  -0.00130   0.00510   0.00379   2.07319
   A177       2.05697   0.00049  -0.00793   0.00204  -0.00594   2.05102
   A178       2.13005  -0.00071  -0.00812  -0.00286  -0.01103   2.11902
   A179       2.09545   0.00023   0.01622   0.00128   0.01746   2.11291
   A180       2.05665   0.00049  -0.00806   0.00195  -0.00615   2.05049
   A181       2.13070  -0.00073  -0.00835  -0.00303  -0.01144   2.11926
   A182       2.09506   0.00026   0.01660   0.00155   0.01810   2.11316
   A183       2.12601  -0.00072   0.00090  -0.00448  -0.00361   2.12239
   A184       2.06887   0.00080  -0.00137   0.00528   0.00389   2.07276
   A185       2.08823  -0.00008   0.00058  -0.00076  -0.00021   2.08802
   A186       2.09603   0.00059   0.00182   0.00410   0.00587   2.10189
   A187       2.09090  -0.00031  -0.00184  -0.00175  -0.00361   2.08729
   A188       2.09595  -0.00027   0.00016  -0.00216  -0.00203   2.09393
   A189       2.07930  -0.00017   0.00154  -0.00066   0.00086   2.08015
   A190       2.09550   0.00049  -0.00414   0.00366  -0.00047   2.09503
   A191       2.10828  -0.00031   0.00260  -0.00296  -0.00035   2.10793
   A192       2.07963  -0.00019   0.00161  -0.00072   0.00086   2.08049
   A193       2.09527   0.00049  -0.00421   0.00368  -0.00052   2.09475
   A194       2.10820  -0.00031   0.00260  -0.00293  -0.00031   2.10788
   A195       2.09573   0.00060   0.00178   0.00424   0.00595   2.10169
   A196       2.09611  -0.00028   0.00016  -0.00218  -0.00205   2.09406
   A197       2.09108  -0.00032  -0.00180  -0.00188  -0.00369   2.08738
   A198       2.12617  -0.00074   0.00097  -0.00460  -0.00366   2.12251
   A199       2.08796  -0.00007   0.00041  -0.00064  -0.00025   2.08770
   A200       2.06900   0.00081  -0.00128   0.00527   0.00397   2.07297
   A201       2.05708   0.00048  -0.00797   0.00185  -0.00617   2.05091
   A202       2.12954  -0.00075  -0.00875  -0.00308  -0.01189   2.11765
   A203       2.09586   0.00028   0.01692   0.00168   0.01855   2.11441
   A204       2.05709   0.00050  -0.00806   0.00211  -0.00600   2.05110
   A205       2.12940  -0.00070  -0.00860  -0.00271  -0.01135   2.11805
   A206       2.09593   0.00022   0.01682   0.00106   0.01784   2.11377
   A207       2.12600  -0.00069   0.00085  -0.00437  -0.00355   2.12246
   A208       2.06920   0.00077  -0.00102   0.00503   0.00400   2.07320
   A209       2.08791  -0.00008   0.00026  -0.00064  -0.00039   2.08752
   A210       2.09580   0.00060   0.00186   0.00405   0.00586   2.10166
   A211       2.09101  -0.00032  -0.00196  -0.00174  -0.00372   2.08729
   A212       2.09608  -0.00028   0.00021  -0.00213  -0.00193   2.09415
   A213       2.07968  -0.00019   0.00155  -0.00070   0.00082   2.08050
   A214       2.09534   0.00049  -0.00389   0.00359  -0.00029   2.09505
   A215       2.10807  -0.00030   0.00234  -0.00286  -0.00051   2.10756
   A216       2.07959  -0.00019   0.00158  -0.00071   0.00083   2.08043
   A217       2.09535   0.00049  -0.00405   0.00362  -0.00042   2.09494
   A218       2.10814  -0.00030   0.00247  -0.00287  -0.00038   2.10776
   A219       2.09576   0.00060   0.00177   0.00423   0.00593   2.10169
   A220       2.09610  -0.00028   0.00018  -0.00221  -0.00205   2.09405
   A221       2.09102  -0.00031  -0.00180  -0.00182  -0.00364   2.08738
   A222       2.12606  -0.00073   0.00096  -0.00455  -0.00363   2.12243
   A223       2.08800  -0.00007   0.00047  -0.00067  -0.00022   2.08778
   A224       2.06904   0.00081  -0.00131   0.00526   0.00392   2.07297
   A225       2.05711   0.00048  -0.00794   0.00182  -0.00617   2.05094
   A226       2.12991  -0.00074  -0.00862  -0.00303  -0.01170   2.11821
   A227       2.09540   0.00028   0.01675   0.00169   0.01838   2.11378
   A228       2.05699   0.00050  -0.00804   0.00212  -0.00595   2.05103
   A229       2.13007  -0.00072  -0.00843  -0.00285  -0.01134   2.11872
   A230       2.09544   0.00023   0.01665   0.00117   0.01777   2.11321
   A231       2.12596  -0.00069   0.00089  -0.00437  -0.00351   2.12246
   A232       2.06900   0.00080  -0.00141   0.00528   0.00385   2.07285
   A233       2.08816  -0.00010   0.00061  -0.00088  -0.00029   2.08787
   A234       2.09591   0.00058   0.00183   0.00399   0.00576   2.10167
   A235       2.09096  -0.00031  -0.00188  -0.00170  -0.00360   2.08736
   A236       2.09605  -0.00027   0.00018  -0.00211  -0.00195   2.09410
   A237       2.07953  -0.00017   0.00151  -0.00060   0.00088   2.08041
   A238       2.09538   0.00049  -0.00411   0.00363  -0.00047   2.09492
   A239       2.10819  -0.00032   0.00260  -0.00301  -0.00039   2.10780
   A240       2.03816  -0.00042   0.00161  -0.00006   0.00140   2.03956
   A241       1.87546  -0.00160  -0.04215  -0.02203  -0.06235   1.81311
   A242       1.66484   0.00529  -0.03532   0.04894   0.01353   1.67837
   A243       2.04013   0.00035   0.04079  -0.00665   0.03167   2.07180
   A244       2.05174  -0.00324   0.01383  -0.02006  -0.00732   2.04442
   A245       1.73714   0.00042   0.01013   0.00909   0.01784   1.75499
   A246       2.21163   0.00133   0.02010   0.00006   0.01746   2.22909
   A247       2.07080   0.00042   0.00306   0.00005   0.00311   2.07391
   A248       1.85926  -0.00007  -0.00834   0.00411  -0.00354   1.85572
   A249       1.90243  -0.00031  -0.00653  -0.00656  -0.01281   1.88963
   A250       1.90444  -0.00037   0.00035  -0.00851  -0.00925   1.89519
   A251       1.94098   0.00083   0.01404   0.00674   0.02015   1.96113
   A252       1.95522   0.00063   0.00798   0.00511   0.01359   1.96881
   A253       1.90036  -0.00074  -0.00785  -0.00147  -0.00962   1.89074
   A254       1.89819   0.00070  -0.00657   0.00625  -0.00034   1.89785
   A255       1.94477  -0.00041   0.00066  -0.00328  -0.00262   1.94215
   A256       1.94135  -0.00028  -0.00096  -0.00147  -0.00244   1.93890
   A257       1.89289  -0.00019   0.00172  -0.00188  -0.00018   1.89271
   A258       1.89240  -0.00024   0.00136  -0.00192  -0.00059   1.89181
   A259       1.89297   0.00042   0.00397   0.00226   0.00623   1.89920
   A260       1.87995   0.00031   0.00035  -0.00101  -0.00064   1.87930
   A261       1.90590  -0.00035  -0.00233  -0.00443  -0.00677   1.89913
   A262       1.90169  -0.00048  -0.00798  -0.00377  -0.01175   1.88995
   A263       1.94304  -0.00008   0.00403   0.00016   0.00414   1.94718
   A264       1.95351   0.00000   0.00878  -0.00067   0.00806   1.96157
   A265       1.87917   0.00056  -0.00322   0.00939   0.00601   1.88518
   A266       1.93444   0.00005  -0.00239   0.00121  -0.00118   1.93326
   A267       1.91233   0.00026  -0.00252   0.00172  -0.00080   1.91153
   A268       1.93569   0.00007  -0.00169   0.00136  -0.00033   1.93536
   A269       1.89387  -0.00019   0.00188  -0.00207  -0.00020   1.89367
   A270       1.89265  -0.00002   0.00300  -0.00065   0.00235   1.89500
   A271       1.89386  -0.00018   0.00196  -0.00174   0.00022   1.89408
   A272       1.86308   0.00127   0.01038   0.01026   0.02108   1.88417
   A273       1.74503  -0.00031  -0.00215  -0.00055  -0.00332   1.74171
   A274       1.54330  -0.00098  -0.00479  -0.00627  -0.01530   1.52800
   A275       1.75565  -0.00053  -0.00851   0.00131  -0.01102   1.74463
   A276       1.09257  -0.00037  -0.00193   0.00023  -0.00168   1.09089
   A277       1.33222  -0.00044  -0.00703  -0.00607  -0.01293   1.31929
   A278       0.59142   0.00033   0.00130   0.00599   0.00734   0.59876
    D1        0.00506   0.00020   0.00617   0.00338   0.00950   0.01455
    D2       -3.12736  -0.00020  -0.00127  -0.00628  -0.00764  -3.13500
    D3        3.13416   0.00025   0.00872   0.00400   0.01271  -3.13632
    D4        0.00175  -0.00015   0.00128  -0.00566  -0.00444  -0.00269
    D5        0.01268  -0.00028  -0.00519  -0.00682  -0.01197   0.00071
    D6        3.13482  -0.00022  -0.00070  -0.00598  -0.00670   3.12812
    D7       -3.11642  -0.00034  -0.00771  -0.00748  -0.01520  -3.13162
    D8        0.00571  -0.00027  -0.00322  -0.00664  -0.00992  -0.00421
    D9        3.02402  -0.00136  -0.01905  -0.03776  -0.05679   2.96724
   D10       -0.12152  -0.00130  -0.01590  -0.03737  -0.05329  -0.17480
   D11       -0.13056  -0.00132  -0.01627  -0.03718  -0.05342  -0.18398
   D12        3.00709  -0.00126  -0.01311  -0.03679  -0.04992   2.95716
   D13       -0.02167   0.00016  -0.00103   0.00566   0.00466  -0.01701
   D14       -3.07977   0.00046   0.00632   0.01328   0.01942  -3.06035
   D15        3.11075   0.00056   0.00646   0.01531   0.02179   3.13254
   D16        0.05265   0.00086   0.01381   0.02292   0.03655   0.08920
   D17        0.02070  -0.00046  -0.00515  -0.01144  -0.01655   0.00415
   D18       -3.13340  -0.00024  -0.00227  -0.00988  -0.01192   3.13787
   D19        3.08179  -0.00073  -0.01247  -0.01862  -0.03087   3.05092
   D20       -0.07231  -0.00051  -0.00959  -0.01706  -0.02625  -0.09856
   D21        3.04849   0.00095   0.00805   0.02521   0.03348   3.08197
   D22       -0.05794   0.00161   0.02462   0.04251   0.06702   0.00908
   D23       -0.00938   0.00130   0.01539   0.03298   0.04838   0.03900
   D24       -3.11581   0.00196   0.03196   0.05027   0.08192  -3.03389
   D25       -0.00377   0.00036   0.00626   0.00815   0.01437   0.01060
   D26        3.12885   0.00022   0.00158   0.00537   0.00707   3.13593
   D27       -3.13303   0.00015   0.00333   0.00663   0.00979  -3.12324
   D28       -0.00041   0.00000  -0.00134   0.00385   0.00250   0.00209
   D29       -0.02689  -0.00122  -0.01780  -0.03003  -0.04764  -0.07454
   D30        3.09198  -0.00116  -0.01157  -0.02253  -0.03421   3.05777
   D31        3.10216  -0.00101  -0.01480  -0.02851  -0.04298   3.05918
   D32       -0.06215  -0.00095  -0.00857  -0.02100  -0.02955  -0.09170
   D33       -0.01340  -0.00001  -0.00087   0.00111   0.00023  -0.01317
   D34       -3.13590  -0.00008  -0.00492   0.00017  -0.00485  -3.14075
   D35        3.13743   0.00014   0.00395   0.00389   0.00794  -3.13782
   D36        0.01492   0.00007  -0.00010   0.00295   0.00286   0.01778
   D37        0.19149  -0.00014   0.00543  -0.00004   0.00483   0.19632
   D38       -2.86575   0.00005   0.00460   0.00725   0.01125  -2.85450
   D39       -2.98427  -0.00074  -0.01067  -0.01668  -0.02748  -3.01175
   D40        0.24168  -0.00055  -0.01151  -0.00938  -0.02107   0.22061
   D41        2.99521  -0.00061  -0.01678  -0.01649  -0.03298   2.96223
   D42       -0.12295  -0.00008  -0.00427  -0.00406  -0.00817  -0.13112
   D43       -0.11199   0.00003  -0.00057   0.00045  -0.00010  -0.11209
   D44        3.05304   0.00056   0.01194   0.01288   0.02472   3.07775
   D45       -0.28842  -0.00161  -0.03404  -0.04623  -0.08026  -0.36868
   D46        2.93838  -0.00005   0.00546   0.00617   0.01092   2.94930
   D47        1.26695  -0.00363  -0.05840  -0.07227  -0.13118   1.13577
   D48        2.76349  -0.00167  -0.03263  -0.05359  -0.08614   2.67735
   D49       -0.29290  -0.00011   0.00687  -0.00119   0.00504  -0.28786
   D50       -1.96433  -0.00369  -0.05698  -0.07963  -0.13706  -2.10139
   D51       -0.18872   0.00056   0.01790   0.01056   0.02857  -0.16016
   D52        2.87629   0.00054   0.00977   0.01272   0.02269   2.89898
   D53        3.04051   0.00059   0.01738   0.01745   0.03498   3.07549
   D54       -0.17766   0.00056   0.00925   0.01961   0.02911  -0.14855
   D55        0.20742   0.00205   0.04020   0.06024   0.10037   0.30779
   D56       -2.90991   0.00190   0.03353   0.05195   0.08589  -2.82402
   D57       -3.01400   0.00051   0.00305   0.01140   0.01303  -3.00097
   D58        0.15185   0.00036  -0.00362   0.00311  -0.00145   0.15040
   D59       -1.60201   0.00220   0.04642   0.06657   0.11339  -1.48862
   D60        1.56384   0.00204   0.03975   0.05828   0.09891   1.66275
   D61        2.84188  -0.00201  -0.04082  -0.03946  -0.07976   2.76212
   D62       -0.55870  -0.00419  -0.07404  -0.11646  -0.19020  -0.74890
   D63       -0.21565  -0.00040  -0.00188   0.01280   0.01122  -0.20443
   D64        2.66695  -0.00258  -0.03510  -0.06421  -0.09922   2.56773
   D65        2.32542   0.00224   0.00637   0.08069   0.09034   2.41576
   D66        1.77062   0.00208   0.00385   0.07720   0.08460   1.85522
   D67       -1.90388   0.00119   0.00800   0.06406   0.07416  -1.82973
   D68       -2.45869   0.00103   0.00549   0.06057   0.06842  -2.39027
   D69       -3.13464  -0.00009   0.00566  -0.01542  -0.00908   3.13947
   D70       -0.01677   0.00000   0.01190  -0.00747   0.00492  -0.01185
   D71       -0.08127   0.00041   0.00916   0.00678   0.01595  -0.06532
   D72        3.09861   0.00041   0.01153   0.00829   0.01985   3.11846
   D73        3.03672  -0.00011  -0.00345  -0.00567  -0.00910   3.02762
   D74       -0.06659  -0.00011  -0.00108  -0.00416  -0.00519  -0.07178
   D75        0.14160  -0.00028  -0.00366  -0.00521  -0.00885   0.13275
   D76       -3.01883  -0.00034  -0.00149  -0.00563  -0.00706  -3.02589
   D77       -3.03838  -0.00026  -0.00609  -0.00664  -0.01273  -3.05111
   D78        0.08438  -0.00032  -0.00393  -0.00706  -0.01095   0.07343
   D79        3.06042  -0.00094  -0.01324  -0.02663  -0.03983   3.02059
   D80       -0.10238  -0.00079  -0.00800  -0.02396  -0.03197  -0.13435
   D81       -0.04097  -0.00090  -0.01101  -0.02488  -0.03588  -0.07684
   D82        3.07942  -0.00076  -0.00577  -0.02220  -0.02802   3.05141
   D83       -0.00591  -0.00043  -0.00994  -0.00416  -0.01407  -0.01998
   D84       -3.07132  -0.00041  -0.00093  -0.00665  -0.00731  -3.07863
   D85       -3.12911  -0.00038  -0.01179  -0.00386  -0.01572   3.13835
   D86        0.08866  -0.00036  -0.00278  -0.00634  -0.00895   0.07970
   D87        0.15736  -0.00021  -0.00039  -0.02326  -0.02365   0.13371
   D88       -2.90517  -0.00073   0.00702  -0.04222  -0.03517  -2.94034
   D89       -2.73255   0.00111   0.03609   0.03891   0.07533  -2.65723
   D90        0.48810   0.00059   0.04350   0.01996   0.06380   0.55191
   D91       -1.07735   0.00186   0.04446   0.03072   0.07441  -1.00295
   D92        2.14331   0.00134   0.05187   0.01176   0.06288   2.20619
   D93       -0.15341   0.00199   0.07357   0.04994   0.12317  -0.03025
   D94       -2.48538   0.00345   0.05487   0.08156   0.13691  -2.34847
   D95        2.02156   0.00146   0.06657   0.05880   0.12418   2.14575
   D96        2.73019   0.00041   0.03808  -0.01938   0.01875   2.74894
   D97        0.39822   0.00187   0.01938   0.01224   0.03249   0.43072
   D98       -1.37802  -0.00012   0.03108  -0.01052   0.01976  -1.35826
   D99        0.95033  -0.00066   0.01636  -0.03467  -0.01602   0.93431
   D100      -1.38164   0.00080  -0.00234  -0.00306  -0.00228  -1.38391
   D101       3.12531  -0.00119   0.00936  -0.02581  -0.01501   3.11030
   D102      -0.91943   0.00295  -0.00398   0.05670   0.05047  -0.86896
   D103      -1.49983   0.00243  -0.00892   0.04608   0.03514  -1.46469
   D104       1.15305  -0.00019   0.01494   0.00481   0.01778   1.17083
   D105       0.57265  -0.00071   0.01000  -0.00581   0.00245   0.57510
   D106      -0.02082   0.00067   0.00775   0.01963   0.02695   0.00613
   D107       3.12022   0.00055   0.00977   0.01099   0.02053   3.14075
   D108       3.04693   0.00087   0.00080   0.03571   0.03633   3.08326
   D109      -0.09522   0.00075   0.00282   0.02707   0.02991  -0.06531
   D110      -3.13602  -0.00020  -0.01366  -0.00669  -0.02046   3.12670
   D111       0.04151  -0.00040  -0.00687  -0.01477  -0.02181   0.01970
   D112       0.08411  -0.00073  -0.00593  -0.02560  -0.03155   0.05256
   D113      -3.02154  -0.00092   0.00085  -0.03368  -0.03290  -3.05444
   D114      -0.04936  -0.00046  -0.01361  -0.00405  -0.01752  -0.06688
   D115       3.09277  -0.00035  -0.01558   0.00436  -0.01120   3.08157
   D116       0.03159  -0.00017   0.00427  -0.00829  -0.00401   0.02757
   D117      -3.12853  -0.00026  -0.00245  -0.00676  -0.00918  -3.13771
   D118      -3.11053  -0.00028   0.00622  -0.01648  -0.01015  -3.12069
   D119       0.01254  -0.00038  -0.00050  -0.01495  -0.01532  -0.00279
   D120      -0.00908   0.00029   0.00205   0.00595   0.00785  -0.00123
   D121       3.13644   0.00022   0.00899   0.00204   0.01102  -3.13572
   D122       3.09737   0.00042  -0.00480   0.01350   0.00850   3.10587
   D123      -0.04029   0.00036   0.00214   0.00959   0.01167  -0.02862
   D124      -0.05546   0.00047   0.00486   0.01393   0.01872  -0.03674
   D125       3.10237   0.00025   0.00798   0.00494   0.01292   3.11528
   D126       3.08210   0.00054  -0.00235   0.01791   0.01550   3.09760
   D127      -0.04325   0.00031   0.00078   0.00892   0.00970  -0.03356
   D128       0.04338  -0.00051  -0.00793  -0.01251  -0.02036   0.02302
   D129      -3.07834  -0.00040  -0.00071  -0.01412  -0.01473  -3.09307
   D130      -3.11452  -0.00028  -0.01107  -0.00348  -0.01454  -3.12906
   D131       0.04694  -0.00017  -0.00386  -0.00509  -0.00891   0.03803
   D132       0.09997   0.00126   0.01497   0.03586   0.05076   0.15074
   D133      -3.02948   0.00114   0.00990   0.03405   0.04396  -2.98552
   D134      -3.02444   0.00104   0.01823   0.02637   0.04459  -2.97986
   D135       0.12929   0.00092   0.01316   0.02456   0.03779   0.16708
   D136       3.13203   0.00028   0.00659   0.00634   0.01298  -3.13817
   D137      -0.04682   0.00019   0.00532   0.00469   0.01013  -0.03669
   D138      -0.00584   0.00023   0.00369   0.00597   0.00969   0.00385
   D139       3.09849   0.00014   0.00242   0.00432   0.00684   3.10533
   D140      -3.13327  -0.00002  -0.00493   0.00180  -0.00305  -3.13633
   D141      -0.02849  -0.00003   0.00074  -0.00052   0.00028  -0.02821
   D142       0.00458   0.00004  -0.00200   0.00217   0.00026   0.00484
   D143       3.10936   0.00003   0.00367  -0.00015   0.00360   3.11295
   D144       3.12034   0.00045   0.01064   0.00995   0.02067   3.14101
   D145      -0.04352   0.00036   0.00825   0.00874   0.01713  -0.02639
   D146      -0.00124   0.00030   0.00594   0.00740   0.01334   0.01211
   D147       3.11809   0.00022   0.00355   0.00619   0.00981   3.12790
   D148      -3.12289  -0.00017  -0.00905  -0.00119  -0.01016  -3.13305
   D149      -0.02104  -0.00016  -0.00256  -0.00309  -0.00558  -0.02662
   D150      -0.00140  -0.00002  -0.00427   0.00139  -0.00276  -0.00416
   D151       3.10045  -0.00001   0.00223  -0.00050   0.00182   3.10226
   D152      -3.12901  -0.00036  -0.00886  -0.00761  -0.01653   3.13764
   D153       0.04467  -0.00029  -0.00684  -0.00688  -0.01386   0.03081
   D154       0.00104  -0.00023  -0.00423  -0.00587  -0.01011  -0.00907
   D155      -3.10846  -0.00016  -0.00221  -0.00515  -0.00743  -3.11590
   D156       3.13002   0.00009   0.00757  -0.00064   0.00686   3.13688
   D157       0.02797   0.00005   0.00085   0.00043   0.00123   0.02920
   D158      -0.00009  -0.00003   0.00292  -0.00236   0.00046   0.00037
   D159      -3.10215  -0.00007  -0.00381  -0.00128  -0.00517  -3.10732
   D160       0.00026  -0.00029  -0.00241  -0.00872  -0.01118  -0.01092
   D161       3.06171   0.00046   0.00080   0.01625   0.01733   3.07904
   D162      -3.11964  -0.00022   0.00010  -0.00766  -0.00762  -3.12725
   D163      -0.05818   0.00053   0.00330   0.01730   0.02089  -0.03730
   D164       0.00326  -0.00001  -0.00299   0.00103  -0.00190   0.00136
   D165      -3.13645   0.00002  -0.00361   0.00243  -0.00111  -3.13755
   D166      -3.05749  -0.00083  -0.00742  -0.02440  -0.03155  -3.08903
   D167       0.08599  -0.00079  -0.00804  -0.02300  -0.03075   0.05524
   D168      -0.00583   0.00029   0.00465   0.00753   0.01219   0.00636
   D169      -3.05617  -0.00062  -0.00576  -0.01836  -0.02374  -3.07991
   D170       3.13388   0.00026   0.00527   0.00613   0.01140  -3.13791
   D171       0.08354  -0.00066  -0.00514  -0.01976  -0.02454   0.05900
   D172       0.64362   0.00286   0.08242   0.04275   0.12517   0.76879
   D173      -2.50581   0.00293   0.08363   0.04418   0.12780  -2.37801
   D174      -2.49603   0.00289   0.08174   0.04420   0.12595  -2.37008
   D175       0.63773   0.00296   0.08295   0.04563   0.12858   0.76631
   D176       0.00503  -0.00028  -0.00103  -0.00889  -0.00994  -0.00491
   D177      -3.09789  -0.00030  -0.00678  -0.00726  -0.01419  -3.11207
   D178       3.05621   0.00056   0.00780   0.01646   0.02469   3.08090
   D179      -0.04671   0.00053   0.00204   0.01809   0.02045  -0.02626
   D180       0.00156  -0.00027  -0.00232  -0.00801  -0.01038  -0.00882
   D181       3.05773   0.00050   0.00182   0.01723   0.01936   3.07709
   D182      -3.10372  -0.00019  -0.00072  -0.00659  -0.00738  -3.11110
   D183      -0.04755   0.00057   0.00342   0.01865   0.02236  -0.02519
   D184       0.00417   0.00004  -0.00092   0.00173   0.00087   0.00503
   D185      -3.13770   0.00010  -0.00158   0.00408   0.00256  -3.13515
   D186      -3.05115  -0.00080  -0.00638  -0.02406  -0.03014  -3.08129
   D187       0.09017  -0.00074  -0.00704  -0.02171  -0.02845   0.06172
   D188      -0.00540   0.00022   0.00259   0.00619   0.00880   0.00340
   D189      -3.05997  -0.00066  -0.00726  -0.01873  -0.02564  -3.08561
   D190       3.13647   0.00016   0.00325   0.00384   0.00711  -3.13960
   D191       0.08190  -0.00072  -0.00660  -0.02108  -0.02733   0.05457
   D192      -2.49991   0.00309   0.08512   0.04841   0.13352  -2.36639
   D193       0.64513   0.00306   0.08484   0.04758   0.13243   0.77756
   D194       0.64140   0.00315   0.08442   0.05082   0.13524   0.77664
   D195      -2.49674   0.00312   0.08415   0.05000   0.13415  -2.36259
   D196       0.00098  -0.00026  -0.00114  -0.00831  -0.00949  -0.00851
   D197      -3.10482  -0.00027  -0.00613  -0.00625  -0.01252  -3.11734
   D198       3.05639   0.00054   0.00722   0.01607   0.02370   3.08010
   D199      -0.04940   0.00054   0.00224   0.01813   0.02067  -0.02873
   D200       0.00032   0.00026   0.00190   0.00807   0.01001   0.01033
   D201      -3.05854  -0.00049  -0.00146  -0.01731  -0.01907  -3.07761
   D202       3.11072   0.00021  -0.00032   0.00750   0.00724   3.11796
   D203       0.05186  -0.00055  -0.00368  -0.01787  -0.02183   0.03003
   D204      -0.00257  -0.00003   0.00188  -0.00186  -0.00004  -0.00261
   D205       3.13802  -0.00007   0.00287  -0.00381  -0.00100   3.13702
   D206       3.05552   0.00080   0.00651   0.02402   0.03024   3.08576
   D207      -0.08708   0.00076   0.00751   0.02206   0.02928  -0.05780
   D208       0.00349  -0.00023  -0.00317  -0.00617  -0.00936  -0.00587
   D209       3.05601   0.00066   0.00700   0.01907   0.02572   3.08173
   D210      -3.13710  -0.00019  -0.00417  -0.00421  -0.00839   3.13769
   D211      -0.08458   0.00070   0.00600   0.02103   0.02668  -0.05789
   D212       2.50327  -0.00305  -0.08483  -0.04736  -0.13217   2.37110
   D213      -0.64299  -0.00299  -0.08391  -0.04598  -0.12989  -0.77289
   D214      -0.63936  -0.00309  -0.08376  -0.04937  -0.13313  -0.77249
   D215       2.49757  -0.00303  -0.08285  -0.04800  -0.13086   2.36671
   D216      -0.00221   0.00026   0.00078   0.00844   0.00925   0.00704
   D217       3.10077   0.00031   0.00680   0.00757   0.01453   3.11530
   D218      -3.05562  -0.00056  -0.00786  -0.01627  -0.02454  -3.08016
   D219       0.04736  -0.00050  -0.00184  -0.01714  -0.01926   0.02810
   D220      -3.13719  -0.00003  -0.00118  -0.00035  -0.00152  -3.13871
   D221       0.10119  -0.00047  -0.00032  -0.01509  -0.01534   0.08586
   D222       0.00147  -0.00001  -0.00094   0.00034  -0.00060   0.00087
   D223      -3.04333  -0.00044  -0.00008  -0.01440  -0.01442  -3.05775
   D224       3.14008  -0.00007  -0.00077  -0.00165  -0.00242   3.13766
   D225       0.09628  -0.00054  -0.00091  -0.01698  -0.01780   0.07848
   D226       0.00142  -0.00009  -0.00101  -0.00235  -0.00335  -0.00193
   D227      -3.04238  -0.00057  -0.00115  -0.01768  -0.01872  -3.06110
   D228       3.13773  -0.00000   0.00029  -0.00015   0.00014   3.13787
   D229       0.09506  -0.00046   0.00025  -0.01523  -0.01489   0.08018
   D230       0.00279  -0.00006  -0.00076  -0.00134  -0.00209   0.00070
   D231      -3.03988  -0.00052  -0.00080  -0.01642  -0.01712  -3.05699
   D232      -3.13509  -0.00010  -0.00233  -0.00184  -0.00416  -3.13925
   D233       0.10440  -0.00053  -0.00116  -0.01660  -0.01770   0.08670
   D234      -0.00015  -0.00004  -0.00128  -0.00065  -0.00194  -0.00209
   D235      -3.04384  -0.00047  -0.00011  -0.01541  -0.01547  -3.05931
   D236       3.13719   0.00007   0.00202   0.00114   0.00315   3.14034
   D237      -0.10123   0.00050   0.00104   0.01592   0.01689  -0.08435
   D238      -0.00044   0.00002   0.00122  -0.00000   0.00122   0.00078
   D239       3.04432   0.00045   0.00024   0.01477   0.01496   3.05928
   D240      -3.14005   0.00003   0.00008   0.00086   0.00094  -3.13911
   D241      -0.09671   0.00051   0.00045   0.01624   0.01659  -0.08012
   D242      -0.00242   0.00008   0.00087   0.00202   0.00287   0.00045
   D243       3.04092   0.00056   0.00124   0.01740   0.01852   3.05944
   D244      -0.00427   0.00013   0.00243   0.00277   0.00518   0.00091
   D245      -3.13042   0.00016   0.00348   0.00348   0.00688  -3.12354
   D246       3.04942   0.00046   0.00087   0.01582   0.01686   3.06628
   D247      -0.07673   0.00049   0.00192   0.01653   0.01855  -0.05818
   D248       3.10414   0.00004  -0.00423   0.00186  -0.00247   3.10167
   D249       0.00495  -0.00042  -0.00944  -0.01092  -0.02026  -0.01531
   D250       0.07147  -0.00044  -0.00354  -0.01447  -0.01812   0.05335
   D251      -3.02771  -0.00090  -0.00876  -0.02726  -0.03591  -3.06363
   D252       0.00412  -0.00016  -0.00317  -0.00313  -0.00629  -0.00217
   D253       3.13126  -0.00026  -0.00563  -0.00503  -0.01069   3.12057
   D254       3.12760  -0.00022  -0.00457  -0.00408  -0.00864   3.11896
   D255      -0.02845  -0.00033  -0.00703  -0.00598  -0.01304  -0.04149
   D256       0.02673  -0.00016  -0.00022  -0.00624  -0.00643   0.02030
   D257      -3.13021  -0.00011   0.00037  -0.00377  -0.00337  -3.13358
   D258      -3.09483  -0.00010   0.00124  -0.00523  -0.00398  -3.09881
   D259       0.03141  -0.00004   0.00183  -0.00275  -0.00092   0.03049
   D260      -0.00246   0.00012   0.00276   0.00234   0.00509   0.00263
   D261       3.05212   0.00044   0.00019   0.01517   0.01550   3.06762
   D262      -3.13173   0.00019   0.00475   0.00388   0.00856  -3.12317
   D263      -0.07715   0.00051   0.00219   0.01672   0.01897  -0.05818
   D264      -3.09887  -0.00005   0.00276  -0.00432  -0.00151  -3.10037
   D265       0.02878  -0.00001   0.00233  -0.00197   0.00039   0.02917
   D266       0.02674  -0.00017   0.00010  -0.00640  -0.00624   0.02050
   D267      -3.12880  -0.00012  -0.00033  -0.00405  -0.00434  -3.13314
   D268       3.10587  -0.00000  -0.00604   0.00148  -0.00461   3.10125
   D269       0.00494  -0.00047  -0.01092  -0.01164  -0.02244  -0.01750
   D270       0.07205  -0.00045  -0.00405  -0.01451  -0.01864   0.05341
   D271      -3.02888  -0.00092  -0.00893  -0.02763  -0.03646  -3.06534
   D272      -0.00371   0.00010   0.00246   0.00174   0.00420   0.00049
   D273      -3.13200   0.00017   0.00428   0.00328   0.00749  -3.12451
   D274       3.05189   0.00042   0.00014   0.01459   0.01487   3.06676
   D275      -0.07640   0.00049   0.00196   0.01613   0.01816  -0.05824
   D276       3.10600   0.00002  -0.00531   0.00185  -0.00352   3.10248
   D277       0.00624  -0.00043  -0.00983  -0.01076  -0.02048  -0.01423
   D278       0.07091  -0.00043  -0.00365  -0.01411  -0.01785   0.05306
   D279      -3.02884  -0.00088  -0.00817  -0.02672  -0.03481  -3.06365
   D280       0.00452  -0.00016  -0.00303  -0.00315  -0.00617  -0.00165
   D281       3.12968  -0.00022  -0.00459  -0.00395  -0.00852   3.12116
   D282       3.13049  -0.00026  -0.00531  -0.00505  -0.01038   3.12012
   D283      -0.02753  -0.00032  -0.00686  -0.00585  -0.01273  -0.04026
   D284       0.02676  -0.00016   0.00002  -0.00607  -0.00600   0.02076
   D285      -3.12935  -0.00012  -0.00042  -0.00397  -0.00435  -3.13370
   D286      -3.09756  -0.00005   0.00247  -0.00400  -0.00149  -3.09905
   D287       0.02951  -0.00001   0.00203  -0.00189   0.00017   0.02968
   D288      -0.00368   0.00015   0.00250   0.00340   0.00589   0.00221
   D289       3.05107   0.00049   0.00108   0.01662   0.01787   3.06894
   D290      -3.13126   0.00019   0.00369   0.00399   0.00760  -3.12366
   D291      -0.07651   0.00052   0.00227   0.01720   0.01958  -0.05693
   D292      -3.09693  -0.00010   0.00174  -0.00544  -0.00369  -3.10062
   D293       0.03047  -0.00004   0.00190  -0.00291  -0.00100   0.02946
   D294       0.02649  -0.00016   0.00010  -0.00630  -0.00616   0.02033
   D295      -3.12930  -0.00011   0.00026  -0.00376  -0.00347  -3.13277
   D296       3.10537   0.00003  -0.00460   0.00139  -0.00331   3.10205
   D297       0.00394  -0.00046  -0.01018  -0.01179  -0.02185  -0.01791
   D298       0.07138  -0.00047  -0.00403  -0.01520  -0.01935   0.05204
   D299      -3.03004  -0.00095  -0.00961  -0.02838  -0.03789  -3.06793
   D300       0.00305  -0.00011  -0.00278  -0.00195  -0.00472  -0.00167
   D301       3.13178  -0.00017  -0.00447  -0.00340  -0.00780   3.12397
   D302      -3.05251  -0.00043  -0.00037  -0.01483  -0.01533  -3.06784
   D303       0.07622  -0.00049  -0.00206  -0.01628  -0.01841   0.05780
   D304      -3.10618  -0.00001   0.00545  -0.00165   0.00387  -3.10231
   D305      -0.00445   0.00045   0.01066   0.01106   0.02160   0.01715
   D306      -0.07115   0.00044   0.00368   0.01435   0.01812  -0.05303
   D307       3.03058   0.00090   0.00889   0.02707   0.03585   3.06643
   D308      -0.00448   0.00016   0.00326   0.00315   0.00640   0.00192
   D309      -3.12912   0.00023   0.00474   0.00409   0.00882  -3.12031
   D310      -3.13097   0.00026   0.00537   0.00495   0.01035  -3.12063
   D311       0.02756   0.00032   0.00686   0.00589   0.01276   0.04033
   D312      -0.02648   0.00016   0.00017   0.00601   0.00613  -0.02034
   D313       3.12875   0.00012   0.00015   0.00401   0.00412   3.13287
   D314       3.09842   0.00006  -0.00210   0.00405   0.00191   3.10033
   D315      -0.02954   0.00002  -0.00212   0.00204  -0.00011  -0.02964
   D316       0.00427  -0.00015  -0.00256  -0.00320  -0.00574  -0.00147
   D317      -3.05008  -0.00049  -0.00132  -0.01647  -0.01797  -3.06805
   D318       3.13141  -0.00018  -0.00368  -0.00390  -0.00750   3.12391
   D319       0.07706  -0.00052  -0.00245  -0.01717  -0.01973   0.05733
   D320       3.09626   0.00009  -0.00167   0.00533   0.00365   3.09991
   D321      -0.03020   0.00004  -0.00198   0.00274   0.00075  -0.02944
   D322      -0.02659   0.00016  -0.00011   0.00633   0.00618  -0.02041
   D323       3.13014   0.00010  -0.00042   0.00374   0.00329   3.13342
   D324      -3.10544  -0.00003   0.00475  -0.00150   0.00337  -3.10208
   D325      -0.00583   0.00045   0.01005   0.01171   0.02165   0.01582
   D326      -0.07198   0.00047   0.00444   0.01514   0.01971  -0.05227
   D327       3.02764   0.00095   0.00974   0.02835   0.03799   3.06563
   D328       0.02561  -0.00018  -0.00116  -0.00536  -0.00650   0.01911
   D329      -3.14113   0.00013   0.00368   0.00288   0.00657  -3.13456
   D330      -3.10193  -0.00023  -0.00067  -0.00779  -0.00842  -3.11035
   D331       0.01451   0.00008   0.00417   0.00046   0.00466   0.01917
   D332      -0.02977   0.00019  -0.00083   0.00724   0.00640  -0.02337
   D333       3.09942   0.00037   0.00520   0.01024   0.01542   3.11484
   D334       3.13690  -0.00012  -0.00570  -0.00097  -0.00665   3.13025
   D335      -0.01710   0.00007   0.00033   0.00202   0.00237  -0.01473
   D336      -0.01936   0.00014   0.00381   0.00286   0.00655  -0.01281
   D337       3.08241   0.00058   0.00790   0.01561   0.02362   3.10603
   D338       3.13452  -0.00003  -0.00219  -0.00007  -0.00238   3.13214
   D339      -0.04690   0.00040   0.00191   0.01268   0.01469  -0.03220
   D340      -0.01904   0.00014   0.00365   0.00300   0.00655  -0.01250
   D341       3.13623  -0.00004  -0.00280   0.00012  -0.00279   3.13344
   D342       3.08104   0.00058   0.00802   0.01540   0.02353   3.10457
   D343      -0.04687   0.00039   0.00157   0.01252   0.01420  -0.03268
   D344      -0.02967   0.00018  -0.00127   0.00708   0.00581  -0.02386
   D345       3.13851  -0.00013  -0.00633  -0.00125  -0.00756   3.13095
   D346       3.09810   0.00037   0.00523   0.01004   0.01525   3.11335
   D347      -0.01691   0.00006   0.00016   0.00171   0.00189  -0.01502
   D348       0.02535  -0.00017  -0.00050  -0.00535  -0.00583   0.01952
   D349      -3.10077  -0.00024  -0.00103  -0.00791  -0.00891  -3.10968
   D350       3.14028   0.00014   0.00454   0.00301   0.00756  -3.13534
   D351       0.01416   0.00008   0.00401   0.00045   0.00448   0.01864
   D352       0.02555  -0.00020  -0.00132  -0.00586  -0.00716   0.01838
   D353      -3.14093   0.00012   0.00394   0.00269   0.00664  -3.13429
   D354      -3.10174  -0.00026  -0.00143  -0.00847  -0.00988  -3.11161
   D355       0.01497   0.00006   0.00383   0.00008   0.00393   0.01890
   D356      -0.02975   0.00020  -0.00058   0.00753   0.00695  -0.02280
   D357       3.09965   0.00039   0.00576   0.01051   0.01626   3.11592
   D358       3.13665  -0.00012  -0.00586  -0.00099  -0.00683   3.12983
   D359      -0.01713   0.00007   0.00048   0.00200   0.00248  -0.01464
   D360      -0.01904   0.00015   0.00363   0.00319   0.00670  -0.01234
   D361       3.08319   0.00060   0.00836   0.01600   0.02447   3.10767
   D362       3.13462  -0.00003  -0.00267   0.00027  -0.00251   3.13211
   D363      -0.04634   0.00042   0.00207   0.01308   0.01527  -0.03107
   D364      -0.01855   0.00014   0.00354   0.00289   0.00632  -0.01223
   D365       3.13607  -0.00003  -0.00189   0.00008  -0.00191   3.13415
   D366       3.08203   0.00055   0.00725   0.01515   0.02251   3.10454
   D367      -0.04653   0.00039   0.00182   0.01235   0.01427  -0.03226
   D368      -0.02985   0.00018  -0.00087   0.00695   0.00607  -0.02378
   D369       3.13752  -0.00011  -0.00535  -0.00102  -0.00634   3.13118
   D370       3.09858   0.00035   0.00460   0.00982   0.01441   3.11299
   D371      -0.01724   0.00006   0.00012   0.00186   0.00200  -0.01524
   D372       0.02526  -0.00017  -0.00096  -0.00525  -0.00619   0.01907
   D373      -3.10170  -0.00022  -0.00047  -0.00743  -0.00786  -3.10956
   D374       3.14101   0.00012   0.00349   0.00274   0.00624  -3.13594
   D375       0.01404   0.00008   0.00398   0.00056   0.00458   0.01862
   D376      -0.02583   0.00019   0.00129   0.00578   0.00704  -0.01878
   D377      -3.14105  -0.00014  -0.00426  -0.00289  -0.00717   3.13496
   D378       3.10052   0.00026   0.00154   0.00844   0.00996   3.11048
   D379      -0.01471  -0.00007  -0.00400  -0.00023  -0.00425  -0.01896
   D380       0.02998  -0.00020   0.00086  -0.00746  -0.00660   0.02338
   D381      -3.09819  -0.00039  -0.00584  -0.01052  -0.01634  -3.11453
   D382      -3.13790   0.00013   0.00643   0.00118   0.00758  -3.13032
   D383       0.01711  -0.00006  -0.00027  -0.00188  -0.00216   0.01495
   D384       0.01924  -0.00016  -0.00409  -0.00319  -0.00716   0.01208
   D385      -3.08124  -0.00060  -0.00854  -0.01601  -0.02465  -3.10588
   D386      -3.13563   0.00003   0.00256  -0.00021   0.00247  -3.13316
   D387       0.04708  -0.00041  -0.00189  -0.01302  -0.01502   0.03206
   D388       0.01914  -0.00014  -0.00360  -0.00302  -0.00651   0.01263
   D389      -3.13459   0.00004   0.00284  -0.00014   0.00281  -3.13178
   D390      -3.08341  -0.00057  -0.00801  -0.01537  -0.02349  -3.10691
   D391       0.04604  -0.00039  -0.00156  -0.01249  -0.01417   0.03187
   D392       0.02935  -0.00018   0.00104  -0.00703  -0.00599   0.02336
   D393      -3.13722   0.00013   0.00613   0.00111   0.00721  -3.13002
   D394      -3.09998  -0.00037  -0.00545  -0.00999  -0.01542  -3.11540
   D395       0.01664  -0.00006  -0.00036  -0.00185  -0.00222   0.01441
   D396      -0.02521   0.00018   0.00072   0.00543   0.00613  -0.01908
   D397       3.10264   0.00022   0.00069   0.00751   0.00816   3.11081
   D398       3.14143  -0.00013  -0.00434  -0.00274  -0.00709   3.13434
   D399      -0.01390  -0.00009  -0.00437  -0.00066  -0.00506  -0.01896
   D400       1.21252   0.00073   0.04760   0.04246   0.08954   1.30206
   D401      -1.11840   0.00260   0.04844   0.07062   0.12091  -0.99749
   D402       2.93653   0.00620   0.00343   0.09318   0.09555   3.03207
   D403      -2.76764  -0.00258  -0.05184  -0.05521  -0.10610  -2.87374
   D404      -0.60287  -0.00093  -0.06775  -0.03070  -0.09847  -0.70134
   D405       1.61759  -0.00212  -0.00257  -0.04428  -0.04778   1.56981
   D406       3.01641  -0.00162  -0.04004  -0.03426  -0.07518   2.94123
   D407      -1.17087  -0.00084  -0.03169  -0.02746  -0.06021  -1.23108
   D408       0.90242  -0.00213  -0.04492  -0.03804  -0.08422   0.81821
   D409       3.13605  -0.00030  -0.00538  -0.01059  -0.01597   3.12008
   D410      -1.03473  -0.00042  -0.00165  -0.01358  -0.01528  -1.05000
   D411       1.01344  -0.00021  -0.01154  -0.00696  -0.01846   0.99499
   D412      -3.14082   0.00006  -0.00140   0.00048  -0.00061  -3.14142
   D413      -1.05516   0.00002  -0.00311   0.00016  -0.00264  -1.05780
   D414       1.05941   0.00008   0.00175  -0.00024   0.00181   1.06122
   D415       1.07154   0.00002   0.00363   0.00220   0.00594   1.07748
   D416      -3.12599  -0.00002   0.00192   0.00187   0.00391  -3.12209
   D417      -1.01142   0.00004   0.00678   0.00148   0.00836  -1.00306
   D418      -1.05960  -0.00008  -0.00163  -0.00441  -0.00645  -1.06605
   D419       1.02606  -0.00011  -0.00334  -0.00473  -0.00848   1.01758
   D420       3.14063  -0.00005   0.00152  -0.00512  -0.00403   3.13660
   D421       1.49531  -0.00027  -0.00661   0.00625  -0.00116   1.49415
   D422      -2.74317  -0.00005  -0.01244   0.01121  -0.00169  -2.74486
   D423      -0.58053   0.00079   0.00159   0.02119   0.02255  -0.55798
   D424      -1.53548  -0.00016   0.00610  -0.00945  -0.00327  -1.53875
   D425       2.69327  -0.00022   0.01135  -0.01218  -0.00111   2.69216
   D426       0.53910  -0.00118  -0.00631  -0.02318  -0.02929   0.50982
   D427       1.05312   0.00008   0.00230   0.00118   0.00348   1.05660
   D428      -3.14052   0.00004   0.00151   0.00047   0.00198  -3.13853
   D429      -1.05019   0.00003   0.00125   0.00028   0.00153  -1.04866
   D430      -1.03588   0.00036   0.00256   0.00714   0.00974  -1.02614
   D431       1.05367   0.00032   0.00177   0.00644   0.00824   1.06191
   D432      -3.13919   0.00031   0.00151   0.00624   0.00779  -3.13140
   D433      -3.14002  -0.00031  -0.00205  -0.00453  -0.00662   3.13655
   D434      -1.05047  -0.00035  -0.00284  -0.00524  -0.00811  -1.05858
   D435       1.03986  -0.00036  -0.00310  -0.00543  -0.00857   1.03129
   D436      -1.61660  -0.00044   0.00934  -0.01943  -0.00947  -1.62607
   D437      -1.53561   0.00052   0.01258   0.00830   0.02019  -1.51542
   D438       0.33401  -0.00008   0.00007  -0.01056  -0.01037   0.32365
   D439       0.91157  -0.00019   0.00593   0.00218   0.00630   0.91787
   D440       0.73730   0.00077   0.00845   0.02541   0.03319   0.77049
   D441      -0.32442   0.00059   0.00022   0.01215   0.01250  -0.31192
         Item               Value     Threshold  Converged?
 Maximum Force            0.006196     0.000450     NO 
 RMS     Force            0.001080     0.000300     NO 
 Maximum Displacement     2.173737     0.001800     NO 
 RMS     Displacement     0.407045     0.001200     NO 
 Predicted change in Energy=-1.219512D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.604192    2.829088    0.302599
      2          6           0       -1.919610    1.468882    0.232069
      3          6           0       -0.935532    0.466097    0.197247
      4          6           0        0.416762    0.851459    0.214018
      5          6           0        0.746673    2.214598    0.269698
      6          6           0       -0.237472    3.179868    0.320685
      7          6           0       -1.268147   -0.958882    0.022138
      8          6           0       -0.230151   -1.933315   -0.079805
      9          6           0        1.127651   -1.556014    0.231555
     10          6           0        1.486043   -0.147744    0.184173
     11          6           0       -2.592987   -1.386306   -0.130233
     12          6           0       -2.938562   -2.690366   -0.504777
     13          6           0       -1.878737   -3.569543   -0.810978
     14          6           0       -0.570768   -3.202898   -0.592796
     15          7           0        2.150663   -2.476772    0.374112
     16          6           0        3.480469   -2.036280    0.214519
     17          6           0        3.722228   -0.645834    0.079344
     18          7           0        2.721625    0.273755    0.105165
     19          6           0        4.570527   -2.919439    0.104169
     20          6           0        5.849009   -2.425205   -0.068334
     21          6           0        6.131553   -1.037021   -0.143948
     22          6           0        5.042961   -0.178288   -0.080552
     23          6           0       -2.671354    3.872799    0.344976
     24          6           0       -4.360017   -3.111081   -0.627126
     25          6           0        7.525989   -0.533551   -0.297352
     26          6           0       -4.714891   -4.372788   -1.140009
     27          6           0       -6.038457   -4.775295   -1.257675
     28          6           0       -7.071969   -3.922489   -0.848317
     29          6           0       -6.745786   -2.664752   -0.323574
     30          6           0       -5.417287   -2.275260   -0.221783
     31          6           0       -2.372080    5.218529    0.622945
     32          6           0       -3.355430    6.199244    0.669475
     33          6           0       -4.692934    5.865709    0.425573
     34          6           0       -5.018062    4.533502    0.142122
     35          6           0       -4.022954    3.564621    0.109724
     36          6           0        8.604439   -1.397631   -0.552639
     37          6           0        9.904203   -0.927766   -0.700310
     38          6           0       10.174427    0.441121   -0.583706
     39          6           0        9.116947    1.321696   -0.320477
     40          6           0        7.822715    0.836306   -0.185814
     41          7           0       -5.698920    6.858495    0.463185
     42          7           0       -8.419636   -4.325811   -0.959978
     43          7           0       11.494186    0.925457   -0.727135
     44          6           0       -8.939031   -5.591215   -0.612621
     45          6           0      -10.330352   -5.599876   -0.865938
     46          6           0      -10.677688   -4.296100   -1.387781
     47          6           0       -9.487213   -3.533823   -1.432968
     48          6           0       -6.958324    6.741671    1.085659
     49          6           0       -7.676033    7.946399    0.897875
     50          6           0       -6.827391    8.833035    0.132857
     51          6           0       -5.619780    8.140131   -0.118350
     52          6           0       11.886196    2.062492   -1.463506
     53          6           0       13.288862    2.214052   -1.360170
     54          6           0       13.774448    1.133947   -0.529813
     55          6           0       12.652144    0.358044   -0.156418
     56          6           0      -11.876629   -3.730122   -1.830474
     57          6           0      -11.870137   -2.432561   -2.331129
     58          6           0      -10.671671   -1.708673   -2.412560
     59          6           0       -9.462411   -2.246474   -1.974234
     60          6           0       -8.296192   -6.678250   -0.016194
     61          6           0       -9.065955   -7.806318    0.264146
     62          6           0      -10.437687   -7.850364   -0.024568
     63          6           0      -11.076749   -6.746249   -0.578483
     64          6           0       -6.996894   10.127397   -0.367293
     65          6           0       -5.981187   10.700506   -1.124926
     66          6           0       -4.809854    9.980527   -1.402889
     67          6           0       -4.611696    8.690469   -0.913438
     68          6           0       -7.467000    5.700996    1.866575
     69          6           0       -8.742111    5.864184    2.405652
     70          6           0       -9.487620    7.032624    2.189616
     71          6           0       -8.954788    8.080478    1.446550
     72          6           0       15.044049    0.779285   -0.064555
     73          6           0       15.175301   -0.318757    0.778827
     74          6           0       14.045041   -1.048050    1.176282
     75          6           0       12.767817   -0.720160    0.724058
     76          6           0       11.117383    2.900759   -2.274434
     77          6           0       11.774064    3.939314   -2.932857
     78          6           0       13.157220    4.133253   -2.803888
     79          6           0       13.920355    3.267081   -2.028409
     80          8           0        0.598619   -4.248922    1.897062
     81         15           0        1.914369   -4.032371    1.285494
     82          8           0        3.198739   -4.137144    2.194645
     83          8           0        2.331421   -5.009820    0.070957
     84          6           0        3.504609   -3.369247    3.416561
     85          6           0        4.701747   -4.044024    4.055203
     86          6           0        1.994214   -6.431430    0.161426
     87          6           0        2.469463   -7.098694   -1.112230
     88          1           0       -2.957246    1.176465    0.210752
     89          1           0        1.797036    2.474147    0.286552
     90          1           0        0.054464    4.220988    0.362032
     91          1           0       -3.377264   -0.659784    0.006855
     92          1           0       -2.081252   -4.554577   -1.208720
     93          1           0        0.223184   -3.872394   -0.890795
     94          1           0        4.406206   -3.985925    0.122014
     95          1           0        6.655452   -3.142085   -0.153865
     96          1           0        5.140235    0.895069   -0.172820
     97          1           0       -3.946697   -5.055343   -1.480129
     98          1           0       -6.281844   -5.729009   -1.709670
     99          1           0       -7.533880   -2.021820    0.048695
    100          1           0       -5.205996   -1.307388    0.214773
    101          1           0       -1.353916    5.511369    0.845716
    102          1           0       -3.100399    7.215435    0.944902
    103          1           0       -6.041555    4.273725   -0.099403
    104          1           0       -4.312995    2.550659   -0.135843
    105          1           0        8.434875   -2.460553   -0.672501
    106          1           0       10.706183   -1.609842   -0.955154
    107          1           0        9.323199    2.374766   -0.173121
    108          1           0        7.033831    1.542447    0.042027
    109          1           0      -12.796468   -4.305947   -1.791774
    110          1           0      -12.794440   -1.978512   -2.672077
    111          1           0      -10.677592   -0.705903   -2.828676
    112          1           0       -8.537300   -1.692961   -2.071054
    113          1           0       -7.245516   -6.640761    0.241198
    114          1           0       -8.585569   -8.666242    0.720750
    115          1           0      -11.003438   -8.748730    0.198201
    116          1           0      -12.144208   -6.763773   -0.776952
    117          1           0       -7.917583   10.669121   -0.171915
    118          1           0       -6.096571   11.706744   -1.513545
    119          1           0       -4.035393   10.431679   -2.015749
    120          1           0       -3.718689    8.129810   -1.158192
    121          1           0       -6.885129    4.810450    2.066365
    122          1           0       -9.160380    5.065109    3.010119
    123          1           0      -10.480880    7.121012    2.616749
    124          1           0       -9.515280    8.999147    1.300788
    125          1           0       15.911733    1.365211   -0.352744
    126          1           0       16.155300   -0.608937    1.142412
    127          1           0       14.159538   -1.887620    1.855163
    128          1           0       11.897273   -1.267858    1.061535
    129          1           0       10.055093    2.739630   -2.405116
    130          1           0       11.194502    4.608789   -3.561126
    131          1           0       13.633161    4.958682   -3.322491
    132          1           0       14.995687    3.395011   -1.947501
    133          1           0        3.713480   -2.340172    3.129529
    134          1           0        2.625090   -3.373933    4.058740
    135          1           0        4.963417   -3.503530    4.969777
    136          1           0        4.478870   -5.081124    4.318222
    137          1           0        5.565645   -4.027932    3.385993
    138          1           0        2.483630   -6.854786    1.044188
    139          1           0        0.913132   -6.519476    0.299348
    140          1           0        3.550611   -6.990587   -1.226031
    141          1           0        2.229046   -8.165142   -1.077817
    142          1           0        1.981894   -6.660960   -1.986733
    143         17           0        1.173065   -0.918663    2.968769
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0193258           0.0072837           0.0055351
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13511.7670011360 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  1.81D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    0.999940    0.009058    0.000463   -0.006113 Ang=   1.25 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.66106659     A.U. after   16 cycles
            NFock= 16  Conv=0.37D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.004116989    0.000871578   -0.000094739
      2        6           0.002918264    0.000804197    0.001820312
      3        6          -0.001826103   -0.003443606   -0.001380703
      4        6           0.001254822    0.001470098    0.000854039
      5        6           0.001400857   -0.002237433    0.000207748
      6        6          -0.000735892    0.000135284   -0.000742748
      7        6          -0.000766537    0.001130273    0.001656551
      8        6          -0.002693896    0.002113730   -0.000689644
      9        6           0.005847361   -0.003529049    0.009522230
     10        6          -0.001392630    0.001529042    0.001007505
     11        6           0.002890064    0.000576998   -0.001802746
     12        6          -0.003075467   -0.001326070   -0.000433975
     13        6          -0.000887292   -0.001255164    0.000664171
     14        6           0.002931325    0.002449488    0.000705680
     15        7          -0.003298160   -0.001002608   -0.004137786
     16        6          -0.000553914   -0.000557209   -0.001622964
     17        6           0.003885684   -0.000756293    0.000776114
     18        7          -0.000916169    0.001473780   -0.002816726
     19        6          -0.000368170    0.001872170   -0.001799187
     20        6           0.000662597    0.000724570    0.000207472
     21        6           0.003110200    0.000819837   -0.000116676
     22        6          -0.001807416   -0.000372950   -0.001142907
     23        6           0.002626833   -0.001081492   -0.000010860
     24        6           0.001733469    0.000771361    0.000172340
     25        6          -0.002405866   -0.001484444    0.000254762
     26        6           0.000674401    0.000236005   -0.000580760
     27        6          -0.000446114    0.002727250   -0.001767819
     28        6          -0.002264146   -0.001727080   -0.000491583
     29        6           0.001914575   -0.001530638    0.001961968
     30        6          -0.000056927    0.000644189    0.000386090
     31        6           0.000554944    0.000230873    0.000945616
     32        6           0.000128840   -0.002378238    0.002420735
     33        6          -0.002764278    0.001393029    0.000004002
     34        6           0.001836824    0.001354306   -0.002279147
     35        6          -0.000094153   -0.000599427   -0.000707500
     36        6           0.000349786   -0.000661593   -0.000809106
     37        6          -0.002166816    0.000733876   -0.002551948
     38        6           0.002386002    0.001730926   -0.000177864
     39        6           0.000429528   -0.001961619    0.002493066
     40        6          -0.000407894    0.000617352    0.000497585
     41        7          -0.004960279    0.002449221    0.000085752
     42        7          -0.004694414   -0.003269420   -0.000583127
     43        7           0.004334750    0.003600357   -0.000189918
     44        6           0.001222208    0.007230463    0.002421184
     45        6          -0.000091405   -0.000899632   -0.000321489
     46        6          -0.000872660    0.000199428    0.000215936
     47        6           0.007430794   -0.001017331   -0.001181303
     48        6           0.007058295    0.002552292    0.001194497
     49        6          -0.000812936   -0.000420646   -0.000143009
     50        6          -0.000186224    0.000925261    0.000114223
     51        6           0.002316109   -0.007275026   -0.001301418
     52        6          -0.000722804   -0.007639329   -0.000422043
     53        6           0.000003146    0.000938578    0.000050291
     54        6           0.000935662   -0.000206987   -0.000092436
     55        6          -0.007606996    0.001012869    0.000841090
     56        6          -0.000595753   -0.001170676   -0.000142347
     57        6          -0.000567775   -0.000386152   -0.000013965
     58        6           0.001508628    0.002244624    0.000263251
     59        6          -0.001976946   -0.001277248   -0.000104474
     60        6          -0.001872702   -0.001462916   -0.000497032
     61        6           0.002671090    0.000655648    0.000420767
     62        6          -0.000564113   -0.000412498   -0.000159412
     63        6          -0.001271207   -0.000136406   -0.000229226
     64        6          -0.001313090   -0.000034615    0.000151555
     65        6          -0.000608110    0.000325355    0.000113609
     66        6           0.002737012   -0.000211921   -0.000252319
     67        6          -0.002056413    0.001134099    0.000202406
     68        6          -0.002102238    0.000947858   -0.000223758
     69        6           0.001850394   -0.001974819    0.000206859
     70        6          -0.000587546    0.000295861   -0.000074455
     71        6          -0.000831194    0.001045993   -0.000088509
     72        6           0.000535314    0.001157842   -0.000237584
     73        6           0.000562503    0.000417039   -0.000132739
     74        6          -0.001390394   -0.002353421    0.000439428
     75        6           0.001923351    0.001366464   -0.000243233
     76        6           0.001770345    0.001562462    0.000135222
     77        6          -0.002612995   -0.000885074   -0.000169438
     78        6           0.000516134    0.000462178    0.000026953
     79        6           0.001285356    0.000266649    0.000153829
     80        8          -0.005033011   -0.001010839   -0.001382545
     81       15          -0.001123479    0.004782541   -0.005978880
     82        8           0.004715711    0.003726842    0.006068854
     83        8          -0.001555714   -0.005707903   -0.000743204
     84        6           0.001028949   -0.004817431    0.000230470
     85        6          -0.001439976    0.000652816    0.000274266
     86        6          -0.000924169    0.002532145    0.001813614
     87        6          -0.000599369    0.000275452    0.000847097
     88        1          -0.001250926   -0.000510689    0.001173934
     89        1          -0.000379294    0.001633923    0.000006041
     90        1           0.000971927    0.000851145   -0.000403815
     91        1          -0.001148838    0.000147266   -0.000518972
     92        1           0.001087760   -0.000586709   -0.000048900
     93        1           0.002197094   -0.002547668    0.002354864
     94        1           0.001270688    0.000757494   -0.000121269
     95        1           0.000360529   -0.000902244    0.000591721
     96        1           0.000164501    0.000755987   -0.000177590
     97        1           0.000191682   -0.000769037   -0.000551320
     98        1           0.000773957   -0.000673402    0.000483547
     99        1          -0.000304817    0.000976939   -0.000308751
    100        1          -0.000644970    0.000285580    0.000756326
    101        1           0.000138978    0.000731524    0.000534530
    102        1           0.000628342    0.000674639   -0.000578791
    103        1          -0.000257720   -0.000916389    0.000549385
    104        1          -0.000416548   -0.000590906   -0.000737545
    105        1           0.000518696   -0.000467587   -0.000366638
    106        1           0.000321524   -0.000818022    0.000670170
    107        1          -0.000702631    0.000530039   -0.000618654
    108        1          -0.000216157    0.000705730    0.000469038
    109        1          -0.000562008    0.000173808   -0.000168608
    110        1          -0.000415796   -0.000097692   -0.000322818
    111        1          -0.000404960    0.000044779   -0.000250281
    112        1          -0.000189325    0.001030869    0.000337488
    113        1           0.000923417   -0.000533192   -0.000170686
    114        1          -0.000155558   -0.000443398    0.000172449
    115        1          -0.000293319   -0.000401688    0.000208856
    116        1          -0.000060363   -0.000613906    0.000090171
    117        1          -0.000156138    0.000580860   -0.000203789
    118        1          -0.000345009    0.000303063   -0.000298145
    119        1          -0.000213032    0.000363507   -0.000252025
    120        1           0.000811925    0.000733909    0.000095977
    121        1           0.000043542   -0.001139240   -0.000154370
    122        1          -0.000383867   -0.000075260    0.000240026
    123        1          -0.000457588    0.000078909    0.000283717
    124        1          -0.000521126   -0.000223431    0.000177581
    125        1           0.000573096   -0.000078068    0.000222706
    126        1           0.000409000    0.000219026    0.000290743
    127        1           0.000414651    0.000066474    0.000263729
    128        1           0.000315134   -0.001035529    0.000016224
    129        1          -0.001040019    0.000449940    0.000067431
    130        1           0.000133626    0.000371296   -0.000303058
    131        1           0.000278185    0.000333856   -0.000323702
    132        1           0.000029841    0.000562729   -0.000257648
    133        1          -0.001561165    0.000609753   -0.001334861
    134        1          -0.001464874   -0.000045503   -0.000501638
    135        1           0.000448464    0.000005602    0.000345106
    136        1           0.000012727   -0.000435533    0.000173297
    137        1           0.000423397    0.000122262   -0.000220491
    138        1           0.000925941    0.000384118   -0.000027177
    139        1          -0.000214419   -0.000106777   -0.000645588
    140        1           0.000573839    0.000019448   -0.000315698
    141        1           0.000144745   -0.000387316   -0.000222400
    142        1          -0.000132016    0.000053165   -0.000467057
    143       17          -0.001118111   -0.000853806   -0.001466655
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.009522230 RMS     0.001749537

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.007452944 RMS     0.001122717
 Search for a local minimum.
 Step number   7 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    6    7
 DE= -1.14D-02 DEPred=-1.22D-02 R= 9.35D-01
 TightC=F SS=  1.41D+00  RLast= 8.59D-01 DXNew= 2.4000D+00 2.5769D+00
 Trust test= 9.35D-01 RLast= 8.59D-01 DXMaxT set to 2.40D+00
 ITU=  1  1  1  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00417   0.00421   0.00863   0.01241   0.01570
     Eigenvalues ---    0.01614   0.02208   0.02574   0.02586   0.02603
     Eigenvalues ---    0.02637   0.02640   0.02673   0.02700   0.02704
     Eigenvalues ---    0.02707   0.02711   0.02712   0.02718   0.02724
     Eigenvalues ---    0.02725   0.02727   0.02728   0.02736   0.02744
     Eigenvalues ---    0.02763   0.02769   0.02769   0.02770   0.02773
     Eigenvalues ---    0.02774   0.02776   0.02779   0.02785   0.02786
     Eigenvalues ---    0.02790   0.02790   0.02791   0.02791   0.02792
     Eigenvalues ---    0.02793   0.02793   0.02794   0.02795   0.02801
     Eigenvalues ---    0.02801   0.02802   0.02804   0.02805   0.02806
     Eigenvalues ---    0.02806   0.02808   0.02808   0.02809   0.02810
     Eigenvalues ---    0.02811   0.02811   0.02812   0.02812   0.02816
     Eigenvalues ---    0.02819   0.02819   0.02820   0.02820   0.02821
     Eigenvalues ---    0.02821   0.02824   0.02828   0.02830   0.02834
     Eigenvalues ---    0.02844   0.02845   0.02845   0.02846   0.02847
     Eigenvalues ---    0.02848   0.02856   0.02861   0.02866   0.02870
     Eigenvalues ---    0.02870   0.02870   0.02872   0.02873   0.02874
     Eigenvalues ---    0.02876   0.02877   0.02878   0.02878   0.02878
     Eigenvalues ---    0.02879   0.02879   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02886   0.02886   0.02886   0.02886
     Eigenvalues ---    0.02887   0.02887   0.02892   0.02893   0.02894
     Eigenvalues ---    0.02896   0.02898   0.02899   0.02905   0.02911
     Eigenvalues ---    0.02912   0.02912   0.02913   0.02913   0.02934
     Eigenvalues ---    0.02949   0.02949   0.02959   0.03023   0.03024
     Eigenvalues ---    0.03024   0.03133   0.03133   0.03134   0.03137
     Eigenvalues ---    0.03146   0.03149   0.03202   0.03413   0.03770
     Eigenvalues ---    0.04049   0.04702   0.04953   0.05347   0.05521
     Eigenvalues ---    0.05577   0.05583   0.05595   0.05745   0.05818
     Eigenvalues ---    0.06862   0.08111   0.08946   0.10189   0.11051
     Eigenvalues ---    0.11448   0.12591   0.13647   0.13666   0.14763
     Eigenvalues ---    0.15771   0.15959   0.15975   0.15976   0.15979
     Eigenvalues ---    0.15979   0.15980   0.15983   0.15985   0.15991
     Eigenvalues ---    0.15993   0.15994   0.15994   0.15995   0.15995
     Eigenvalues ---    0.15995   0.15995   0.15996   0.15996   0.15996
     Eigenvalues ---    0.15996   0.15998   0.15998   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16028   0.16103
     Eigenvalues ---    0.16258   0.16912   0.17744   0.18721   0.20899
     Eigenvalues ---    0.21416   0.21946   0.21998   0.21998   0.21998
     Eigenvalues ---    0.21998   0.21998   0.22002   0.22002   0.22002
     Eigenvalues ---    0.22022   0.22343   0.22432   0.22472   0.22591
     Eigenvalues ---    0.22592   0.22594   0.22594   0.22594   0.22692
     Eigenvalues ---    0.22960   0.22961   0.23015   0.23390   0.23453
     Eigenvalues ---    0.23523   0.23633   0.24001   0.24001   0.24249
     Eigenvalues ---    0.24326   0.24425   0.24427   0.24427   0.24462
     Eigenvalues ---    0.24464   0.24585   0.24630   0.24882   0.24917
     Eigenvalues ---    0.24919   0.24935   0.24936   0.24937   0.24948
     Eigenvalues ---    0.24978   0.24992   0.24998   0.24999   0.24999
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25002   0.25049   0.25673   0.26684
     Eigenvalues ---    0.27495   0.28994   0.29759   0.29786   0.30403
     Eigenvalues ---    0.32015   0.32098   0.32128   0.32140   0.32147
     Eigenvalues ---    0.32150   0.32178   0.32227   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33289   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33407   0.33418
     Eigenvalues ---    0.33466   0.33544   0.33561   0.33565   0.33577
     Eigenvalues ---    0.33584   0.33586   0.33595   0.33631   0.33635
     Eigenvalues ---    0.33637   0.33642   0.33643   0.33662   0.33709
     Eigenvalues ---    0.33721   0.33750   0.33818   0.33824   0.33832
     Eigenvalues ---    0.33841   0.33861   0.33884   0.33897   0.33924
     Eigenvalues ---    0.33941   0.33947   0.33955   0.33959   0.34258
     Eigenvalues ---    0.34637   0.34912   0.34949   0.39222   0.41500
     Eigenvalues ---    0.42951   0.43274   0.44405   0.44409   0.44414
     Eigenvalues ---    0.44495   0.45110   0.47922   0.48923   0.48933
     Eigenvalues ---    0.49012   0.49220   0.49282   0.49627   0.49721
     Eigenvalues ---    0.49745   0.49790   0.49994   0.50028   0.50099
     Eigenvalues ---    0.50149   0.50386   0.50389   0.50394   0.50596
     Eigenvalues ---    0.50598   0.50602   0.51348   0.51532   0.51959
     Eigenvalues ---    0.52397   0.52654   0.53042   0.53165   0.53830
     Eigenvalues ---    0.54083   0.54107   0.54185   0.54187   0.54192
     Eigenvalues ---    0.54326   0.54565   0.54953   0.55161   0.55316
     Eigenvalues ---    0.55345   0.55358   0.55387   0.55390   0.55411
     Eigenvalues ---    0.55451   0.55488   0.55524   0.55610   0.55705
     Eigenvalues ---    0.55706   0.55753   0.55767   0.55939   0.55946
     Eigenvalues ---    0.55988   0.56148   0.56153   0.56154   0.56252
     Eigenvalues ---    0.56272   0.56309   0.56370   0.56660   0.56662
     Eigenvalues ---    0.56668   0.56670   0.56679   0.56697   0.56861
     Eigenvalues ---    0.56906   0.56920   0.56996   0.57134   0.57173
     Eigenvalues ---    0.57178   0.57190   0.57195   0.57209   0.57531
     Eigenvalues ---    0.60827   0.62611   0.66073   0.66080   0.67625
     Eigenvalues ---    0.67637   0.67641   0.69539   0.70039   0.70092
     Eigenvalues ---    0.73416   0.76866   0.79985
 RFO step:  Lambda=-1.09372856D-02 EMin= 4.17393725D-03
 Quartic linear search produced a step of  0.34772.
 Iteration  1 RMS(Cart)=  0.29176394 RMS(Int)=  0.00366475
 Iteration  2 RMS(Cart)=  0.01547408 RMS(Int)=  0.00045368
 Iteration  3 RMS(Cart)=  0.00002741 RMS(Int)=  0.00045361
 Iteration  4 RMS(Cart)=  0.00000002 RMS(Int)=  0.00045361
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64198   0.00046  -0.00048  -0.00000  -0.00040   2.64159
    R2        2.66665   0.00111  -0.00086   0.00110   0.00037   2.66702
    R3        2.82194  -0.00185   0.00619  -0.00184   0.00435   2.82629
    R4        2.65586   0.00000   0.00131  -0.00044   0.00084   2.65670
    R5        2.03762   0.00123  -0.00055   0.00404   0.00349   2.04111
    R6        2.65739   0.00350  -0.00205   0.00635   0.00411   2.66150
    R7        2.78493  -0.00055   0.00361   0.00112   0.00498   2.78991
    R8        2.65242   0.00002   0.00073  -0.00034   0.00030   2.65272
    R9        2.76615   0.00106   0.00351   0.00254   0.00583   2.77198
   R10        2.60679   0.00111  -0.00072   0.00137   0.00069   2.60747
   R11        2.04485   0.00055   0.00074   0.00189   0.00263   2.04748
   R12        2.04481   0.00077   0.00027   0.00254   0.00281   2.04762
   R13        2.69731  -0.00182  -0.00282  -0.00617  -0.00892   2.68839
   R14        2.64636   0.00040   0.00138   0.00036   0.00171   2.64807
   R15        2.72732  -0.00323   0.00098  -0.00721  -0.00635   2.72097
   R16        2.66647  -0.00041  -0.00089  -0.00178  -0.00279   2.66368
   R17        2.74753   0.00126   0.00103  -0.00043   0.00002   2.74755
   R18        2.61485  -0.00737  -0.00143  -0.01699  -0.01622   2.59863
   R19        5.31165  -0.00417  -0.06417  -0.12204  -0.18403   5.12762
   R20        2.47155   0.00117  -0.00197  -0.00040  -0.00198   2.46957
   R21        2.64580   0.00202  -0.00037   0.00334   0.00310   2.64890
   R22        2.03680   0.00105  -0.00041   0.00352   0.00310   2.03991
   R23        2.66575   0.00186  -0.00079   0.00288   0.00225   2.66800
   R24        2.81087  -0.00083   0.00631   0.00052   0.00682   2.81770
   R25        2.59988   0.00143  -0.00018   0.00254   0.00240   2.60228
   R26        2.04362   0.00069   0.00032   0.00220   0.00253   2.04614
   R27        2.04177   0.00226   0.00196   0.00722   0.00917   2.05094
   R28        2.66437   0.00468   0.00040   0.00667   0.00665   2.67102
   R29        3.43615  -0.00262   0.00646  -0.00769  -0.00053   3.43562
   R30        6.01029   0.00272   0.03300   0.06058   0.09058   6.10088
   R31        2.67919   0.00113  -0.00342   0.00243  -0.00056   2.67863
   R32        2.65933   0.00155  -0.00135   0.00126  -0.00018   2.65916
   R33        2.56858   0.00254   0.00358   0.00688   0.01139   2.57997
   R34        2.66478   0.00037   0.00124   0.00039   0.00165   2.66643
   R35        2.61066   0.00094  -0.00024   0.00095   0.00070   2.61136
   R36        2.03943  -0.00053   0.00260   0.00008   0.00268   2.04211
   R37        2.68088  -0.00019  -0.00016  -0.00110  -0.00119   2.67969
   R38        2.04543   0.00065   0.00038   0.00209   0.00247   2.04791
   R39        2.62289   0.00114   0.00067   0.00211   0.00286   2.62575
   R40        2.81656  -0.00128   0.00574  -0.00084   0.00489   2.82145
   R41        2.04411   0.00071   0.00026   0.00236   0.00261   2.04672
   R42        2.65762   0.00086   0.00014   0.00140   0.00151   2.65912
   R43        2.65716   0.00101   0.00023   0.00192   0.00212   2.65928
   R44        2.65968   0.00073   0.00009   0.00116   0.00121   2.66089
   R45        2.65956   0.00097   0.00015   0.00183   0.00195   2.66152
   R46        2.65563   0.00103  -0.00007   0.00167   0.00157   2.65720
   R47        2.65706   0.00119   0.00024   0.00225   0.00246   2.65953
   R48        2.62371   0.00074   0.00050   0.00115   0.00165   2.62536
   R49        2.04552   0.00061   0.00031   0.00194   0.00225   2.04778
   R50        2.64764   0.00100  -0.00201  -0.00016  -0.00215   2.64549
   R51        2.04676   0.00045   0.00221   0.00312   0.00533   2.05209
   R52        2.64808   0.00098  -0.00202  -0.00019  -0.00219   2.64589
   R53        2.66669   0.00099   0.00214   0.00083   0.00296   2.66965
   R54        2.62323   0.00065   0.00034   0.00090   0.00124   2.62448
   R55        2.04670   0.00048   0.00220   0.00322   0.00542   2.05213
   R56        2.04580   0.00066   0.00018   0.00187   0.00205   2.04785
   R57        2.62593   0.00066   0.00041   0.00091   0.00131   2.62725
   R58        2.04583   0.00065   0.00036   0.00217   0.00253   2.04837
   R59        2.64538   0.00118  -0.00202   0.00022  -0.00177   2.64361
   R60        2.04715   0.00042   0.00224   0.00310   0.00534   2.05249
   R61        2.64617   0.00108  -0.00196   0.00008  -0.00185   2.64432
   R62        2.67184   0.00081   0.00227   0.00059   0.00286   2.67470
   R63        2.62531   0.00058   0.00030   0.00071   0.00102   2.62632
   R64        2.04698   0.00053   0.00215   0.00334   0.00549   2.05247
   R65        2.04627   0.00074   0.00017   0.00218   0.00235   2.04863
   R66        2.62663   0.00060   0.00049   0.00082   0.00130   2.62793
   R67        2.04660   0.00060   0.00039   0.00191   0.00230   2.04890
   R68        2.64593   0.00104  -0.00196  -0.00007  -0.00201   2.64392
   R69        2.04697   0.00044   0.00223   0.00313   0.00536   2.05233
   R70        2.64762   0.00099  -0.00192  -0.00011  -0.00200   2.64562
   R71        2.67042   0.00087   0.00223   0.00065   0.00289   2.67330
   R72        2.62446   0.00061   0.00038   0.00082   0.00120   2.62566
   R73        2.04685   0.00051   0.00215   0.00328   0.00543   2.05229
   R74        2.04657   0.00055   0.00027   0.00166   0.00193   2.04850
   R75        2.66392  -0.00294  -0.00125  -0.00751  -0.00874   2.65518
   R76        2.66380  -0.00273  -0.00148  -0.00737  -0.00884   2.65496
   R77        2.66691  -0.00282  -0.00126  -0.00737  -0.00861   2.65830
   R78        2.66625  -0.00284  -0.00113  -0.00728  -0.00839   2.65785
   R79        2.66496  -0.00296  -0.00124  -0.00755  -0.00877   2.65619
   R80        2.66481  -0.00275  -0.00142  -0.00735  -0.00875   2.65606
   R81        2.67249   0.00170  -0.00069   0.00242   0.00172   2.67421
   R82        2.63927   0.00139  -0.00091   0.00082  -0.00008   2.63919
   R83        2.73377   0.00035  -0.00035   0.00127   0.00090   2.73467
   R84        2.64150   0.00134   0.00096   0.00252   0.00348   2.64498
   R85        2.67270   0.00160  -0.00060   0.00226   0.00165   2.67435
   R86        2.64141   0.00135   0.00095   0.00254   0.00348   2.64489
   R87        2.63943   0.00130  -0.00087   0.00067  -0.00020   2.63923
   R88        2.67364   0.00156  -0.00054   0.00219   0.00164   2.67528
   R89        2.63993   0.00124  -0.00083   0.00060  -0.00023   2.63970
   R90        2.73297   0.00043  -0.00038   0.00141   0.00101   2.73398
   R91        2.64172   0.00136   0.00095   0.00256   0.00350   2.64523
   R92        2.67351   0.00169  -0.00064   0.00242   0.00177   2.67528
   R93        2.64174   0.00136   0.00094   0.00255   0.00349   2.64522
   R94        2.63972   0.00139  -0.00092   0.00080  -0.00012   2.63960
   R95        2.67322   0.00160  -0.00057   0.00224   0.00166   2.67488
   R96        2.63978   0.00125  -0.00084   0.00059  -0.00024   2.63954
   R97        2.73320   0.00040  -0.00036   0.00138   0.00100   2.73420
   R98        2.64170   0.00134   0.00096   0.00253   0.00348   2.64518
   R99        2.67315   0.00170  -0.00067   0.00243   0.00174   2.67490
   R100       2.64166   0.00135   0.00094   0.00253   0.00347   2.64512
   R101       2.63963   0.00138  -0.00091   0.00079  -0.00012   2.63951
   R102       2.62826   0.00067   0.00030   0.00126   0.00156   2.62982
   R103       2.05205   0.00023   0.00067   0.00052   0.00120   2.05325
   R104       2.65031   0.00138   0.00022   0.00268   0.00291   2.65323
   R105       2.04993   0.00048   0.00064   0.00123   0.00186   2.05180
   R106       2.63457  -0.00009   0.00008  -0.00090  -0.00081   2.63376
   R107       2.05167   0.00025   0.00083   0.00046   0.00129   2.05296
   R108       2.04543   0.00065   0.00174   0.00337   0.00511   2.05054
   R109       2.63457  -0.00008   0.00009  -0.00087  -0.00078   2.63379
   R110       2.04543   0.00060   0.00181   0.00331   0.00512   2.05055
   R111       2.65030   0.00138   0.00022   0.00269   0.00291   2.65321
   R112       2.05166   0.00025   0.00085   0.00049   0.00134   2.05300
   R113       2.62821   0.00065   0.00032   0.00125   0.00157   2.62978
   R114       2.04995   0.00049   0.00065   0.00124   0.00189   2.05184
   R115       2.05204   0.00023   0.00067   0.00054   0.00121   2.05325
   R116       2.62809   0.00065   0.00034   0.00127   0.00161   2.62971
   R117       2.05216   0.00024   0.00070   0.00055   0.00124   2.05341
   R118       2.65078   0.00137   0.00026   0.00270   0.00296   2.65374
   R119       2.05003   0.00049   0.00064   0.00126   0.00190   2.05193
   R120       2.63417  -0.00005   0.00003  -0.00085  -0.00081   2.63336
   R121       2.05183   0.00024   0.00085   0.00047   0.00132   2.05316
   R122       2.04554   0.00059   0.00187   0.00333   0.00520   2.05074
   R123       2.63422  -0.00009   0.00003  -0.00094  -0.00090   2.63332
   R124       2.04541   0.00071   0.00174   0.00355   0.00528   2.05070
   R125       2.65081   0.00141   0.00026   0.00277   0.00304   2.65386
   R126       2.05177   0.00025   0.00083   0.00046   0.00129   2.05306
   R127       2.62805   0.00069   0.00029   0.00130   0.00159   2.62964
   R128       2.05000   0.00050   0.00065   0.00126   0.00192   2.05192
   R129       2.05220   0.00022   0.00069   0.00052   0.00120   2.05340
   R130       2.62816   0.00064   0.00034   0.00124   0.00157   2.62973
   R131       2.05211   0.00023   0.00068   0.00054   0.00122   2.05333
   R132       2.65056   0.00138   0.00024   0.00271   0.00296   2.65351
   R133       2.04998   0.00049   0.00064   0.00125   0.00189   2.05187
   R134       2.63433  -0.00006   0.00004  -0.00087  -0.00082   2.63351
   R135       2.05178   0.00025   0.00085   0.00048   0.00132   2.05310
   R136       2.04554   0.00058   0.00184   0.00328   0.00513   2.05067
   R137       2.63435  -0.00009   0.00007  -0.00091  -0.00084   2.63351
   R138       2.04536   0.00070   0.00173   0.00353   0.00527   2.05063
   R139       2.65058   0.00141   0.00022   0.00275   0.00298   2.65357
   R140       2.05173   0.00025   0.00085   0.00049   0.00133   2.05307
   R141       2.62801   0.00070   0.00028   0.00133   0.00161   2.62962
   R142       2.04998   0.00049   0.00065   0.00124   0.00188   2.05187
   R143       2.05212   0.00023   0.00068   0.00054   0.00122   2.05333
   R144       2.77224   0.00406  -0.00182   0.00507   0.00325   2.77549
   R145       2.98023   0.00745  -0.01155   0.01082  -0.00025   2.97997
   R146       3.04969   0.00035   0.00028   0.00032   0.00060   3.05029
   R147       2.78778  -0.00180   0.00675  -0.00114   0.00563   2.79341
   R148       2.76628  -0.00275   0.00481  -0.00400   0.00081   2.76709
   R149       2.86362  -0.00029  -0.00156  -0.00214  -0.00370   2.85992
   R150       2.05712   0.00231   0.00051   0.00412   0.00425   2.06137
   R151       2.05796  -0.00065   0.00079   0.00221   0.00335   2.06130
   R152       2.06755   0.00032   0.00091   0.00086   0.00177   2.06932
   R153       2.06528   0.00046   0.00012   0.00104   0.00116   2.06644
   R154       2.06527   0.00049   0.00010   0.00117   0.00127   2.06654
   R155       2.86173   0.00014  -0.00110  -0.00027  -0.00137   2.86037
   R156       2.06839   0.00036   0.00075   0.00079   0.00154   2.06993
   R157       2.06622   0.00019   0.00054   0.00022   0.00076   2.06698
   R158       2.06449   0.00055   0.00046   0.00151   0.00197   2.06646
   R159       2.06690   0.00040   0.00047   0.00095   0.00143   2.06832
   R160       2.06499   0.00046   0.00041   0.00118   0.00159   2.06658
   R161       5.50953  -0.00003  -0.03788  -0.04541  -0.08404   5.42549
   R162       5.77056  -0.00209  -0.02289  -0.03455  -0.05752   5.71304
    A1        2.04992  -0.00085   0.00084  -0.00121  -0.00034   2.04958
    A2        2.11788   0.00028   0.00006   0.00061   0.00065   2.11853
    A3        2.11535   0.00056  -0.00089   0.00062  -0.00030   2.11505
    A4        2.13822   0.00126  -0.00062   0.00318   0.00236   2.14058
    A5        2.07368  -0.00099   0.00058  -0.00273  -0.00216   2.07151
    A6        2.07126  -0.00028   0.00004  -0.00055  -0.00052   2.07074
    A7        2.06863  -0.00066  -0.00039  -0.00291  -0.00334   2.06528
    A8        2.13510   0.00069  -0.00030   0.00057   0.00075   2.13585
    A9        2.07537   0.00000   0.00030   0.00329   0.00310   2.07847
   A10        2.08592  -0.00046   0.00087   0.00051   0.00151   2.08743
   A11        2.11200  -0.00004   0.00007  -0.00060  -0.00138   2.11062
   A12        2.08524   0.00050  -0.00093   0.00011  -0.00011   2.08513
   A13        2.10989   0.00027  -0.00043  -0.00007  -0.00073   2.10916
   A14        2.05073   0.00148  -0.00350   0.00710   0.00370   2.05443
   A15        2.12245  -0.00175   0.00390  -0.00706  -0.00305   2.11941
   A16        2.11362   0.00043  -0.00023   0.00059   0.00034   2.11397
   A17        2.09551   0.00081  -0.00210   0.00407   0.00197   2.09749
   A18        2.07396  -0.00124   0.00236  -0.00466  -0.00229   2.07167
   A19        2.09955  -0.00125  -0.00139  -0.00612  -0.00772   2.09183
   A20        2.11949   0.00296   0.00164   0.01269   0.01479   2.13428
   A21        2.06218  -0.00171  -0.00075  -0.00694  -0.00821   2.05396
   A22        2.08322   0.00260  -0.00120   0.00387   0.00191   2.08512
   A23        2.05405   0.00318   0.00348   0.01812   0.02150   2.07555
   A24        2.14213  -0.00571  -0.00245  -0.02027  -0.02200   2.12014
   A25        2.06928   0.00052  -0.00150   0.00618   0.00358   2.07286
   A26        2.14578  -0.00233  -0.00437  -0.02819  -0.03641   2.10937
   A27        1.85935  -0.00364   0.00345  -0.02468  -0.02163   1.83772
   A28        2.05516   0.00159   0.00240   0.01415   0.01702   2.07218
   A29        1.37772   0.00114  -0.01635  -0.00398  -0.02135   1.35637
   A30        2.07196  -0.00172  -0.00433  -0.01060  -0.01518   2.05679
   A31        2.06162   0.00189   0.00650   0.01610   0.02358   2.08519
   A32        2.14957  -0.00018  -0.00209  -0.00559  -0.00847   2.14109
   A33        2.14944   0.00086  -0.00087   0.00286   0.00169   2.15113
   A34        2.05874   0.00004   0.00003   0.00053   0.00065   2.05940
   A35        2.07402  -0.00089   0.00057  -0.00340  -0.00274   2.07128
   A36        2.04106  -0.00035   0.00126   0.00357   0.00475   2.04581
   A37        2.11919   0.00006  -0.00045  -0.00186  -0.00230   2.11689
   A38        2.12214   0.00030  -0.00085  -0.00131  -0.00214   2.12000
   A39        2.11034  -0.00058   0.00026  -0.00131  -0.00120   2.10914
   A40        2.10229   0.00130  -0.00193   0.00510   0.00324   2.10553
   A41        2.07043  -0.00072   0.00168  -0.00381  -0.00206   2.06836
   A42        2.12578  -0.00109  -0.00156  -0.00605  -0.00815   2.11763
   A43        2.07192   0.00101  -0.00280   0.00458   0.00191   2.07383
   A44        2.08258   0.00016   0.00421   0.00348   0.00780   2.09037
   A45        2.06889   0.00087  -0.00149  -0.00085  -0.00245   2.06645
   A46        2.12332  -0.00632   0.00285  -0.05828  -0.05800   2.06532
   A47        2.03374   0.00540  -0.01130   0.05072   0.03873   2.07246
   A48        1.80205   0.00342   0.01353   0.03170   0.04339   1.84544
   A49        1.54106  -0.00297  -0.00405  -0.00490  -0.00977   1.53130
   A50        2.06920  -0.00092   0.00187  -0.00383  -0.00286   2.06634
   A51        2.14526   0.00387  -0.00704   0.00856   0.00212   2.14738
   A52        2.06681  -0.00298   0.00540  -0.00580  -0.00018   2.06663
   A53        2.13669  -0.00067  -0.00120   0.00365   0.00286   2.13955
   A54        2.08943   0.00161  -0.00307   0.00213  -0.00130   2.08812
   A55        2.05705  -0.00093   0.00427  -0.00571  -0.00154   2.05551
   A56        2.06982  -0.00050   0.00101  -0.00226  -0.00093   2.06889
   A57        2.09683   0.00182  -0.00186   0.00544   0.00338   2.10021
   A58        2.09547   0.00051  -0.00509   0.00201  -0.00298   2.09249
   A59        2.09036  -0.00233   0.00696  -0.00741  -0.00034   2.09002
   A60        2.14246   0.00017  -0.00099  -0.00159  -0.00262   2.13984
   A61        2.05152  -0.00083   0.00175  -0.00248  -0.00071   2.05081
   A62        2.08918   0.00065  -0.00076   0.00408   0.00334   2.09252
   A63        2.03394  -0.00104   0.00159  -0.00098   0.00068   2.03462
   A64        2.12041   0.00073  -0.00093   0.00119   0.00023   2.12063
   A65        2.12879   0.00031  -0.00064  -0.00024  -0.00091   2.12788
   A66        2.13485   0.00043  -0.00012   0.00103   0.00090   2.13575
   A67        2.00744   0.00013  -0.00099   0.00107   0.00007   2.00751
   A68        2.14064  -0.00056   0.00108  -0.00219  -0.00112   2.13952
   A69        2.12038   0.00037  -0.00120  -0.00122  -0.00242   2.11796
   A70        2.12821   0.00008  -0.00165  -0.00128  -0.00293   2.12529
   A71        2.03459  -0.00046   0.00285   0.00250   0.00534   2.03994
   A72        2.12291   0.00055  -0.00039   0.00025  -0.00014   2.12277
   A73        2.12496   0.00006  -0.00212  -0.00163  -0.00375   2.12121
   A74        2.03524  -0.00062   0.00255   0.00141   0.00394   2.03918
   A75        2.12819  -0.00001  -0.00095  -0.00232  -0.00327   2.12492
   A76        2.11574   0.00074  -0.00202   0.00091  -0.00112   2.11463
   A77        2.03924  -0.00072   0.00299   0.00142   0.00440   2.04364
   A78        2.13074  -0.00004  -0.00126  -0.00224  -0.00349   2.12725
   A79        2.09536   0.00077  -0.00085   0.00444   0.00358   2.09894
   A80        2.05681  -0.00073   0.00209  -0.00225  -0.00018   2.05663
   A81        2.09669   0.00136  -0.00285   0.00231  -0.00064   2.09605
   A82        2.10001  -0.00132   0.00692  -0.00100   0.00573   2.10575
   A83        2.08534  -0.00002  -0.00350  -0.00047  -0.00417   2.08117
   A84        2.07605  -0.00203   0.00558  -0.00160   0.00407   2.08012
   A85        2.10295   0.00119  -0.00287   0.00140  -0.00152   2.10143
   A86        2.10419   0.00084  -0.00271   0.00020  -0.00255   2.10164
   A87        2.09678   0.00129  -0.00286   0.00192  -0.00105   2.09573
   A88        2.08534  -0.00001  -0.00352  -0.00055  -0.00432   2.08102
   A89        2.09973  -0.00126   0.00715  -0.00046   0.00645   2.10619
   A90        2.13081   0.00003  -0.00118  -0.00188  -0.00303   2.12777
   A91        2.09494   0.00064  -0.00134   0.00357   0.00222   2.09716
   A92        2.05692  -0.00068   0.00257  -0.00182   0.00073   2.05765
   A93        2.13101  -0.00011  -0.00145  -0.00278  -0.00422   2.12679
   A94        2.09398   0.00064  -0.00111   0.00335   0.00223   2.09621
   A95        2.05753  -0.00054   0.00253  -0.00069   0.00182   2.05935
   A96        2.09687   0.00128  -0.00291   0.00193  -0.00108   2.09579
   A97        2.09897  -0.00123   0.00707  -0.00038   0.00649   2.10545
   A98        2.08602  -0.00003  -0.00352  -0.00062  -0.00436   2.08166
   A99        2.07577  -0.00192   0.00585  -0.00087   0.00508   2.08085
   A100       2.10351   0.00127  -0.00325   0.00130  -0.00200   2.10151
   A101       2.10391   0.00066  -0.00260  -0.00044  -0.00309   2.10082
   A102       2.09660   0.00125  -0.00302   0.00166  -0.00146   2.09514
   A103       2.08596  -0.00009  -0.00347  -0.00096  -0.00466   2.08130
   A104       2.09942  -0.00115   0.00719   0.00016   0.00712   2.10654
   A105       2.13148  -0.00005  -0.00133  -0.00251  -0.00382   2.12767
   A106       2.09513   0.00055  -0.00137   0.00295   0.00157   2.09670
   A107       2.05610  -0.00050   0.00273  -0.00058   0.00213   2.05823
   A108       2.12830   0.00005  -0.00154  -0.00202  -0.00355   2.12475
   A109       2.09835   0.00045  -0.00088   0.00257   0.00167   2.10002
   A110       2.05604  -0.00050   0.00240  -0.00062   0.00176   2.05780
   A111       2.09684   0.00130  -0.00284   0.00190  -0.00103   2.09581
   A112       2.09956  -0.00127   0.00700  -0.00057   0.00623   2.10580
   A113       2.08555  -0.00001  -0.00355  -0.00045  -0.00421   2.08134
   A114       2.07653  -0.00193   0.00578  -0.00113   0.00476   2.08129
   A115       2.10235   0.00129  -0.00328   0.00152  -0.00182   2.10054
   A116       2.10431   0.00064  -0.00250  -0.00039  -0.00294   2.10136
   A117       2.09662   0.00130  -0.00302   0.00186  -0.00127   2.09535
   A118       2.08621  -0.00010  -0.00341  -0.00097  -0.00463   2.08157
   A119       2.09909  -0.00118   0.00716   0.00002   0.00695   2.10603
   A120       2.12878   0.00001  -0.00139  -0.00210  -0.00346   2.12532
   A121       2.09232   0.00059  -0.00136   0.00321   0.00183   2.09415
   A122       2.06160  -0.00060   0.00282  -0.00119   0.00161   2.06321
   A123       2.20088  -0.00092   0.00033  -0.00307  -0.00277   2.19811
   A124       2.19876  -0.00014  -0.00073  -0.00104  -0.00179   2.19697
   A125       1.88354   0.00105   0.00041   0.00412   0.00456   1.88810
   A126       2.19972  -0.00033  -0.00029  -0.00138  -0.00169   2.19803
   A127       2.20026  -0.00072  -0.00005  -0.00268  -0.00274   2.19751
   A128       1.88320   0.00105   0.00034   0.00406   0.00444   1.88764
   A129       2.20056  -0.00089   0.00021  -0.00312  -0.00293   2.19762
   A130       2.19927  -0.00018  -0.00060  -0.00102  -0.00164   2.19764
   A131       1.88335   0.00107   0.00040   0.00413   0.00457   1.88792
   A132       1.90020   0.00028   0.00001  -0.00047  -0.00050   1.89970
   A133       2.25698   0.00123  -0.00520   0.00072  -0.00456   2.25242
   A134       2.12298  -0.00148   0.00557   0.00089   0.00637   2.12935
   A135       1.87057  -0.00083  -0.00015  -0.00158  -0.00172   1.86885
   A136       2.08692   0.00068  -0.00411  -0.00132  -0.00546   2.08146
   A137       2.32553   0.00015   0.00424   0.00288   0.00715   2.33268
   A138       1.87043  -0.00083  -0.00011  -0.00160  -0.00170   1.86873
   A139       2.32556   0.00020   0.00407   0.00299   0.00709   2.33265
   A140       2.08706   0.00063  -0.00398  -0.00142  -0.00544   2.08162
   A141       1.90038   0.00033  -0.00009  -0.00041  -0.00054   1.89984
   A142       2.25731   0.00107  -0.00497   0.00034  -0.00470   2.25261
   A143       2.12244  -0.00136   0.00540   0.00122   0.00652   2.12896
   A144       1.90078   0.00038  -0.00012  -0.00032  -0.00047   1.90030
   A145       2.25735   0.00092  -0.00498  -0.00011  -0.00516   2.25219
   A146       2.12210  -0.00127   0.00543   0.00160   0.00694   2.12904
   A147       1.86980  -0.00085  -0.00013  -0.00168  -0.00180   1.86800
   A148       2.08702   0.00060  -0.00404  -0.00160  -0.00567   2.08135
   A149       2.32620   0.00025   0.00415   0.00326   0.00743   2.33363
   A150       1.86977  -0.00084  -0.00020  -0.00159  -0.00177   1.86800
   A151       2.32643   0.00016   0.00434   0.00298   0.00735   2.33377
   A152       2.08685   0.00067  -0.00416  -0.00142  -0.00561   2.08123
   A153       1.90088   0.00025   0.00004  -0.00053  -0.00053   1.90036
   A154       2.25692   0.00124  -0.00529   0.00064  -0.00474   2.25217
   A155       2.12247  -0.00146   0.00563   0.00108   0.00661   2.12907
   A156       1.90061   0.00037  -0.00012  -0.00035  -0.00050   1.90011
   A157       2.25747   0.00097  -0.00495   0.00003  -0.00499   2.25247
   A158       2.12214  -0.00130   0.00540   0.00148   0.00679   2.12893
   A159       1.87007  -0.00085  -0.00011  -0.00167  -0.00177   1.86830
   A160       2.08714   0.00061  -0.00402  -0.00157  -0.00563   2.08152
   A161       2.32582   0.00024   0.00412   0.00321   0.00735   2.33318
   A162       1.87003  -0.00084  -0.00020  -0.00159  -0.00178   1.86826
   A163       2.32604   0.00016   0.00431   0.00296   0.00729   2.33333
   A164       2.08697   0.00067  -0.00412  -0.00139  -0.00555   2.08141
   A165       1.90071   0.00025   0.00003  -0.00053  -0.00054   1.90017
   A166       2.25712   0.00124  -0.00526   0.00067  -0.00468   2.25245
   A167       2.12242  -0.00146   0.00562   0.00103   0.00654   2.12897
   A168       2.08033  -0.00026   0.00029  -0.00065  -0.00040   2.07993
   A169       2.09506   0.00071  -0.00015   0.00339   0.00326   2.09832
   A170       2.10773  -0.00045  -0.00013  -0.00271  -0.00282   2.10491
   A171       2.10184   0.00012   0.00200   0.00236   0.00431   2.10615
   A172       2.09401  -0.00018  -0.00066  -0.00188  -0.00256   2.09145
   A173       2.08728   0.00007  -0.00126  -0.00043  -0.00170   2.08559
   A174       2.12215  -0.00028  -0.00121  -0.00247  -0.00371   2.11844
   A175       2.08784  -0.00027  -0.00008  -0.00112  -0.00121   2.08664
   A176       2.07319   0.00055   0.00132   0.00360   0.00492   2.07811
   A177       2.05102   0.00118  -0.00207   0.00183  -0.00031   2.05071
   A178       2.11902   0.00002  -0.00384  -0.00141  -0.00529   2.11373
   A179       2.11291  -0.00119   0.00607  -0.00022   0.00581   2.11872
   A180       2.05049   0.00124  -0.00214   0.00205  -0.00015   2.05034
   A181       2.11926   0.00004  -0.00398  -0.00138  -0.00540   2.11386
   A182       2.11316  -0.00127   0.00629  -0.00047   0.00578   2.11894
   A183       2.12239  -0.00028  -0.00126  -0.00253  -0.00380   2.11859
   A184       2.07276   0.00057   0.00135   0.00376   0.00511   2.07787
   A185       2.08802  -0.00029  -0.00007  -0.00123  -0.00130   2.08672
   A186       2.10189   0.00010   0.00204   0.00230   0.00430   2.10619
   A187       2.08729   0.00007  -0.00126  -0.00036  -0.00163   2.08566
   A188       2.09393  -0.00018  -0.00070  -0.00188  -0.00259   2.09133
   A189       2.08015  -0.00024   0.00030  -0.00056  -0.00030   2.07986
   A190       2.09503   0.00071  -0.00016   0.00341   0.00326   2.09829
   A191       2.10793  -0.00047  -0.00012  -0.00282  -0.00293   2.10500
   A192       2.08049  -0.00025   0.00030  -0.00061  -0.00034   2.08015
   A193       2.09475   0.00073  -0.00018   0.00349   0.00333   2.09808
   A194       2.10788  -0.00048  -0.00011  -0.00286  -0.00295   2.10493
   A195       2.10169   0.00012   0.00207   0.00240   0.00442   2.10611
   A196       2.09406  -0.00018  -0.00071  -0.00190  -0.00263   2.09144
   A197       2.08738   0.00006  -0.00128  -0.00045  -0.00174   2.08564
   A198       2.12251  -0.00028  -0.00127  -0.00256  -0.00385   2.11865
   A199       2.08770  -0.00028  -0.00009  -0.00118  -0.00127   2.08643
   A200       2.07297   0.00057   0.00138   0.00375   0.00513   2.07810
   A201       2.05091   0.00122  -0.00214   0.00195  -0.00026   2.05065
   A202       2.11765   0.00007  -0.00413  -0.00130  -0.00549   2.11217
   A203       2.11441  -0.00128   0.00645  -0.00046   0.00594   2.12036
   A204       2.05110   0.00114  -0.00209   0.00162  -0.00053   2.05056
   A205       2.11805   0.00003  -0.00395  -0.00139  -0.00538   2.11267
   A206       2.11377  -0.00117   0.00620  -0.00001   0.00615   2.11992
   A207       2.12246  -0.00029  -0.00123  -0.00253  -0.00378   2.11868
   A208       2.07320   0.00053   0.00139   0.00353   0.00492   2.07812
   A209       2.08752  -0.00024  -0.00014  -0.00100  -0.00114   2.08639
   A210       2.10166   0.00014   0.00204   0.00253   0.00452   2.10618
   A211       2.08729   0.00006  -0.00129  -0.00049  -0.00179   2.08550
   A212       2.09415  -0.00020  -0.00067  -0.00197  -0.00266   2.09150
   A213       2.08050  -0.00029   0.00028  -0.00074  -0.00049   2.08000
   A214       2.09505   0.00070  -0.00010   0.00335   0.00327   2.09832
   A215       2.10756  -0.00041  -0.00018  -0.00258  -0.00274   2.10482
   A216       2.08043  -0.00024   0.00029  -0.00059  -0.00033   2.08009
   A217       2.09494   0.00071  -0.00014   0.00340   0.00327   2.09821
   A218       2.10776  -0.00046  -0.00013  -0.00279  -0.00290   2.10485
   A219       2.10169   0.00011   0.00206   0.00236   0.00437   2.10607
   A220       2.09405  -0.00018  -0.00071  -0.00190  -0.00263   2.09142
   A221       2.08738   0.00007  -0.00127  -0.00040  -0.00168   2.08570
   A222       2.12243  -0.00028  -0.00126  -0.00253  -0.00381   2.11862
   A223       2.08778  -0.00029  -0.00008  -0.00121  -0.00129   2.08649
   A224       2.07297   0.00057   0.00136   0.00374   0.00511   2.07808
   A225       2.05094   0.00122  -0.00214   0.00196  -0.00025   2.05069
   A226       2.11821   0.00005  -0.00407  -0.00136  -0.00548   2.11273
   A227       2.11378  -0.00127   0.00639  -0.00039   0.00595   2.11974
   A228       2.05103   0.00116  -0.00207   0.00171  -0.00042   2.05061
   A229       2.11872   0.00001  -0.00394  -0.00151  -0.00550   2.11322
   A230       2.11321  -0.00117   0.00618  -0.00001   0.00612   2.11934
   A231       2.12246  -0.00029  -0.00122  -0.00253  -0.00377   2.11869
   A232       2.07285   0.00057   0.00134   0.00373   0.00507   2.07792
   A233       2.08787  -0.00028  -0.00010  -0.00120  -0.00130   2.08657
   A234       2.10167   0.00012   0.00200   0.00246   0.00442   2.10608
   A235       2.08736   0.00006  -0.00125  -0.00045  -0.00172   2.08564
   A236       2.09410  -0.00019  -0.00068  -0.00195  -0.00264   2.09146
   A237       2.08041  -0.00027   0.00031  -0.00068  -0.00041   2.08000
   A238       2.09492   0.00072  -0.00016   0.00344   0.00330   2.09821
   A239       2.10780  -0.00045  -0.00014  -0.00274  -0.00286   2.10494
   A240       2.03956  -0.00310   0.00049  -0.03195  -0.03204   2.00753
   A241       1.81311   0.00106  -0.02168   0.00644  -0.01337   1.79973
   A242       1.67837   0.00384   0.00470   0.02172   0.02616   1.70453
   A243       2.07180   0.00129   0.01101   0.01042   0.01993   2.09173
   A244       2.04442  -0.00272  -0.00255  -0.01987  -0.02240   2.02202
   A245       1.75499   0.00064   0.00620   0.02206   0.02827   1.78326
   A246       2.22909  -0.00051   0.00607  -0.00376   0.00106   2.23015
   A247       2.07391  -0.00217   0.00108  -0.01017  -0.00909   2.06482
   A248       1.85572   0.00088  -0.00123   0.00249   0.00204   1.85777
   A249       1.88963  -0.00045  -0.00445  -0.01278  -0.01731   1.87231
   A250       1.89519  -0.00037  -0.00322   0.00510   0.00098   1.89617
   A251       1.96113   0.00062   0.00701   0.00619   0.01276   1.97389
   A252       1.96881  -0.00075   0.00472   0.00108   0.00604   1.97484
   A253       1.89074   0.00005  -0.00335  -0.00262  -0.00589   1.88485
   A254       1.89785   0.00068  -0.00012   0.00381   0.00369   1.90155
   A255       1.94215  -0.00013  -0.00091  -0.00147  -0.00238   1.93976
   A256       1.93890   0.00001  -0.00085  -0.00000  -0.00085   1.93805
   A257       1.89271  -0.00027  -0.00006  -0.00152  -0.00158   1.89113
   A258       1.89181  -0.00030  -0.00020  -0.00138  -0.00158   1.89022
   A259       1.89920  -0.00001   0.00217   0.00051   0.00268   1.90188
   A260       1.87930  -0.00003  -0.00022  -0.00206  -0.00229   1.87702
   A261       1.89913  -0.00013  -0.00235  -0.00393  -0.00628   1.89285
   A262       1.88995   0.00028  -0.00408   0.00033  -0.00375   1.88619
   A263       1.94718  -0.00017   0.00144  -0.00013   0.00128   1.94847
   A264       1.96157  -0.00057   0.00280  -0.00169   0.00109   1.96266
   A265       1.88518   0.00063   0.00209   0.00727   0.00931   1.89448
   A266       1.93326   0.00044  -0.00041   0.00305   0.00263   1.93589
   A267       1.91153   0.00023  -0.00028   0.00035   0.00007   1.91160
   A268       1.93536   0.00009  -0.00011   0.00074   0.00062   1.93599
   A269       1.89367  -0.00032  -0.00007  -0.00183  -0.00190   1.89177
   A270       1.89500  -0.00026   0.00082  -0.00100  -0.00018   1.89482
   A271       1.89408  -0.00021   0.00008  -0.00146  -0.00139   1.89270
   A272       1.88417  -0.00124   0.00733   0.00859   0.01577   1.89994
   A273       1.74171   0.00085  -0.00115   0.00289   0.00092   1.74264
   A274       1.52800  -0.00086  -0.00532   0.00149  -0.00683   1.52117
   A275       1.74463  -0.00089  -0.00383  -0.01622  -0.02274   1.72189
   A276       1.09089   0.00051  -0.00058   0.00566   0.00612   1.09700
   A277       1.31929   0.00107  -0.00450   0.00101  -0.00282   1.31647
   A278       0.59876   0.00040   0.00255   0.00460   0.00730   0.60606
    D1        0.01455  -0.00004   0.00330  -0.00017   0.00314   0.01769
    D2       -3.13500  -0.00049  -0.00266  -0.01537  -0.01801   3.13017
    D3       -3.13632  -0.00000   0.00442   0.00145   0.00586  -3.13045
    D4       -0.00269  -0.00045  -0.00154  -0.01375  -0.01529  -0.01798
    D5        0.00071  -0.00021  -0.00416  -0.00856  -0.01274  -0.01203
    D6        3.12812  -0.00029  -0.00233  -0.00837  -0.01074   3.11738
    D7       -3.13162  -0.00024  -0.00528  -0.01018  -0.01546   3.13610
    D8       -0.00421  -0.00032  -0.00345  -0.00999  -0.01346  -0.01767
    D9        2.96724  -0.00169  -0.01975  -0.05896  -0.07869   2.88854
   D10       -0.17480  -0.00167  -0.01853  -0.05797  -0.07650  -0.25130
   D11       -0.18398  -0.00166  -0.01858  -0.05729  -0.07587  -0.25985
   D12        2.95716  -0.00164  -0.01736  -0.05630  -0.07367   2.88350
   D13       -0.01701   0.00041   0.00162   0.01423   0.01588  -0.00113
   D14       -3.06035  -0.00003   0.00675   0.00268   0.00943  -3.05091
   D15        3.13254   0.00087   0.00758   0.02942   0.03703  -3.11362
   D16        0.08920   0.00043   0.01271   0.01787   0.03058   0.11978
   D17        0.00415  -0.00054  -0.00575  -0.01963  -0.02548  -0.02133
   D18        3.13787  -0.00037  -0.00415  -0.01603  -0.01993   3.11794
   D19        3.05092  -0.00008  -0.01073  -0.00862  -0.01937   3.03155
   D20       -0.09856   0.00009  -0.00913  -0.00502  -0.01381  -0.11237
   D21        3.08197   0.00130   0.01164   0.04015   0.05202   3.13399
   D22        0.00908   0.00145   0.02330   0.04690   0.07009   0.07917
   D23        0.03900   0.00090   0.01682   0.02889   0.04587   0.08487
   D24       -3.03389   0.00104   0.02849   0.03564   0.06394  -2.96995
   D25        0.01060   0.00029   0.00500   0.01144   0.01657   0.02717
   D26        3.13593   0.00029   0.00246   0.00963   0.01223  -3.13503
   D27       -3.12324   0.00013   0.00340   0.00789   0.01110  -3.11213
   D28        0.00209   0.00012   0.00087   0.00609   0.00676   0.00885
   D29       -0.07454  -0.00040  -0.01657  -0.02193  -0.03866  -0.11320
   D30        3.05777  -0.00107  -0.01190  -0.03214  -0.04504   3.01273
   D31        3.05918  -0.00024  -0.01495  -0.01832  -0.03311   3.02607
   D32       -0.09170  -0.00090  -0.01028  -0.02854  -0.03948  -0.13118
   D33       -0.01317   0.00009   0.00008   0.00300   0.00304  -0.01013
   D34       -3.14075   0.00015  -0.00169   0.00275   0.00103  -3.13972
   D35       -3.13782   0.00006   0.00276   0.00474   0.00747  -3.13035
   D36        0.01778   0.00012   0.00099   0.00449   0.00547   0.02325
   D37        0.19632  -0.00094   0.00168  -0.02411  -0.02287   0.17345
   D38       -2.85450  -0.00145   0.00391  -0.04357  -0.04073  -2.89524
   D39       -3.01175  -0.00090  -0.00956  -0.02988  -0.03922  -3.05097
   D40        0.22061  -0.00141  -0.00733  -0.04934  -0.05708   0.16353
   D41        2.96223   0.00079  -0.01147   0.01962   0.00840   2.97063
   D42       -0.13112   0.00070  -0.00284   0.01993   0.01729  -0.11382
   D43       -0.11209   0.00092  -0.00003   0.02623   0.02611  -0.08598
   D44        3.07775   0.00083   0.00860   0.02654   0.03500   3.11275
   D45       -0.36868   0.00011  -0.02791  -0.00633  -0.03416  -0.40283
   D46        2.94930   0.00140   0.00380   0.04510   0.04811   2.99740
   D47        1.13577  -0.00033  -0.04561  -0.02235  -0.06951   1.06625
   D48        2.67735   0.00116  -0.02995   0.01633  -0.01342   2.66393
   D49       -0.28786   0.00245   0.00175   0.06776   0.06884  -0.21902
   D50       -2.10139   0.00072  -0.04766   0.00031  -0.04878  -2.15016
   D51       -0.16016   0.00105   0.00993   0.03883   0.04918  -0.11098
   D52        2.89898   0.00221   0.00789   0.06743   0.07564   2.97462
   D53        3.07549   0.00003   0.01216   0.01723   0.02955   3.10504
   D54       -0.14855   0.00120   0.01012   0.04582   0.05600  -0.09255
   D55        0.30779  -0.00001   0.03490   0.02727   0.06234   0.37013
   D56       -2.82402   0.00068   0.02986   0.03791   0.06876  -2.75526
   D57       -3.00097  -0.00162   0.00453  -0.02576  -0.02356  -3.02453
   D58        0.15040  -0.00093  -0.00050  -0.01512  -0.01715   0.13326
   D59       -1.48862   0.00359   0.03943   0.05795   0.09843  -1.39020
   D60        1.66275   0.00428   0.03439   0.06859   0.10484   1.76759
   D61        2.76212  -0.00031  -0.02773  -0.01989  -0.04670   2.71543
   D62       -0.74890   0.00069  -0.06614  -0.03505  -0.09840  -0.84730
   D63       -0.20443   0.00106   0.00390   0.03187   0.03681  -0.16762
   D64        2.56773   0.00206  -0.03450   0.01671  -0.01489   2.55283
   D65        2.41576  -0.00400   0.03141  -0.05135  -0.01783   2.39794
   D66        1.85522  -0.00442   0.02942  -0.06275  -0.03087   1.82435
   D67       -1.82973  -0.00294   0.02579  -0.04411  -0.01679  -1.84651
   D68       -2.39027  -0.00336   0.02379  -0.05551  -0.02983  -2.42010
   D69        3.13947   0.00109  -0.00316   0.00600   0.00450  -3.13922
   D70       -0.01185   0.00039   0.00171  -0.00472  -0.00222  -0.01408
   D71       -0.06532   0.00042   0.00555   0.01159   0.01710  -0.04823
   D72        3.11846  -0.00006   0.00690   0.00095   0.00784   3.12630
   D73        3.02762   0.00054  -0.00316   0.01138   0.00824   3.03586
   D74       -0.07178   0.00006  -0.00181   0.00074  -0.00102  -0.07280
   D75        0.13275  -0.00081  -0.00308  -0.02347  -0.02654   0.10621
   D76       -3.02589  -0.00104  -0.00246  -0.02580  -0.02813  -3.05402
   D77       -3.05111  -0.00033  -0.00443  -0.01282  -0.01726  -3.06838
   D78        0.07343  -0.00057  -0.00381  -0.01515  -0.01886   0.05458
   D79        3.02059  -0.00090  -0.01385  -0.03425  -0.04812   2.97247
   D80       -0.13435  -0.00086  -0.01111  -0.03168  -0.04283  -0.17718
   D81       -0.07684  -0.00138  -0.01248  -0.04550  -0.05794  -0.13478
   D82        3.05141  -0.00135  -0.00974  -0.04293  -0.05265   2.99875
   D83       -0.01998  -0.00021  -0.00489  -0.00298  -0.00766  -0.02764
   D84       -3.07863  -0.00142  -0.00254  -0.03179  -0.03409  -3.11272
   D85        3.13835  -0.00000  -0.00547  -0.00078  -0.00615   3.13220
   D86        0.07970  -0.00121  -0.00311  -0.02959  -0.03258   0.04713
   D87        0.13371  -0.00067  -0.00822  -0.03047  -0.03884   0.09487
   D88       -2.94034  -0.00000  -0.01223  -0.01150  -0.02420  -2.96454
   D89       -2.65723   0.00079   0.02619   0.00625   0.03339  -2.62384
   D90        0.55191   0.00146   0.02218   0.02522   0.04803   0.59993
   D91       -1.00295   0.00065   0.02587   0.03121   0.05786  -0.94509
   D92        2.20619   0.00132   0.02187   0.05018   0.07250   2.27868
   D93       -0.03025   0.00203   0.04283   0.07232   0.11462   0.08438
   D94       -2.34847   0.00178   0.04761   0.07777   0.12416  -2.22431
   D95        2.14575  -0.00012   0.04318   0.04768   0.08984   2.23559
   D96        2.74894   0.00217   0.00652   0.04770   0.05442   2.80336
   D97        0.43072   0.00192   0.01130   0.05316   0.06396   0.49467
   D98       -1.35826   0.00002   0.00687   0.02306   0.02964  -1.32862
   D99        0.93431  -0.00066  -0.00557   0.00989   0.00624   0.94055
   D100      -1.38391  -0.00091  -0.00079   0.01534   0.01578  -1.36814
   D101       3.11030  -0.00282  -0.00522  -0.01475  -0.01854   3.09176
   D102      -0.86896  -0.00329   0.01755  -0.06831  -0.05187  -0.92083
   D103      -1.46469  -0.00333   0.01222  -0.07489  -0.06368  -1.52837
   D104       1.17083   0.00183   0.00618  -0.01451  -0.01007   1.16076
   D105       0.57510   0.00179   0.00085  -0.02109  -0.02189   0.55321
   D106       0.00613  -0.00001   0.00937   0.00935   0.01837   0.02450
   D107       3.14075   0.00043   0.00714   0.02108   0.02793  -3.11451
   D108       3.08326  -0.00038   0.01263  -0.00819   0.00452   3.08778
   D109      -0.06531   0.00006   0.01040   0.00353   0.01407  -0.05124
   D110       3.12670  -0.00052  -0.00711  -0.01950  -0.02650   3.10021
   D111       0.01970  -0.00050  -0.00758  -0.02106  -0.02851  -0.00880
   D112       0.05256   0.00008  -0.01097  -0.00063  -0.01176   0.04080
   D113      -3.05444   0.00010  -0.01144  -0.00218  -0.01377  -3.06820
   D114      -0.06688   0.00040  -0.00609   0.00859   0.00245  -0.06443
   D115       3.08157  -0.00004  -0.00390  -0.00296  -0.00694   3.07463
   D116       0.02757  -0.00006  -0.00140  -0.00212  -0.00356   0.02401
   D117      -3.13771  -0.00017  -0.00319  -0.00647  -0.00970   3.13577
   D118      -3.12069   0.00036  -0.00353   0.00912   0.00556  -3.11513
   D119      -0.00279   0.00025  -0.00533   0.00476  -0.00058  -0.00337
   D120      -0.00123  -0.00018   0.00273  -0.00374  -0.00100  -0.00223
   D121      -3.13572  -0.00031   0.00383  -0.00672  -0.00287  -3.13859
   D122       3.10587  -0.00015   0.00296  -0.00200   0.00095   3.10682
   D123      -0.02862  -0.00027   0.00406  -0.00498  -0.00092  -0.02954
   D124      -0.03674   0.00007   0.00651   0.00481   0.01132  -0.02542
   D125       3.11528   0.00018   0.00449   0.00708   0.01156   3.12684
   D126       3.09760   0.00019   0.00539   0.00782   0.01322   3.11083
   D127      -0.03356   0.00030   0.00337   0.01009   0.01346  -0.02010
   D128       0.02302   0.00008  -0.00708  -0.00178  -0.00887   0.01415
   D129      -3.09307   0.00019  -0.00512   0.00286  -0.00229  -3.09536
   D130      -3.12906  -0.00003  -0.00505  -0.00404  -0.00910  -3.13816
   D131       0.03803   0.00008  -0.00310   0.00059  -0.00252   0.03552
   D132       0.15074   0.00128   0.01765   0.04561   0.06325   0.21399
   D133      -2.98552   0.00121   0.01529   0.04244   0.05775  -2.92777
   D134      -2.97986   0.00141   0.01550   0.04800   0.06349  -2.91636
   D135       0.16708   0.00134   0.01314   0.04484   0.05798   0.22506
   D136      -3.13817   0.00008   0.00451   0.00447   0.00901  -3.12916
   D137      -0.03669  -0.00006   0.00352   0.00073   0.00431  -0.03238
   D138       0.00385   0.00006   0.00337   0.00353   0.00691   0.01076
   D139       3.10533  -0.00008   0.00238  -0.00021   0.00222   3.10755
   D140      -3.13633   0.00006  -0.00106   0.00119   0.00015  -3.13618
   D141      -0.02821  -0.00017   0.00010  -0.00402  -0.00386  -0.03208
   D142       0.00484   0.00008   0.00009   0.00214   0.00226   0.00709
   D143       3.11295  -0.00015   0.00125  -0.00307  -0.00176   3.11119
   D144       3.14101   0.00011   0.00719   0.00678   0.01400  -3.12817
   D145      -0.02639   0.00002   0.00596   0.00424   0.01026  -0.01613
   D146       0.01211   0.00007   0.00464   0.00436   0.00901   0.02112
   D147       3.12790  -0.00001   0.00341   0.00182   0.00526   3.13316
   D148      -3.13305   0.00003  -0.00353  -0.00105  -0.00456  -3.13761
   D149      -0.02662  -0.00019  -0.00194  -0.00552  -0.00740  -0.03402
   D150      -0.00416   0.00007  -0.00096   0.00139   0.00046  -0.00371
   D151       3.10226  -0.00015   0.00063  -0.00308  -0.00239   3.09988
   D152       3.13764  -0.00010  -0.00575  -0.00593  -0.01170   3.12593
   D153       0.03081  -0.00000  -0.00482  -0.00312  -0.00800   0.02281
   D154      -0.00907  -0.00004  -0.00351  -0.00290  -0.00642  -0.01549
   D155      -3.11590   0.00007  -0.00259  -0.00009  -0.00272  -3.11862
   D156       3.13688  -0.00003   0.00238   0.00035   0.00272   3.13960
   D157       0.02920   0.00013   0.00043   0.00307   0.00346   0.03265
   D158       0.00037  -0.00010   0.00016  -0.00265  -0.00252  -0.00215
   D159      -3.10732   0.00006  -0.00180   0.00008  -0.00178  -3.10910
   D160      -0.01092  -0.00014  -0.00389  -0.00567  -0.00959  -0.02051
   D161       3.07904   0.00034   0.00603   0.01334   0.01955   3.09859
   D162      -3.12725  -0.00008  -0.00265  -0.00328  -0.00598  -3.13324
   D163      -0.03730   0.00040   0.00726   0.01574   0.02315  -0.01414
   D164       0.00136   0.00006  -0.00066   0.00113   0.00050   0.00186
   D165      -3.13755   0.00005  -0.00038   0.00100   0.00065  -3.13690
   D166      -3.08903  -0.00037  -0.01097  -0.01771  -0.02851  -3.11755
   D167       0.05524  -0.00039  -0.01069  -0.01784  -0.02837   0.02687
   D168       0.00636   0.00008   0.00424   0.00449   0.00875   0.01511
   D169      -3.07991  -0.00030  -0.00826  -0.01427  -0.02233  -3.10224
   D170      -3.13791   0.00010   0.00396   0.00463   0.00861  -3.12931
   D171       0.05900  -0.00029  -0.00853  -0.01413  -0.02247   0.03653
   D172       0.76879   0.00138   0.04352   0.04850   0.09203   0.86082
   D173      -2.37801   0.00141   0.04444   0.04974   0.09417  -2.28384
   D174      -2.37008   0.00137   0.04380   0.04837   0.09217  -2.27791
   D175       0.76631   0.00140   0.04471   0.04960   0.09431   0.86062
   D176      -0.00491  -0.00015  -0.00346  -0.00583  -0.00930  -0.01421
   D177      -3.11207   0.00004  -0.00493  -0.00156  -0.00655  -3.11862
   D178       3.08090   0.00028   0.00859   0.01308   0.02188   3.10278
   D179      -0.02626   0.00047   0.00711   0.01735   0.02464  -0.00162
   D180      -0.00882  -0.00015  -0.00361  -0.00598  -0.00962  -0.01843
   D181       3.07709   0.00032   0.00673   0.01342   0.02035   3.09744
   D182      -3.11110  -0.00004  -0.00257  -0.00241  -0.00503  -3.11613
   D183      -0.02519   0.00044   0.00778   0.01699   0.02493  -0.00026
   D184       0.00503   0.00010   0.00030   0.00268   0.00302   0.00805
   D185      -3.13515   0.00006   0.00089   0.00204   0.00297  -3.13217
   D186      -3.08129  -0.00034  -0.01048  -0.01659  -0.02689  -3.10817
   D187       0.06172  -0.00038  -0.00989  -0.01722  -0.02693   0.03479
   D188       0.00340   0.00004   0.00306   0.00286   0.00595   0.00935
   D189      -3.08561  -0.00035  -0.00892  -0.01586  -0.02458  -3.11019
   D190      -3.13960   0.00009   0.00247   0.00350   0.00599  -3.13361
   D191       0.05457  -0.00031  -0.00950  -0.01523  -0.02454   0.03003
   D192      -2.36639   0.00149   0.04643   0.05265   0.09907  -2.26732
   D193       0.77756   0.00153   0.04605   0.05344   0.09949   0.87706
   D194       0.77664   0.00145   0.04702   0.05200   0.09902   0.87566
   D195      -2.36259   0.00149   0.04665   0.05280   0.09944  -2.26315
   D196      -0.00851  -0.00014  -0.00330  -0.00534  -0.00867  -0.01718
   D197      -3.11734   0.00007  -0.00435  -0.00031  -0.00473  -3.12207
   D198       3.08010   0.00030   0.00824   0.01349   0.02195   3.10205
   D199      -0.02873   0.00051   0.00719   0.01852   0.02589  -0.00284
   D200       0.01033   0.00014   0.00348   0.00556   0.00907   0.01939
   D201      -3.07761  -0.00033  -0.00663  -0.01365  -0.02047  -3.09808
   D202       3.11796   0.00006   0.00252   0.00288   0.00545   3.12341
   D203       0.03003  -0.00042  -0.00759  -0.01633  -0.02408   0.00594
   D204      -0.00261  -0.00010  -0.00001  -0.00262  -0.00267  -0.00527
   D205       3.13702  -0.00005  -0.00035  -0.00166  -0.00205   3.13497
   D206       3.08576   0.00033   0.01052   0.01643   0.02677   3.11253
   D207      -0.05780   0.00038   0.01018   0.01739   0.02739  -0.03041
   D208      -0.00587  -0.00004  -0.00325  -0.00281  -0.00609  -0.01196
   D209       3.08173   0.00037   0.00894   0.01643   0.02517   3.10690
   D210       3.13769  -0.00009  -0.00292  -0.00377  -0.00671   3.13098
   D211      -0.05789   0.00032   0.00928   0.01546   0.02455  -0.03334
   D212       2.37110  -0.00150  -0.04596  -0.05267  -0.09862   2.27248
   D213      -0.77289  -0.00151  -0.04517  -0.05240  -0.09757  -0.87046
   D214      -0.77249  -0.00146  -0.04629  -0.05169  -0.09799  -0.87048
   D215       2.36671  -0.00146  -0.04550  -0.05143  -0.09693   2.26978
   D216       0.00704   0.00015   0.00322   0.00553   0.00877   0.01581
   D217       3.11530   0.00001   0.00505   0.00294   0.00805   3.12335
   D218      -3.08016  -0.00030  -0.00853  -0.01382  -0.02257  -3.10273
   D219       0.02810  -0.00044  -0.00670  -0.01641  -0.02329   0.00481
   D220      -3.13871   0.00001  -0.00053  -0.00021  -0.00073  -3.13944
   D221       0.08586  -0.00041  -0.00533  -0.01669  -0.02190   0.06395
   D222       0.00087  -0.00002  -0.00021  -0.00089  -0.00109  -0.00022
   D223      -3.05775  -0.00044  -0.00501  -0.01736  -0.02227  -3.08001
   D224       3.13766   0.00001  -0.00084  -0.00033  -0.00116   3.13649
   D225       0.07848  -0.00040  -0.00619  -0.01707  -0.02314   0.05534
   D226      -0.00193   0.00005  -0.00116   0.00035  -0.00080  -0.00273
   D227      -3.06110  -0.00036  -0.00651  -0.01639  -0.02278  -3.08388
   D228       3.13787   0.00004   0.00005   0.00087   0.00093   3.13879
   D229       0.08018  -0.00033  -0.00518  -0.01498  -0.02004   0.06014
   D230       0.00070   0.00002  -0.00073  -0.00017  -0.00088  -0.00018
   D231      -3.05699  -0.00036  -0.00595  -0.01601  -0.02185  -3.07884
   D232      -3.13925  -0.00002  -0.00145  -0.00154  -0.00298   3.14095
   D233       0.08670  -0.00041  -0.00615  -0.01737  -0.02341   0.06329
   D234      -0.00209   0.00000  -0.00067  -0.00050  -0.00117  -0.00325
   D235      -3.05931  -0.00039  -0.00538  -0.01633  -0.02160  -3.08092
   D236       3.14034   0.00001   0.00110   0.00110   0.00218  -3.14067
   D237      -0.08435   0.00042   0.00587   0.01738   0.02314  -0.06121
   D238       0.00078   0.00002   0.00043   0.00087   0.00129   0.00207
   D239       3.05928   0.00043   0.00520   0.01716   0.02225   3.08153
   D240      -3.13911  -0.00004   0.00033  -0.00047  -0.00015  -3.13925
   D241      -0.08012   0.00036   0.00577   0.01596   0.02161  -0.05851
   D242       0.00045  -0.00004   0.00100  -0.00025   0.00074   0.00119
   D243       3.05944   0.00035   0.00644   0.01618   0.02250   3.08194
   D244       0.00091  -0.00004   0.00180   0.00075   0.00253   0.00344
   D245      -3.12354  -0.00001   0.00239   0.00165   0.00398  -3.11957
   D246       3.06628   0.00045   0.00586   0.01515   0.02113   3.08741
   D247      -0.05818   0.00048   0.00645   0.01604   0.02258  -0.03560
   D248       3.10167   0.00013  -0.00086   0.00380   0.00286   3.10453
   D249      -0.01531  -0.00005  -0.00705  -0.00565  -0.01266  -0.02796
   D250       0.05335  -0.00038  -0.00630  -0.01376  -0.02016   0.03319
   D251      -3.06363  -0.00057  -0.01249  -0.02321  -0.03568  -3.09931
   D252      -0.00217   0.00004  -0.00219  -0.00104  -0.00319  -0.00535
   D253       3.12057   0.00000  -0.00372  -0.00274  -0.00642   3.11414
   D254       3.11896   0.00001  -0.00300  -0.00218  -0.00514   3.11383
   D255      -0.04149  -0.00003  -0.00453  -0.00388  -0.00837  -0.04986
   D256       0.02030  -0.00018  -0.00223  -0.00618  -0.00842   0.01189
   D257      -3.13358  -0.00013  -0.00117  -0.00407  -0.00522  -3.13880
   D258      -3.09881  -0.00013  -0.00138  -0.00493  -0.00634  -3.10515
   D259       0.03049  -0.00008  -0.00032  -0.00283  -0.00314   0.02735
   D260       0.00263  -0.00003   0.00177   0.00095   0.00269   0.00532
   D261       3.06762   0.00046   0.00539   0.01528   0.02079   3.08841
   D262      -3.12317   0.00001   0.00298   0.00231   0.00522  -3.11795
   D263      -0.05818   0.00050   0.00660   0.01664   0.02332  -0.03486
   D264      -3.10037  -0.00014  -0.00052  -0.00472  -0.00525  -3.10563
   D265       0.02917  -0.00007   0.00014  -0.00235  -0.00220   0.02697
   D266       0.02050  -0.00019  -0.00217  -0.00658  -0.00875   0.01175
   D267      -3.13314  -0.00013  -0.00151  -0.00421  -0.00569  -3.13883
   D268       3.10125   0.00014  -0.00160   0.00339   0.00172   3.10297
   D269      -0.01750  -0.00007  -0.00780  -0.00649  -0.01425  -0.03175
   D270       0.05341  -0.00039  -0.00648  -0.01412  -0.02070   0.03271
   D271      -3.06534  -0.00059  -0.01268  -0.02401  -0.03667  -3.10201
   D272       0.00049  -0.00001   0.00146   0.00107   0.00250   0.00299
   D273      -3.12451   0.00001   0.00260   0.00208   0.00461  -3.11990
   D274       3.06676   0.00049   0.00517   0.01594   0.02124   3.08800
   D275      -0.05824   0.00051   0.00632   0.01695   0.02335  -0.03489
   D276       3.10248   0.00015  -0.00122   0.00390   0.00260   3.10508
   D277      -0.01423  -0.00007  -0.00712  -0.00621  -0.01328  -0.02752
   D278       0.05306  -0.00040  -0.00621  -0.01431  -0.02062   0.03244
   D279      -3.06365  -0.00062  -0.01210  -0.02442  -0.03651  -3.10016
   D280      -0.00165   0.00004  -0.00214  -0.00084  -0.00294  -0.00459
   D281       3.12116   0.00001  -0.00296  -0.00212  -0.00504   3.11612
   D282       3.12012   0.00002  -0.00361  -0.00212  -0.00569   3.11443
   D283      -0.04026  -0.00002  -0.00443  -0.00340  -0.00779  -0.04805
   D284       0.02076  -0.00020  -0.00209  -0.00679  -0.00887   0.01189
   D285      -3.13370  -0.00012  -0.00151  -0.00413  -0.00562  -3.13932
   D286      -3.09905  -0.00016  -0.00052  -0.00539  -0.00592  -3.10496
   D287       0.02968  -0.00008   0.00006  -0.00273  -0.00266   0.02701
   D288       0.00221  -0.00006   0.00205   0.00030   0.00232   0.00453
   D289       3.06894   0.00046   0.00621   0.01549   0.02184   3.09078
   D290      -3.12366  -0.00003   0.00264   0.00132   0.00390  -3.11976
   D291      -0.05693   0.00049   0.00681   0.01651   0.02342  -0.03351
   D292      -3.10062  -0.00014  -0.00128  -0.00506  -0.00636  -3.10698
   D293       0.02946  -0.00008  -0.00035  -0.00275  -0.00309   0.02637
   D294       0.02033  -0.00019  -0.00214  -0.00646  -0.00861   0.01172
   D295      -3.13277  -0.00013  -0.00121  -0.00416  -0.00534  -3.13811
   D296       3.10205   0.00016  -0.00115   0.00443   0.00320   3.10525
   D297      -0.01791  -0.00004  -0.00760  -0.00555  -0.01310  -0.03101
   D298       0.05204  -0.00038  -0.00673  -0.01410  -0.02094   0.03109
   D299      -3.06793  -0.00058  -0.01317  -0.02409  -0.03724  -3.10517
   D300      -0.00167   0.00001  -0.00164  -0.00115  -0.00276  -0.00443
   D301       3.12397  -0.00001  -0.00271  -0.00221  -0.00486   3.11912
   D302      -3.06784  -0.00048  -0.00533  -0.01585  -0.02131  -3.08915
   D303       0.05780  -0.00051  -0.00640  -0.01692  -0.02341   0.03440
   D304      -3.10231  -0.00014   0.00135  -0.00355  -0.00213  -3.10444
   D305       0.01715   0.00006   0.00751   0.00628   0.01375   0.03090
   D306      -0.05303   0.00040   0.00630   0.01446   0.02086  -0.03217
   D307       3.06643   0.00061   0.01247   0.02429   0.03674   3.10317
   D308       0.00192  -0.00004   0.00223   0.00098   0.00316   0.00508
   D309      -3.12031  -0.00001   0.00307   0.00232   0.00534  -3.11497
   D310      -3.12063  -0.00001   0.00360   0.00233   0.00589  -3.11474
   D311       0.04033   0.00003   0.00444   0.00367   0.00806   0.04839
   D312      -0.02034   0.00019   0.00213   0.00659   0.00873  -0.01162
   D313       3.13287   0.00013   0.00143   0.00432   0.00573   3.13860
   D314       3.10033   0.00014   0.00066   0.00512   0.00579   3.10612
   D315      -0.02964   0.00008  -0.00004   0.00284   0.00280  -0.02685
   D316      -0.00147   0.00005  -0.00200  -0.00046  -0.00242  -0.00389
   D317      -3.06805  -0.00045  -0.00625  -0.01536  -0.02174  -3.08979
   D318       3.12391   0.00002  -0.00261  -0.00152  -0.00406   3.11985
   D319       0.05733  -0.00049  -0.00686  -0.01643  -0.02338   0.03395
   D320       3.09991   0.00013   0.00127   0.00490   0.00618   3.10609
   D321      -0.02944   0.00007   0.00026   0.00261   0.00287  -0.02658
   D322      -0.02041   0.00019   0.00215   0.00636   0.00851  -0.01190
   D323       3.13342   0.00013   0.00114   0.00408   0.00520   3.13862
   D324      -3.10208  -0.00015   0.00117  -0.00412  -0.00286  -3.10494
   D325       0.01582   0.00005   0.00753   0.00580   0.01328   0.02911
   D326      -0.05227   0.00038   0.00685   0.01407   0.02104  -0.03123
   D327       3.06563   0.00058   0.01321   0.02399   0.03718   3.10281
   D328       0.01911  -0.00012  -0.00226  -0.00515  -0.00738   0.01173
   D329      -3.13456  -0.00004   0.00229   0.00033   0.00263  -3.13193
   D330      -3.11035  -0.00020  -0.00293  -0.00758  -0.01048  -3.12083
   D331       0.01917  -0.00011   0.00162  -0.00211  -0.00048   0.01869
   D332      -0.02337   0.00022   0.00222   0.00750   0.00974  -0.01363
   D333       3.11484   0.00015   0.00536   0.00783   0.01318   3.12802
   D334       3.13025   0.00014  -0.00231   0.00206  -0.00022   3.13002
   D335      -0.01473   0.00006   0.00082   0.00239   0.00322  -0.01151
   D336      -0.01281  -0.00000   0.00228   0.00214   0.00435  -0.00846
   D337       3.10603   0.00022   0.00821   0.01197   0.02021   3.12624
   D338       3.13214   0.00007  -0.00083   0.00182   0.00094   3.13308
   D339      -0.03220   0.00030   0.00511   0.01165   0.01680  -0.01540
   D340      -0.01250   0.00000   0.00228   0.00221   0.00442  -0.00808
   D341       3.13344   0.00008  -0.00097   0.00196   0.00093   3.13438
   D342       3.10457   0.00020   0.00818   0.01162   0.01982   3.12439
   D343      -0.03268   0.00029   0.00494   0.01136   0.01633  -0.01634
   D344      -0.02386   0.00021   0.00202   0.00722   0.00926  -0.01460
   D345       3.13095   0.00014  -0.00263   0.00192  -0.00068   3.13027
   D346       3.11335   0.00013   0.00530   0.00749   0.01278   3.12613
   D347      -0.01502   0.00006   0.00066   0.00218   0.00283  -0.01219
   D348       0.01952  -0.00013  -0.00203  -0.00510  -0.00710   0.01242
   D349      -3.10968  -0.00018  -0.00310  -0.00727  -0.01036  -3.12004
   D350      -3.13534  -0.00005   0.00263   0.00023   0.00288  -3.13246
   D351       0.01864  -0.00010   0.00156  -0.00194  -0.00037   0.01827
   D352       0.01838  -0.00012  -0.00249  -0.00514  -0.00760   0.01078
   D353      -3.13429  -0.00005   0.00231   0.00010   0.00243  -3.13185
   D354      -3.11161  -0.00018  -0.00343  -0.00751  -0.01092  -3.12254
   D355       0.01890  -0.00011   0.00137  -0.00227  -0.00089   0.01801
   D356      -0.02280   0.00021   0.00242   0.00738   0.00982  -0.01298
   D357       3.11592   0.00013   0.00566   0.00770   0.01335   3.12926
   D358       3.12983   0.00014  -0.00237   0.00217  -0.00017   3.12966
   D359      -0.01464   0.00006   0.00086   0.00249   0.00335  -0.01129
   D360      -0.01234   0.00000   0.00233   0.00224   0.00450  -0.00784
   D361       3.10767   0.00022   0.00851   0.01220   0.02073   3.12840
   D362       3.13211   0.00008  -0.00087   0.00193   0.00100   3.13311
   D363      -0.03107   0.00030   0.00531   0.01189   0.01724  -0.01384
   D364      -0.01223   0.00000   0.00220   0.00212   0.00425  -0.00798
   D365       3.13415   0.00007  -0.00067   0.00173   0.00102   3.13517
   D366       3.10454   0.00024   0.00783   0.01218   0.02003   3.12457
   D367      -0.03226   0.00031   0.00496   0.01180   0.01680  -0.01546
   D368      -0.02378   0.00023   0.00211   0.00764   0.00977  -0.01401
   D369       3.13118   0.00013  -0.00220   0.00191  -0.00026   3.13091
   D370       3.11299   0.00016   0.00501   0.00803   0.01303   3.12602
   D371      -0.01524   0.00006   0.00069   0.00231   0.00300  -0.01224
   D372       0.01907  -0.00013  -0.00215  -0.00516  -0.00728   0.01179
   D373      -3.10956  -0.00021  -0.00273  -0.00788  -0.01059  -3.12015
   D374      -3.13594  -0.00002   0.00217   0.00060   0.00279  -3.13315
   D375       0.01862  -0.00011   0.00159  -0.00212  -0.00052   0.01810
   D376      -0.01878   0.00012   0.00245   0.00520   0.00762  -0.01116
   D377       3.13496   0.00005  -0.00249  -0.00014  -0.00266   3.13230
   D378       3.11048   0.00019   0.00346   0.00755   0.01099   3.12147
   D379      -0.01896   0.00011  -0.00148   0.00220   0.00072  -0.01825
   D380       0.02338  -0.00022  -0.00230  -0.00739  -0.00971   0.01367
   D381      -3.11453  -0.00013  -0.00568  -0.00771  -0.01338  -3.12791
   D382      -3.13032  -0.00014   0.00264  -0.00207   0.00053  -3.12979
   D383       0.01495  -0.00006  -0.00075  -0.00240  -0.00314   0.01181
   D384       0.01208   0.00000  -0.00249  -0.00225  -0.00467   0.00741
   D385      -3.10588  -0.00022  -0.00857  -0.01213  -0.02072  -3.12660
   D386      -3.13316  -0.00008   0.00086  -0.00194  -0.00103  -3.13419
   D387       0.03206  -0.00030  -0.00522  -0.01182  -0.01708   0.01498
   D388       0.01263  -0.00001  -0.00226  -0.00228  -0.00447   0.00816
   D389      -3.13178  -0.00009   0.00098  -0.00212  -0.00109  -3.13287
   D390      -3.10691  -0.00023  -0.00817  -0.01206  -0.02025  -3.12716
   D391       0.03187  -0.00031  -0.00493  -0.01190  -0.01687   0.01500
   D392       0.02336  -0.00023  -0.00208  -0.00764  -0.00974   0.01362
   D393      -3.13002  -0.00014   0.00251  -0.00208   0.00039  -3.12962
   D394      -3.11540  -0.00015  -0.00536  -0.00780  -0.01315  -3.12855
   D395       0.01441  -0.00006  -0.00077  -0.00225  -0.00302   0.01140
   D396      -0.01908   0.00013   0.00213   0.00534   0.00744  -0.01163
   D397       3.11081   0.00020   0.00284   0.00767   0.01049   3.12130
   D398       3.13434   0.00004  -0.00247  -0.00024  -0.00273   3.13162
   D399      -0.01896   0.00011  -0.00176   0.00209   0.00032  -0.01864
   D400       1.30206   0.00043   0.03114   0.02548   0.05683   1.35888
   D401      -0.99749   0.00272   0.04204   0.05566   0.09830  -0.89919
   D402       3.03207   0.00490   0.03322   0.05605   0.08910   3.12117
   D403      -2.87374   0.00076  -0.03689  -0.01693  -0.05259  -2.92633
   D404      -0.70134  -0.00167  -0.03424  -0.05049  -0.08441  -0.78575
   D405       1.56981  -0.00129  -0.01661  -0.03201  -0.05017   1.51964
   D406       2.94123   0.00136  -0.02614  -0.02128  -0.04783   2.89340
   D407      -1.23108   0.00235  -0.02093  -0.01945  -0.04095  -1.27203
   D408       0.81821   0.00195  -0.02928  -0.02681  -0.05676   0.76144
   D409       3.12008  -0.00037  -0.00555  -0.01297  -0.01853   3.10155
   D410      -1.05000  -0.00066  -0.00531  -0.01661  -0.02192  -1.07192
   D411       0.99499   0.00017  -0.00642  -0.00992  -0.01634   0.97865
   D412      -3.14142   0.00021  -0.00021  -0.00740  -0.00743   3.13434
   D413      -1.05780   0.00023  -0.00092  -0.00774  -0.00848  -1.06628
   D414       1.06122   0.00014   0.00063  -0.00810  -0.00729   1.05393
   D415       1.07748  -0.00013   0.00207   0.00315   0.00530   1.08277
   D416      -3.12209  -0.00011   0.00136   0.00280   0.00424  -3.11784
   D417      -1.00306  -0.00020   0.00291   0.00244   0.00543  -0.99763
   D418      -1.06605  -0.00010  -0.00224   0.00106  -0.00144  -1.06749
   D419       1.01758  -0.00008  -0.00295   0.00071  -0.00250   1.01508
   D420       3.13660  -0.00017  -0.00140   0.00035  -0.00131   3.13529
   D421       1.49415  -0.00025  -0.00040   0.01942   0.01820   1.51236
   D422      -2.74486   0.00091  -0.00059   0.01801   0.01705  -2.72780
   D423      -0.55798   0.00041   0.00784   0.02178   0.02942  -0.52856
   D424      -1.53875   0.00085  -0.00114  -0.00821  -0.00868  -1.54743
   D425       2.69216   0.00045  -0.00039  -0.01526  -0.01551   2.67665
   D426       0.50982   0.00014  -0.01018  -0.02205  -0.03185   0.47797
   D427       1.05660  -0.00008   0.00121  -0.00012   0.00109   1.05769
   D428      -3.13853  -0.00005   0.00069  -0.00027   0.00042  -3.13811
   D429      -1.04866  -0.00011   0.00053  -0.00139  -0.00086  -1.04952
   D430      -1.02614   0.00020   0.00339   0.00607   0.00947  -1.01667
   D431       1.06191   0.00023   0.00287   0.00592   0.00880   1.07071
   D432      -3.13140   0.00017   0.00271   0.00480   0.00752  -3.12388
   D433       3.13655  -0.00008  -0.00230  -0.00206  -0.00437   3.13218
   D434      -1.05858  -0.00006  -0.00282  -0.00220  -0.00504  -1.06362
   D435       1.03129  -0.00011  -0.00298  -0.00333  -0.00632   1.02497
   D436      -1.62607   0.00016  -0.00329   0.02451   0.02104  -1.60502
   D437      -1.51542  -0.00133   0.00702   0.00042   0.00736  -1.50806
   D438       0.32365  -0.00041  -0.00361  -0.01131  -0.01497   0.30868
   D439       0.91787  -0.00015   0.00219   0.04365   0.04398   0.96185
   D440       0.77049  -0.00074   0.01154   0.02243   0.03460   0.80509
   D441      -0.31192  -0.00025   0.00435   0.01131   0.01581  -0.29611
         Item               Value     Threshold  Converged?
 Maximum Force            0.007453     0.000450     NO 
 RMS     Force            0.001123     0.000300     NO 
 Maximum Displacement     1.647601     0.001800     NO 
 RMS     Displacement     0.296068     0.001200     NO 
 Predicted change in Energy=-7.340292D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.638410    2.866700    0.372551
      2          6           0       -1.928814    1.499798    0.336799
      3          6           0       -0.928453    0.512183    0.318089
      4          6           0        0.418172    0.924401    0.334882
      5          6           0        0.723882    2.294439    0.343420
      6          6           0       -0.278114    3.242756    0.367758
      7          6           0       -1.237732   -0.923547    0.167565
      8          6           0       -0.182032   -1.876930    0.146357
      9          6           0        1.154325   -1.461686    0.485423
     10          6           0        1.507326   -0.058104    0.346514
     11          6           0       -2.539847   -1.388896   -0.059563
     12          6           0       -2.832899   -2.716218   -0.401921
     13          6           0       -1.741103   -3.594262   -0.576047
     14          6           0       -0.456128   -3.187822   -0.293283
     15          7           0        2.162114   -2.384607    0.638941
     16          6           0        3.496950   -1.960149    0.449537
     17          6           0        3.740690   -0.581736    0.226405
     18          7           0        2.742149    0.349249    0.215746
     19          6           0        4.582626   -2.852390    0.376556
     20          6           0        5.859688   -2.379861    0.141184
     21          6           0        6.143553   -1.002246   -0.038861
     22          6           0        5.059658   -0.133783    0.001413
     23          6           0       -2.725542    3.893285    0.405947
     24          6           0       -4.237488   -3.168934   -0.615083
     25          6           0        7.535826   -0.516706   -0.273425
     26          6           0       -4.531079   -4.437349   -1.151393
     27          6           0       -5.837345   -4.858482   -1.366843
     28          6           0       -6.908956   -4.024472   -1.026415
     29          6           0       -6.645337   -2.766484   -0.471094
     30          6           0       -5.333983   -2.350889   -0.280217
     31          6           0       -2.457199    5.233096    0.742045
     32          6           0       -3.461915    6.192821    0.790508
     33          6           0       -4.780414    5.843934    0.479276
     34          6           0       -5.072749    4.520775    0.130168
     35          6           0       -4.061399    3.567825    0.106175
     36          6           0        8.586074   -1.400481   -0.578584
     37          6           0        9.879001   -0.946285   -0.815068
     38          6           0       10.168944    0.419793   -0.729893
     39          6           0        9.143521    1.318157   -0.411384
     40          6           0        7.851947    0.852602   -0.197749
     41          7           0       -5.806757    6.817919    0.515318
     42          7           0       -8.239936   -4.448421   -1.237443
     43          7           0       11.483890    0.887257   -0.961475
     44          6           0       -8.785337   -5.683649   -0.842996
     45          6           0      -10.145578   -5.727457   -1.230843
     46          6           0      -10.439915   -4.473637   -1.890750
     47          6           0       -9.250504   -3.706908   -1.875474
     48          6           0       -7.040231    6.692178    1.176322
     49          6           0       -7.790722    7.875521    0.974687
     50          6           0       -6.984327    8.754280    0.155769
     51          6           0       -5.769172    8.077051   -0.106815
     52          6           0       11.845466    1.940153   -1.819592
     53          6           0       13.251062    2.102065   -1.778479
     54          6           0       13.765042    1.113591   -0.855336
     55          6           0       12.654882    0.380286   -0.372185
     56          6           0      -11.583783   -3.949949   -2.504131
     57          6           0      -11.520095   -2.692618   -3.097193
     58          6           0      -10.322425   -1.959902   -3.095888
     59          6           0       -9.168935   -2.455875   -2.490955
     60          6           0       -8.188372   -6.718211   -0.119250
     61          6           0       -8.973589   -7.830219    0.179718
     62          6           0      -10.316917   -7.906017   -0.221524
     63          6           0      -10.909849   -6.857754   -0.918788
     64          6           0       -7.188977   10.027651   -0.388346
     65          6           0       -6.198318   10.591779   -1.186378
     66          6           0       -5.011328    9.891801   -1.456824
     67          6           0       -4.779509    8.624007   -0.926879
     68          6           0       -7.504087    5.650207    1.982782
     69          6           0       -8.763891    5.795753    2.560304
     70          6           0       -9.536390    6.949449    2.349451
     71          6           0       -9.054166    7.993266    1.565677
     72          6           0       15.046565    0.803589   -0.385372
     73          6           0       15.197051   -0.209265    0.556972
     74          6           0       14.079546   -0.906071    1.044173
     75          6           0       12.792525   -0.620623    0.592284
     76          6           0       11.037539    2.702017   -2.666838
     77          6           0       11.661694    3.667745   -3.454179
     78          6           0       13.051435    3.863251   -3.407327
     79          6           0       13.850717    3.081238   -2.579094
     80          8           0        0.474004   -3.955927    2.188979
     81         15           0        1.847237   -3.840790    1.680912
     82          8           0        3.058892   -3.827483    2.690090
     83          8           0        2.301492   -4.967920    0.618513
     84          6           0        3.235546   -2.970793    3.881715
     85          6           0        4.359988   -3.584460    4.687595
     86          6           0        1.971426   -6.365429    0.905133
     87          6           0        2.454393   -7.197290   -0.263567
     88          1           0       -2.963128    1.188926    0.350561
     89          1           0        1.769785    2.577235    0.350025
     90          1           0       -0.002702    4.290714    0.371879
     91          1           0       -3.347833   -0.674289   -0.017652
     92          1           0       -1.898438   -4.609120   -0.919125
     93          1           0        0.373036   -3.868211   -0.458997
     94          1           0        4.413792   -3.915211    0.474946
     95          1           0        6.661221   -3.107502    0.091147
     96          1           0        5.159344    0.931634   -0.165953
     97          1           0       -3.729528   -5.108884   -1.435692
     98          1           0       -6.040039   -5.825046   -1.818390
     99          1           0       -7.476006   -2.133909   -0.172593
    100          1           0       -5.170647   -1.379829    0.172235
    101          1           0       -1.451964    5.534786    1.013030
    102          1           0       -3.239383    7.212281    1.091936
    103          1           0       -6.090779    4.255765   -0.140097
    104          1           0       -4.322718    2.557374   -0.186985
    105          1           0        8.397071   -2.464105   -0.670978
    106          1           0       10.668277   -1.640261   -1.088822
    107          1           0        9.374808    2.374717   -0.313224
    108          1           0        7.084586    1.572124    0.064063
    109          1           0      -12.506000   -4.524166   -2.522615
    110          1           0      -12.403462   -2.272215   -3.568156
    111          1           0      -10.289795   -0.985547   -3.575247
    112          1           0       -8.239459   -1.896060   -2.502012
    113          1           0       -7.154723   -6.652393    0.204305
    114          1           0       -8.533079   -8.653012    0.735798
    115          1           0      -10.897514   -8.791530    0.018694
    116          1           0      -11.955001   -6.909095   -1.211330
    117          1           0       -8.114473   10.562917   -0.194220
    118          1           0       -6.342209   11.582700   -1.606388
    119          1           0       -4.254952   10.344922   -2.091665
    120          1           0       -3.868118    8.076622   -1.144605
    121          1           0       -6.899625    4.766061    2.157524
    122          1           0       -9.152403    4.998173    3.187408
    123          1           0      -10.518338    7.026154    2.806525
    124          1           0       -9.644611    8.893691    1.419592
    125          1           0       15.910080    1.354644   -0.747762
    126          1           0       16.187229   -0.464309    0.922301
    127          1           0       14.216744   -1.684879    1.789171
    128          1           0       11.926758   -1.148987    0.978118
    129          1           0        9.965308    2.541412   -2.712293
    130          1           0       11.056409    4.280450   -4.116422
    131          1           0       13.504334    4.632154   -4.025904
    132          1           0       14.928085    3.220762   -2.557652
    133          1           0        3.463166   -1.964815    3.526596
    134          1           0        2.290737   -2.930490    4.425353
    135          1           0        4.531140   -2.974724    5.580923
    136          1           0        4.108099   -4.599609    5.006658
    137          1           0        5.287387   -3.613554    4.108826
    138          1           0        2.466653   -6.654231    1.838491
    139          1           0        0.889440   -6.435849    1.049147
    140          1           0        3.536270   -7.101238   -0.390516
    141          1           0        2.220006   -8.251229   -0.084057
    142          1           0        1.966050   -6.887476   -1.191717
    143         17           0        0.999706   -0.571491    3.043993
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0190227           0.0072882           0.0056024
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13522.1026372275 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  1.96D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    0.999957    0.008148    0.001828   -0.004043 Ang=   1.06 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.66675864     A.U. after   15 cycles
            NFock= 15  Conv=0.31D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.004113608    0.002145876   -0.000006142
      2        6           0.002001842   -0.001021188    0.001889772
      3        6          -0.002784901   -0.002987263   -0.001906768
      4        6           0.002355918    0.002796249   -0.000893115
      5        6           0.002249433   -0.003079761    0.000256940
      6        6          -0.001402887    0.001206749   -0.000733066
      7        6          -0.000800501    0.000643708   -0.000856312
      8        6          -0.003203387    0.001095577    0.000619714
      9        6           0.001053126   -0.002287439    0.003121559
     10        6          -0.000203489    0.002001947   -0.000716034
     11        6           0.000917944    0.001866998   -0.001480857
     12        6          -0.002460164   -0.001715248   -0.000139120
     13        6          -0.000679271   -0.001305330    0.000247813
     14        6           0.000679786    0.001793485   -0.001967027
     15        7           0.001468258   -0.002294852    0.002588571
     16        6           0.001232526   -0.000836390   -0.001123475
     17        6           0.003426713   -0.000202421    0.000587895
     18        7          -0.002733132    0.002277153   -0.002631296
     19        6          -0.003350531   -0.000329683    0.000280082
     20        6           0.001700153    0.001038776    0.000143950
     21        6           0.003565310    0.000592320   -0.000092438
     22        6          -0.002878892   -0.000498745   -0.000969024
     23        6           0.003623913   -0.001814179   -0.000104476
     24        6           0.002381017    0.001946052    0.000485670
     25        6          -0.003216548   -0.001774899    0.000441135
     26        6           0.000719328    0.000285363   -0.000827963
     27        6          -0.000063488    0.000368081   -0.000152005
     28        6          -0.001827864   -0.001478739   -0.000515791
     29        6           0.000207884   -0.000157038    0.000181974
     30        6           0.000001875    0.000435646    0.000721374
     31        6           0.000571605    0.000112143    0.001330373
     32        6           0.000162017   -0.000316144    0.000307568
     33        6          -0.002443002    0.001208123    0.000020200
     34        6           0.000285074    0.000099099   -0.000184451
     35        6           0.000209037   -0.000552169   -0.001068099
     36        6           0.000250834   -0.000653264   -0.001042026
     37        6          -0.000407469   -0.000073168   -0.000319237
     38        6           0.002114091    0.001544080   -0.000247794
     39        6          -0.000020524   -0.000283115    0.000275850
     40        6          -0.000455786    0.000138560    0.000751297
     41        7          -0.003096467    0.001533507    0.000105879
     42        7          -0.003124615   -0.002246921   -0.000565171
     43        7           0.002739842    0.002190990   -0.000252222
     44        6           0.001195488    0.005619795    0.001136647
     45        6          -0.000304057   -0.001990183    0.000663993
     46        6          -0.001603305    0.000584176   -0.001133671
     47        6           0.005686910   -0.000684490    0.000442284
     48        6           0.005377845    0.001699686    0.000075828
     49        6          -0.001601807   -0.000760916    0.001121955
     50        6          -0.000473543    0.001772535   -0.001092744
     51        6           0.002075167   -0.005269468   -0.000294071
     52        6          -0.000881767   -0.005546717    0.000757534
     53        6           0.000078037    0.001590777   -0.001381231
     54        6           0.001772114   -0.000154411    0.001123223
     55        6          -0.005651919    0.000387910    0.000035415
     56        6          -0.000109131   -0.000798465    0.000142862
     57        6          -0.001033040   -0.000238166   -0.000010419
     58        6           0.000841808    0.001298158    0.000477649
     59        6          -0.000950312    0.000010140    0.000129321
     60        6          -0.000261664   -0.000854767   -0.000395548
     61        6           0.001606698    0.000416049    0.000155080
     62        6          -0.000516832   -0.000867903   -0.000362511
     63        6          -0.000698485    0.000249925   -0.000409525
     64        6          -0.000718952   -0.000313132    0.000355513
     65        6          -0.000672707    0.000798656    0.000189093
     66        6           0.001616587   -0.000063503    0.000059280
     67        6          -0.000384093    0.000771352    0.000285021
     68        6          -0.000827983   -0.000167453   -0.000260765
     69        6           0.001055128   -0.001159639   -0.000113060
     70        6          -0.001019939    0.000010812   -0.000108042
     71        6          -0.000243442    0.000725474   -0.000296007
     72        6           0.000050775    0.000705727   -0.000461181
     73        6           0.001014638    0.000222813   -0.000213232
     74        6          -0.000784068   -0.001429492    0.000141409
     75        6           0.000871415    0.000011046   -0.000231247
     76        6           0.000219194    0.000903326    0.000119578
     77        6          -0.001578045   -0.000410409    0.000204472
     78        6           0.000470324    0.000941384   -0.000017197
     79        6           0.000766364   -0.000087486    0.000373299
     80        8          -0.000716578   -0.001301877    0.004025229
     81       15           0.000017106    0.006034130   -0.005864845
     82        8           0.005876989    0.000417419    0.003726454
     83        8           0.001208320   -0.000631998    0.001829345
     84        6          -0.001278623   -0.002270142   -0.002203497
     85        6          -0.000680711    0.000825451    0.000508068
     86        6          -0.000693557    0.002869822    0.001305733
     87        6           0.000008714   -0.000424680   -0.000035122
     88        1          -0.000657421   -0.000400430    0.000943847
     89        1          -0.000750380    0.000791814   -0.000102900
     90        1           0.000329106    0.000146037   -0.000535033
     91        1          -0.000522447    0.000147590   -0.000804557
     92        1           0.000280017   -0.000135529    0.000699738
     93        1          -0.003373862   -0.000524124   -0.000928718
     94        1           0.000506566   -0.000072726    0.000589077
     95        1          -0.000131115   -0.000110702    0.000837260
     96        1           0.000515044    0.000037244   -0.000216463
     97        1          -0.000274348    0.000105333   -0.000486125
     98        1           0.000809050    0.001157382    0.000522996
     99        1           0.001462658    0.000438887    0.000086558
    100        1          -0.000148121   -0.000351020    0.000396400
    101        1          -0.000114004   -0.000187927    0.000392510
    102        1           0.001026594   -0.001079719   -0.000257282
    103        1           0.001468155   -0.000118620    0.000148391
    104        1           0.000124891    0.000140586   -0.000580797
    105        1          -0.000050462    0.000203500   -0.000421569
    106        1          -0.001414896   -0.000418413    0.000289800
    107        1          -0.000767414   -0.001277571    0.000032336
    108        1           0.000182834    0.000088317    0.000425901
    109        1          -0.000086630    0.000362046   -0.000058849
    110        1           0.000227906   -0.000203263   -0.000211214
    111        1          -0.000030030   -0.000339044   -0.000032136
    112        1          -0.001159894   -0.000222643   -0.000569962
    113        1          -0.000715344   -0.001125206    0.000085751
    114        1          -0.000337154    0.000084113   -0.000058391
    115        1          -0.000190130    0.000234426    0.000227977
    116        1           0.000280661   -0.000219438    0.000128137
    117        1           0.000258548    0.000253350   -0.000145420
    118        1          -0.000116175   -0.000295901   -0.000198114
    119        1          -0.000322018   -0.000149456    0.000040359
    120        1          -0.000918049    0.000966301   -0.000393122
    121        1          -0.001263401    0.000052895    0.000368135
    122        1          -0.000089159    0.000318122   -0.000047017
    123        1           0.000158163    0.000270968    0.000180557
    124        1          -0.000020695   -0.000359835    0.000107882
    125        1           0.000104913   -0.000312550    0.000190137
    126        1          -0.000221666    0.000267786    0.000162643
    127        1           0.000017133    0.000342914   -0.000094440
    128        1           0.001245016    0.000437840    0.000334520
    129        1           0.000624790    0.001015090   -0.000553944
    130        1           0.000353264   -0.000063402    0.000041451
    131        1           0.000179907   -0.000303787   -0.000154286
    132        1          -0.000312009    0.000163675   -0.000150856
    133        1          -0.000366149   -0.000377677    0.000411725
    134        1          -0.000088869   -0.000355443   -0.000980694
    135        1           0.000088681   -0.000183512   -0.000226040
    136        1           0.000237275   -0.000031392    0.000017896
    137        1           0.000130473   -0.000307918    0.000063489
    138        1           0.000190581   -0.000194692   -0.000484886
    139        1           0.000391315   -0.000430892   -0.000260769
    140        1          -0.000124015   -0.000107279   -0.000083199
    141        1           0.000041198    0.000024425   -0.000170832
    142        1           0.000098574   -0.000032847    0.000072103
    143       17           0.000456488   -0.002611483    0.001345959
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.006034130 RMS     0.001380693

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.007460865 RMS     0.001015808
 Search for a local minimum.
 Step number   8 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    7    8
 DE= -5.69D-03 DEPred=-7.34D-03 R= 7.75D-01
 TightC=F SS=  1.41D+00  RLast= 7.19D-01 DXNew= 4.0363D+00 2.1580D+00
 Trust test= 7.75D-01 RLast= 7.19D-01 DXMaxT set to 2.40D+00
 ITU=  1  1  1  1  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00417   0.00421   0.00900   0.01163   0.01552
     Eigenvalues ---    0.01614   0.02238   0.02583   0.02598   0.02603
     Eigenvalues ---    0.02633   0.02656   0.02675   0.02700   0.02704
     Eigenvalues ---    0.02707   0.02711   0.02713   0.02718   0.02723
     Eigenvalues ---    0.02725   0.02728   0.02728   0.02735   0.02754
     Eigenvalues ---    0.02765   0.02769   0.02770   0.02773   0.02774
     Eigenvalues ---    0.02774   0.02775   0.02780   0.02785   0.02786
     Eigenvalues ---    0.02789   0.02790   0.02791   0.02791   0.02791
     Eigenvalues ---    0.02792   0.02793   0.02793   0.02794   0.02800
     Eigenvalues ---    0.02800   0.02801   0.02801   0.02803   0.02804
     Eigenvalues ---    0.02805   0.02807   0.02808   0.02808   0.02809
     Eigenvalues ---    0.02810   0.02811   0.02811   0.02814   0.02818
     Eigenvalues ---    0.02818   0.02818   0.02819   0.02819   0.02819
     Eigenvalues ---    0.02819   0.02821   0.02828   0.02831   0.02840
     Eigenvalues ---    0.02844   0.02845   0.02845   0.02846   0.02847
     Eigenvalues ---    0.02852   0.02852   0.02857   0.02864   0.02869
     Eigenvalues ---    0.02869   0.02869   0.02872   0.02873   0.02873
     Eigenvalues ---    0.02876   0.02877   0.02877   0.02878   0.02878
     Eigenvalues ---    0.02879   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02886   0.02886   0.02887   0.02887
     Eigenvalues ---    0.02887   0.02891   0.02892   0.02895   0.02896
     Eigenvalues ---    0.02898   0.02899   0.02902   0.02904   0.02905
     Eigenvalues ---    0.02905   0.02910   0.02911   0.02927   0.02939
     Eigenvalues ---    0.02945   0.02945   0.02965   0.03023   0.03024
     Eigenvalues ---    0.03024   0.03133   0.03133   0.03134   0.03142
     Eigenvalues ---    0.03146   0.03149   0.03213   0.03428   0.03736
     Eigenvalues ---    0.04018   0.04679   0.05089   0.05380   0.05531
     Eigenvalues ---    0.05556   0.05576   0.05621   0.05741   0.05806
     Eigenvalues ---    0.07054   0.08582   0.09147   0.10569   0.11312
     Eigenvalues ---    0.11443   0.13027   0.13163   0.13649   0.15194
     Eigenvalues ---    0.15581   0.15969   0.15979   0.15986   0.15989
     Eigenvalues ---    0.15990   0.15990   0.15991   0.15993   0.15994
     Eigenvalues ---    0.15995   0.15996   0.15996   0.15997   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16029   0.16066
     Eigenvalues ---    0.16298   0.17486   0.18386   0.19142   0.20884
     Eigenvalues ---    0.21088   0.21958   0.21999   0.21999   0.21999
     Eigenvalues ---    0.21999   0.21999   0.22001   0.22001   0.22001
     Eigenvalues ---    0.22028   0.22376   0.22426   0.22486   0.22597
     Eigenvalues ---    0.22597   0.22598   0.22599   0.22599   0.22640
     Eigenvalues ---    0.22798   0.22960   0.22962   0.23299   0.23424
     Eigenvalues ---    0.23527   0.23668   0.23999   0.24000   0.24257
     Eigenvalues ---    0.24324   0.24457   0.24460   0.24460   0.24495
     Eigenvalues ---    0.24497   0.24590   0.24639   0.24860   0.24950
     Eigenvalues ---    0.24951   0.24952   0.24953   0.24955   0.24973
     Eigenvalues ---    0.24986   0.24996   0.24998   0.24999   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25007   0.25428   0.25643   0.26919
     Eigenvalues ---    0.27885   0.28974   0.29757   0.29786   0.30656
     Eigenvalues ---    0.32015   0.32098   0.32127   0.32140   0.32146
     Eigenvalues ---    0.32150   0.32177   0.32216   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33289   0.33317
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33455   0.33544   0.33561   0.33564   0.33577
     Eigenvalues ---    0.33583   0.33586   0.33595   0.33629   0.33635
     Eigenvalues ---    0.33637   0.33642   0.33642   0.33662   0.33684
     Eigenvalues ---    0.33714   0.33721   0.33819   0.33829   0.33839
     Eigenvalues ---    0.33853   0.33874   0.33896   0.33898   0.33929
     Eigenvalues ---    0.33941   0.33947   0.33955   0.33959   0.34474
     Eigenvalues ---    0.34771   0.34913   0.34944   0.38990   0.41539
     Eigenvalues ---    0.42817   0.43885   0.44420   0.44423   0.44428
     Eigenvalues ---    0.44475   0.45803   0.47837   0.48828   0.48947
     Eigenvalues ---    0.48956   0.49228   0.49331   0.49666   0.49751
     Eigenvalues ---    0.49767   0.49815   0.49972   0.50002   0.50081
     Eigenvalues ---    0.50153   0.50390   0.50395   0.50563   0.50613
     Eigenvalues ---    0.50616   0.50620   0.51135   0.51469   0.52283
     Eigenvalues ---    0.52389   0.52604   0.52954   0.53338   0.54077
     Eigenvalues ---    0.54084   0.54104   0.54192   0.54194   0.54198
     Eigenvalues ---    0.54399   0.54530   0.54946   0.55137   0.55315
     Eigenvalues ---    0.55345   0.55357   0.55374   0.55387   0.55411
     Eigenvalues ---    0.55475   0.55486   0.55520   0.55631   0.55705
     Eigenvalues ---    0.55705   0.55765   0.55816   0.55939   0.55947
     Eigenvalues ---    0.56090   0.56147   0.56152   0.56153   0.56259
     Eigenvalues ---    0.56276   0.56308   0.56365   0.56662   0.56664
     Eigenvalues ---    0.56670   0.56672   0.56681   0.56724   0.56845
     Eigenvalues ---    0.56905   0.56918   0.56999   0.57131   0.57173
     Eigenvalues ---    0.57178   0.57190   0.57195   0.57209   0.57586
     Eigenvalues ---    0.61331   0.62150   0.66060   0.66067   0.67637
     Eigenvalues ---    0.67649   0.67653   0.69417   0.70039   0.70092
     Eigenvalues ---    0.73274   0.76935   0.79833
 RFO step:  Lambda=-5.46202171D-03 EMin= 4.17367099D-03
 Quartic linear search produced a step of -0.01563.
 Iteration  1 RMS(Cart)=  0.15780754 RMS(Int)=  0.00096518
 Iteration  2 RMS(Cart)=  0.00576129 RMS(Int)=  0.00006694
 Iteration  3 RMS(Cart)=  0.00000453 RMS(Int)=  0.00006693
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00006693
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64159   0.00039   0.00001   0.00070   0.00072   2.64231
    R2        2.66702   0.00015  -0.00001   0.00113   0.00115   2.66818
    R3        2.82629  -0.00413  -0.00007  -0.00846  -0.00852   2.81777
    R4        2.65670  -0.00133  -0.00001  -0.00277  -0.00280   2.65390
    R5        2.04111   0.00073  -0.00005   0.00375   0.00369   2.04480
    R6        2.66150   0.00123  -0.00006   0.00290   0.00277   2.66427
    R7        2.78991  -0.00316  -0.00008  -0.00675  -0.00691   2.78300
    R8        2.65272  -0.00115  -0.00000  -0.00213  -0.00215   2.65057
    R9        2.77198  -0.00115  -0.00009  -0.00125  -0.00131   2.77067
   R10        2.60747   0.00157  -0.00001   0.00338   0.00339   2.61087
   R11        2.04748  -0.00020  -0.00004   0.00023   0.00019   2.04767
   R12        2.04762   0.00009  -0.00004   0.00136   0.00131   2.04893
   R13        2.68839   0.00178   0.00014   0.00071   0.00082   2.68921
   R14        2.64807  -0.00087  -0.00003  -0.00146  -0.00149   2.64658
   R15        2.72097   0.00746   0.00010   0.01056   0.01073   2.73170
   R16        2.66368   0.00130   0.00004   0.00158   0.00163   2.66531
   R17        2.74755   0.00403  -0.00000   0.01026   0.01036   2.75792
   R18        2.59863   0.00600   0.00025   0.00447   0.00472   2.60334
   R19        5.12762   0.00189   0.00288  -0.01984  -0.01678   5.11084
   R20        2.46957   0.00021   0.00003  -0.00011  -0.00009   2.46947
   R21        2.64890  -0.00088  -0.00005  -0.00010  -0.00016   2.64875
   R22        2.03991   0.00051  -0.00005   0.00294   0.00289   2.04280
   R23        2.66800  -0.00062  -0.00004   0.00024   0.00020   2.66819
   R24        2.81770  -0.00266  -0.00011  -0.00484  -0.00495   2.81274
   R25        2.60228   0.00106  -0.00004   0.00293   0.00290   2.60518
   R26        2.04614  -0.00009  -0.00004   0.00073   0.00069   2.04683
   R27        2.05094  -0.00280  -0.00014  -0.00390  -0.00404   2.04690
   R28        2.67102  -0.00060  -0.00010   0.00299   0.00290   2.67392
   R29        3.43562  -0.00169   0.00001  -0.00990  -0.00986   3.42576
   R30        6.10088  -0.00173  -0.00142   0.02352   0.02181   6.12269
   R31        2.67863   0.00026   0.00001  -0.00043  -0.00047   2.67815
   R32        2.65916  -0.00149   0.00000  -0.00144  -0.00144   2.65772
   R33        2.57997   0.00240  -0.00018   0.00371   0.00346   2.58343
   R34        2.66643  -0.00133  -0.00003  -0.00221  -0.00224   2.66419
   R35        2.61136   0.00103  -0.00001   0.00222   0.00222   2.61358
   R36        2.04211   0.00017  -0.00004  -0.00009  -0.00013   2.04197
   R37        2.67969  -0.00064   0.00002  -0.00150  -0.00148   2.67822
   R38        2.04791  -0.00011  -0.00004   0.00061   0.00057   2.04848
   R39        2.62575   0.00123  -0.00004   0.00275   0.00270   2.62846
   R40        2.82145  -0.00314  -0.00008  -0.00620  -0.00628   2.81517
   R41        2.04672  -0.00005  -0.00004   0.00091   0.00087   2.04760
   R42        2.65912  -0.00024  -0.00002   0.00012   0.00009   2.65922
   R43        2.65928  -0.00029  -0.00003   0.00027   0.00024   2.65952
   R44        2.66089  -0.00023  -0.00002   0.00005   0.00003   2.66092
   R45        2.66152  -0.00008  -0.00003   0.00060   0.00057   2.66208
   R46        2.65720   0.00007  -0.00002   0.00079   0.00076   2.65796
   R47        2.65953  -0.00020  -0.00004   0.00060   0.00056   2.66009
   R48        2.62536   0.00043  -0.00003   0.00116   0.00114   2.62650
   R49        2.04778  -0.00016  -0.00004   0.00042   0.00038   2.04816
   R50        2.64549   0.00106   0.00003   0.00190   0.00193   2.64743
   R51        2.05209  -0.00117  -0.00008  -0.00192  -0.00200   2.05009
   R52        2.64589   0.00118   0.00003   0.00209   0.00213   2.64802
   R53        2.66965   0.00160  -0.00005   0.00222   0.00217   2.67182
   R54        2.62448   0.00047  -0.00002   0.00114   0.00113   2.62560
   R55        2.05213  -0.00118  -0.00008  -0.00191  -0.00199   2.05013
   R56        2.04785  -0.00010  -0.00003   0.00056   0.00053   2.04838
   R57        2.62725   0.00041  -0.00002   0.00103   0.00101   2.62826
   R58        2.04837  -0.00007  -0.00004   0.00074   0.00071   2.04907
   R59        2.64361   0.00131   0.00003   0.00251   0.00254   2.64615
   R60        2.05249  -0.00121  -0.00008  -0.00203  -0.00211   2.05037
   R61        2.64432   0.00132   0.00003   0.00244   0.00247   2.64679
   R62        2.67470   0.00138  -0.00004   0.00181   0.00177   2.67647
   R63        2.62632   0.00042  -0.00002   0.00097   0.00095   2.62728
   R64        2.05247  -0.00117  -0.00009  -0.00180  -0.00189   2.05058
   R65        2.04863   0.00006  -0.00004   0.00114   0.00110   2.04972
   R66        2.62793   0.00029  -0.00002   0.00079   0.00077   2.62870
   R67        2.04890  -0.00015  -0.00004   0.00041   0.00038   2.04928
   R68        2.64392   0.00118   0.00003   0.00214   0.00217   2.64609
   R69        2.05233  -0.00119  -0.00008  -0.00196  -0.00205   2.05029
   R70        2.64562   0.00119   0.00003   0.00212   0.00216   2.64777
   R71        2.67330   0.00138  -0.00005   0.00186   0.00181   2.67511
   R72        2.62566   0.00038  -0.00002   0.00095   0.00093   2.62659
   R73        2.05229  -0.00117  -0.00008  -0.00183  -0.00192   2.05037
   R74        2.04850  -0.00002  -0.00003   0.00064   0.00061   2.04911
   R75        2.65518  -0.00121   0.00014  -0.00522  -0.00508   2.65010
   R76        2.65496  -0.00109   0.00014  -0.00494  -0.00480   2.65017
   R77        2.65830  -0.00132   0.00013  -0.00527  -0.00514   2.65316
   R78        2.65785  -0.00125   0.00013  -0.00517  -0.00504   2.65282
   R79        2.65619  -0.00119   0.00014  -0.00520  -0.00506   2.65112
   R80        2.65606  -0.00114   0.00014  -0.00501  -0.00487   2.65119
   R81        2.67421   0.00151  -0.00003   0.00380   0.00377   2.67799
   R82        2.63919   0.00108   0.00000   0.00228   0.00229   2.64148
   R83        2.73467   0.00009  -0.00001   0.00097   0.00095   2.73562
   R84        2.64498   0.00016  -0.00005   0.00141   0.00135   2.64633
   R85        2.67435   0.00147  -0.00003   0.00363   0.00361   2.67796
   R86        2.64489   0.00018  -0.00005   0.00145   0.00140   2.64629
   R87        2.63923   0.00106   0.00000   0.00216   0.00216   2.64140
   R88        2.67528   0.00141  -0.00003   0.00347   0.00345   2.67872
   R89        2.63970   0.00101   0.00000   0.00204   0.00205   2.64175
   R90        2.73398   0.00018  -0.00002   0.00115   0.00113   2.73512
   R91        2.64523   0.00019  -0.00005   0.00148   0.00142   2.64665
   R92        2.67528   0.00149  -0.00003   0.00378   0.00375   2.67903
   R93        2.64522   0.00017  -0.00005   0.00145   0.00139   2.64662
   R94        2.63960   0.00108   0.00000   0.00227   0.00228   2.64188
   R95        2.67488   0.00144  -0.00003   0.00356   0.00354   2.67842
   R96        2.63954   0.00103   0.00000   0.00208   0.00208   2.64163
   R97        2.73420   0.00015  -0.00002   0.00109   0.00107   2.73527
   R98        2.64518   0.00015  -0.00005   0.00141   0.00135   2.64653
   R99        2.67490   0.00149  -0.00003   0.00377   0.00375   2.67865
   R100       2.64512   0.00017  -0.00005   0.00143   0.00138   2.64650
   R101       2.63951   0.00106   0.00000   0.00224   0.00224   2.64175
   R102       2.62982  -0.00025  -0.00002   0.00010   0.00007   2.62989
   R103       2.05325  -0.00022  -0.00002  -0.00042  -0.00044   2.05281
   R104       2.65323   0.00052  -0.00005   0.00190   0.00185   2.65508
   R105       2.05180  -0.00013  -0.00003   0.00012   0.00009   2.05188
   R106       2.63376  -0.00016   0.00001  -0.00076  -0.00075   2.63301
   R107       2.05296  -0.00028  -0.00002  -0.00065  -0.00067   2.05229
   R108       2.05054  -0.00096  -0.00008  -0.00118  -0.00126   2.04928
   R109       2.63379  -0.00017   0.00001  -0.00076  -0.00075   2.63304
   R110       2.05055  -0.00098  -0.00008  -0.00127  -0.00135   2.04920
   R111       2.65321   0.00053  -0.00005   0.00191   0.00186   2.65507
   R112       2.05300  -0.00029  -0.00002  -0.00065  -0.00067   2.05232
   R113       2.62978  -0.00024  -0.00002   0.00011   0.00008   2.62986
   R114       2.05184  -0.00014  -0.00003   0.00011   0.00008   2.05192
   R115       2.05325  -0.00022  -0.00002  -0.00042  -0.00044   2.05282
   R116       2.62971  -0.00025  -0.00003   0.00009   0.00006   2.62977
   R117       2.05341  -0.00022  -0.00002  -0.00043  -0.00045   2.05296
   R118       2.65374   0.00050  -0.00005   0.00187   0.00182   2.65556
   R119       2.05193  -0.00013  -0.00003   0.00013   0.00010   2.05203
   R120       2.63336  -0.00012   0.00001  -0.00067  -0.00066   2.63270
   R121       2.05316  -0.00029  -0.00002  -0.00068  -0.00070   2.05246
   R122       2.05074  -0.00101  -0.00008  -0.00136  -0.00145   2.04929
   R123       2.63332  -0.00013   0.00001  -0.00072  -0.00071   2.63261
   R124       2.05070  -0.00096  -0.00008  -0.00110  -0.00119   2.04951
   R125       2.65386   0.00049  -0.00005   0.00191   0.00185   2.65571
   R126       2.05306  -0.00028  -0.00002  -0.00065  -0.00067   2.05239
   R127       2.62964  -0.00023  -0.00002   0.00016   0.00013   2.62977
   R128       2.05192  -0.00014  -0.00003   0.00013   0.00010   2.05201
   R129       2.05340  -0.00022  -0.00002  -0.00044  -0.00046   2.05295
   R130       2.62973  -0.00025  -0.00002   0.00008   0.00005   2.62978
   R131       2.05333  -0.00022  -0.00002  -0.00043  -0.00045   2.05288
   R132       2.65351   0.00051  -0.00005   0.00189   0.00184   2.65535
   R133       2.05187  -0.00014  -0.00003   0.00012   0.00009   2.05196
   R134       2.63351  -0.00013   0.00001  -0.00070  -0.00068   2.63283
   R135       2.05310  -0.00029  -0.00002  -0.00067  -0.00069   2.05241
   R136       2.05067  -0.00099  -0.00008  -0.00132  -0.00140   2.04927
   R137       2.63351  -0.00015   0.00001  -0.00075  -0.00074   2.63278
   R138       2.05063  -0.00096  -0.00008  -0.00110  -0.00118   2.04945
   R139       2.65357   0.00051  -0.00005   0.00193   0.00188   2.65544
   R140       2.05307  -0.00029  -0.00002  -0.00067  -0.00069   2.05237
   R141       2.62962  -0.00022  -0.00003   0.00019   0.00016   2.62977
   R142       2.05187  -0.00014  -0.00003   0.00011   0.00008   2.05195
   R143       2.05333  -0.00022  -0.00002  -0.00043  -0.00044   2.05289
   R144       2.77549   0.00233  -0.00005   0.00519   0.00514   2.78063
   R145       2.97997   0.00219   0.00000   0.01257   0.01259   2.99256
   R146       3.05029  -0.00148  -0.00001  -0.00318  -0.00319   3.04710
   R147       2.79341  -0.00356  -0.00009  -0.00836  -0.00831   2.78510
   R148       2.76709  -0.00164  -0.00001  -0.00554  -0.00556   2.76154
   R149       2.85992  -0.00004   0.00006  -0.00102  -0.00096   2.85897
   R150       2.06137  -0.00092  -0.00007   0.00074   0.00070   2.06207
   R151       2.06130   0.00039  -0.00005   0.00018   0.00018   2.06148
   R152       2.06932  -0.00029  -0.00003  -0.00054  -0.00057   2.06875
   R153       2.06644   0.00005  -0.00002   0.00056   0.00055   2.06699
   R154       2.06654  -0.00001  -0.00002   0.00047   0.00045   2.06699
   R155       2.86037   0.00039   0.00002   0.00108   0.00111   2.86147
   R156       2.06993  -0.00029  -0.00002  -0.00056  -0.00058   2.06935
   R157       2.06698  -0.00022  -0.00001  -0.00063  -0.00064   2.06633
   R158       2.06646  -0.00015  -0.00003   0.00020   0.00017   2.06663
   R159       2.06832  -0.00004  -0.00002   0.00025   0.00023   2.06855
   R160       2.06658  -0.00012  -0.00002   0.00014   0.00011   2.06669
   R161       5.42549   0.00007   0.00131  -0.02685  -0.02546   5.40003
   R162       5.71304   0.00077   0.00090  -0.01787  -0.01700   5.69604
    A1        2.04958  -0.00025   0.00001  -0.00123  -0.00122   2.04836
    A2        2.11853  -0.00013  -0.00001  -0.00040  -0.00041   2.11812
    A3        2.11505   0.00038   0.00000   0.00163   0.00164   2.11669
    A4        2.14058   0.00037  -0.00004   0.00128   0.00117   2.14175
    A5        2.07151  -0.00028   0.00003  -0.00173  -0.00169   2.06982
    A6        2.07074  -0.00009   0.00001   0.00012   0.00013   2.07087
    A7        2.06528   0.00024   0.00005   0.00050   0.00057   2.06585
    A8        2.13585  -0.00075  -0.00001   0.00147   0.00161   2.13746
    A9        2.07847   0.00049  -0.00005  -0.00165  -0.00187   2.07660
   A10        2.08743  -0.00027  -0.00002  -0.00094  -0.00099   2.08643
   A11        2.11062   0.00025   0.00002  -0.00090  -0.00095   2.10967
   A12        2.08513   0.00002   0.00000   0.00183   0.00194   2.08707
   A13        2.10916   0.00016   0.00001   0.00030   0.00026   2.10942
   A14        2.05443   0.00102  -0.00006   0.00873   0.00870   2.06313
   A15        2.11941  -0.00118   0.00005  -0.00905  -0.00898   2.11042
   A16        2.11397  -0.00025  -0.00001  -0.00021  -0.00022   2.11375
   A17        2.09749   0.00046  -0.00003   0.00370   0.00367   2.10116
   A18        2.07167  -0.00021   0.00004  -0.00353  -0.00349   2.06818
   A19        2.09183   0.00122   0.00012  -0.00003  -0.00011   2.09172
   A20        2.13428  -0.00363  -0.00023  -0.00661  -0.00677   2.12751
   A21        2.05396   0.00237   0.00013   0.00568   0.00586   2.05982
   A22        2.08512  -0.00029  -0.00003   0.00592   0.00588   2.09100
   A23        2.07555  -0.00394  -0.00034  -0.00708  -0.00748   2.06807
   A24        2.12014   0.00416   0.00034   0.00014   0.00044   2.12058
   A25        2.07286  -0.00387  -0.00006  -0.01815  -0.01843   2.05443
   A26        2.10937   0.00521   0.00057   0.01341   0.01365   2.12302
   A27        1.83772  -0.00102   0.00034  -0.00544  -0.00510   1.83262
   A28        2.07218  -0.00153  -0.00027  -0.00557  -0.00609   2.06609
   A29        1.35637   0.00390   0.00033   0.02342   0.02415   1.38052
   A30        2.05679   0.00168   0.00024   0.00325   0.00330   2.06009
   A31        2.08519  -0.00230  -0.00037  -0.00997  -0.01037   2.07483
   A32        2.14109   0.00063   0.00013   0.00650   0.00675   2.14784
   A33        2.15113   0.00036  -0.00003   0.00145   0.00137   2.15251
   A34        2.05940   0.00014  -0.00001   0.00151   0.00150   2.06089
   A35        2.07128  -0.00052   0.00004  -0.00347  -0.00343   2.06785
   A36        2.04581  -0.00083  -0.00007  -0.00250  -0.00261   2.04320
   A37        2.11689   0.00036   0.00004   0.00082   0.00086   2.11776
   A38        2.12000   0.00046   0.00003   0.00160   0.00164   2.12164
   A39        2.10914   0.00039   0.00002   0.00030   0.00031   2.10945
   A40        2.10553   0.00014  -0.00005   0.00350   0.00346   2.10899
   A41        2.06836  -0.00052   0.00003  -0.00379  -0.00376   2.06460
   A42        2.11763   0.00159   0.00013   0.00442   0.00454   2.12217
   A43        2.07383   0.00133  -0.00003   0.00955   0.00950   2.08334
   A44        2.09037  -0.00292  -0.00012  -0.01341  -0.01355   2.07682
   A45        2.06645  -0.00064   0.00004  -0.00209  -0.00193   2.06452
   A46        2.06532   0.00383   0.00091   0.00704   0.00760   2.07292
   A47        2.07246  -0.00309  -0.00061  -0.00850  -0.00895   2.06351
   A48        1.84544   0.00136  -0.00068   0.03036   0.02970   1.87514
   A49        1.53130  -0.00095   0.00015  -0.01523  -0.01487   1.51642
   A50        2.06634   0.00148   0.00004   0.00624   0.00631   2.07265
   A51        2.14738  -0.00186  -0.00003  -0.00276  -0.00280   2.14458
   A52        2.06663   0.00038   0.00000  -0.00368  -0.00368   2.06295
   A53        2.13955   0.00029  -0.00004  -0.00110  -0.00122   2.13833
   A54        2.08812  -0.00021   0.00002   0.00242   0.00245   2.09058
   A55        2.05551  -0.00008   0.00002  -0.00133  -0.00126   2.05424
   A56        2.06889  -0.00030   0.00001  -0.00378  -0.00380   2.06509
   A57        2.10021   0.00029  -0.00005   0.00442   0.00436   2.10457
   A58        2.09249   0.00031   0.00005   0.00311   0.00314   2.09563
   A59        2.09002  -0.00059   0.00001  -0.00726  -0.00727   2.08275
   A60        2.13984  -0.00065   0.00004  -0.00272  -0.00268   2.13716
   A61        2.05081   0.00007   0.00001  -0.00120  -0.00121   2.04960
   A62        2.09252   0.00057  -0.00005   0.00396   0.00389   2.09641
   A63        2.03462   0.00011  -0.00001  -0.00015  -0.00017   2.03446
   A64        2.12063   0.00031  -0.00000   0.00169   0.00169   2.12233
   A65        2.12788  -0.00041   0.00001  -0.00153  -0.00152   2.12636
   A66        2.13575   0.00008  -0.00001   0.00009   0.00006   2.13581
   A67        2.00751   0.00050  -0.00000   0.00370   0.00371   2.01122
   A68        2.13952  -0.00058   0.00002  -0.00384  -0.00381   2.13571
   A69        2.11796   0.00018   0.00004   0.00039   0.00043   2.11839
   A70        2.12529  -0.00004   0.00005  -0.00046  -0.00041   2.12488
   A71        2.03994  -0.00014  -0.00008   0.00007  -0.00002   2.03992
   A72        2.12277   0.00002   0.00000   0.00038   0.00039   2.12315
   A73        2.12121   0.00053   0.00006   0.00138   0.00144   2.12265
   A74        2.03918  -0.00054  -0.00006  -0.00175  -0.00182   2.03736
   A75        2.12492   0.00011   0.00005  -0.00045  -0.00040   2.12452
   A76        2.11463   0.00038   0.00002   0.00206   0.00208   2.11670
   A77        2.04364  -0.00049  -0.00007  -0.00161  -0.00168   2.04196
   A78        2.12725   0.00027   0.00005  -0.00038  -0.00032   2.12692
   A79        2.09894   0.00007  -0.00006   0.00258   0.00253   2.10147
   A80        2.05663  -0.00034   0.00000  -0.00232  -0.00231   2.05432
   A81        2.09605   0.00122   0.00001   0.00588   0.00589   2.10194
   A82        2.10575  -0.00158  -0.00009  -0.00840  -0.00850   2.09725
   A83        2.08117   0.00036   0.00007   0.00263   0.00269   2.08386
   A84        2.08012  -0.00236  -0.00006  -0.00907  -0.00913   2.07099
   A85        2.10143   0.00119   0.00002   0.00487   0.00489   2.10631
   A86        2.10164   0.00117   0.00004   0.00420   0.00424   2.10587
   A87        2.09573   0.00122   0.00002   0.00578   0.00581   2.10153
   A88        2.08102   0.00038   0.00007   0.00263   0.00270   2.08371
   A89        2.10619  -0.00160  -0.00010  -0.00834  -0.00844   2.09774
   A90        2.12777   0.00019   0.00005  -0.00045  -0.00041   2.12736
   A91        2.09716   0.00011  -0.00003   0.00231   0.00227   2.09943
   A92        2.05765  -0.00032  -0.00001  -0.00213  -0.00215   2.05550
   A93        2.12679   0.00006   0.00007  -0.00141  -0.00135   2.12544
   A94        2.09621  -0.00004  -0.00003   0.00130   0.00126   2.09747
   A95        2.05935  -0.00003  -0.00003  -0.00008  -0.00011   2.05924
   A96        2.09579   0.00115   0.00002   0.00555   0.00557   2.10136
   A97        2.10545  -0.00151  -0.00010  -0.00787  -0.00797   2.09748
   A98        2.08166   0.00036   0.00007   0.00243   0.00250   2.08416
   A99        2.08085  -0.00229  -0.00008  -0.00835  -0.00843   2.07242
   A100       2.10151   0.00128   0.00003   0.00515   0.00518   2.10669
   A101       2.10082   0.00101   0.00005   0.00321   0.00325   2.10407
   A102       2.09514   0.00119   0.00002   0.00560   0.00563   2.10077
   A103       2.08130   0.00033   0.00007   0.00215   0.00222   2.08352
   A104       2.10654  -0.00152  -0.00011  -0.00768  -0.00779   2.09875
   A105       2.12767   0.00003   0.00006  -0.00145  -0.00140   2.12627
   A106       2.09670  -0.00007  -0.00002   0.00094   0.00091   2.09761
   A107       2.05823   0.00003  -0.00003   0.00024   0.00020   2.05843
   A108       2.12475   0.00024   0.00006  -0.00031  -0.00026   2.12449
   A109       2.10002  -0.00006  -0.00003   0.00100   0.00097   2.10099
   A110       2.05780  -0.00018  -0.00003  -0.00082  -0.00084   2.05696
   A111       2.09581   0.00115   0.00002   0.00548   0.00550   2.10130
   A112       2.10580  -0.00152  -0.00010  -0.00797  -0.00807   2.09773
   A113       2.08134   0.00037   0.00007   0.00260   0.00267   2.08400
   A114       2.08129  -0.00230  -0.00007  -0.00868  -0.00874   2.07254
   A115       2.10054   0.00127   0.00003   0.00526   0.00528   2.10582
   A116       2.10136   0.00104   0.00005   0.00342   0.00346   2.10483
   A117       2.09535   0.00125   0.00002   0.00582   0.00585   2.10120
   A118       2.08157   0.00032   0.00007   0.00213   0.00220   2.08378
   A119       2.10603  -0.00157  -0.00011  -0.00787  -0.00798   2.09806
   A120       2.12532   0.00016   0.00005  -0.00069  -0.00064   2.12468
   A121       2.09415   0.00008  -0.00003   0.00198   0.00195   2.09610
   A122       2.06321  -0.00024  -0.00003  -0.00148  -0.00151   2.06171
   A123       2.19811  -0.00028   0.00004  -0.00206  -0.00203   2.19609
   A124       2.19697   0.00018   0.00003   0.00075   0.00077   2.19773
   A125       1.88810   0.00010  -0.00007   0.00131   0.00126   1.88936
   A126       2.19803  -0.00004   0.00003  -0.00024  -0.00022   2.19781
   A127       2.19751  -0.00009   0.00004  -0.00113  -0.00109   2.19642
   A128       1.88764   0.00014  -0.00007   0.00137   0.00132   1.88896
   A129       2.19762  -0.00018   0.00005  -0.00170  -0.00167   2.19596
   A130       2.19764   0.00006   0.00003   0.00032   0.00033   2.19797
   A131       1.88792   0.00012  -0.00007   0.00139   0.00133   1.88926
   A132       1.89970   0.00049   0.00001   0.00115   0.00114   1.90084
   A133       2.25242   0.00163   0.00007   0.00636   0.00641   2.25883
   A134       2.12935  -0.00210  -0.00010  -0.00681  -0.00694   2.12241
   A135       1.86885  -0.00056   0.00003  -0.00186  -0.00182   1.86703
   A136       2.08146   0.00121   0.00009   0.00382   0.00391   2.08537
   A137       2.33268  -0.00065  -0.00011  -0.00197  -0.00209   2.33059
   A138       1.86873  -0.00055   0.00003  -0.00184  -0.00180   1.86692
   A139       2.33265  -0.00063  -0.00011  -0.00184  -0.00195   2.33069
   A140       2.08162   0.00118   0.00009   0.00367   0.00375   2.08537
   A141       1.89984   0.00048   0.00001   0.00118   0.00118   1.90102
   A142       2.25261   0.00159   0.00007   0.00600   0.00604   2.25866
   A143       2.12896  -0.00205  -0.00010  -0.00645  -0.00658   2.12238
   A144       1.90030   0.00052   0.00001   0.00135   0.00134   1.90164
   A145       2.25219   0.00151   0.00008   0.00554   0.00559   2.25778
   A146       2.12904  -0.00202  -0.00011  -0.00615  -0.00629   2.12275
   A147       1.86800  -0.00054   0.00003  -0.00192  -0.00189   1.86611
   A148       2.08135   0.00116   0.00009   0.00352   0.00360   2.08495
   A149       2.33363  -0.00062  -0.00012  -0.00159  -0.00171   2.33192
   A150       1.86800  -0.00053   0.00003  -0.00177  -0.00174   1.86627
   A151       2.33377  -0.00068  -0.00011  -0.00203  -0.00215   2.33162
   A152       2.08123   0.00121   0.00009   0.00379   0.00388   2.08512
   A153       1.90036   0.00045   0.00001   0.00104   0.00103   1.90139
   A154       2.25217   0.00166   0.00007   0.00640   0.00644   2.25862
   A155       2.12907  -0.00210  -0.00010  -0.00673  -0.00686   2.12222
   A156       1.90011   0.00049   0.00001   0.00124   0.00123   1.90135
   A157       2.25247   0.00155   0.00008   0.00574   0.00579   2.25826
   A158       2.12893  -0.00203  -0.00011  -0.00625  -0.00638   2.12255
   A159       1.86830  -0.00053   0.00003  -0.00188  -0.00184   1.86646
   A160       2.08152   0.00117   0.00009   0.00357   0.00366   2.08517
   A161       2.33318  -0.00064  -0.00011  -0.00169  -0.00181   2.33136
   A162       1.86826  -0.00053   0.00003  -0.00177  -0.00173   1.86652
   A163       2.33333  -0.00067  -0.00011  -0.00201  -0.00213   2.33120
   A164       2.08141   0.00120   0.00009   0.00377   0.00385   2.08527
   A165       1.90017   0.00045   0.00001   0.00102   0.00102   1.90119
   A166       2.25245   0.00165   0.00007   0.00637   0.00642   2.25886
   A167       2.12897  -0.00208  -0.00010  -0.00670  -0.00682   2.12214
   A168       2.07993  -0.00002   0.00001  -0.00030  -0.00030   2.07962
   A169       2.09832   0.00032  -0.00005   0.00306   0.00301   2.10133
   A170       2.10491  -0.00029   0.00004  -0.00274  -0.00270   2.10221
   A171       2.10615  -0.00034  -0.00007  -0.00081  -0.00089   2.10526
   A172       2.09145   0.00007   0.00004  -0.00049  -0.00045   2.09100
   A173       2.08559   0.00027   0.00003   0.00130   0.00133   2.08692
   A174       2.11844   0.00028   0.00006  -0.00032  -0.00027   2.11818
   A175       2.08664  -0.00031   0.00002  -0.00167  -0.00165   2.08499
   A176       2.07811   0.00002  -0.00008   0.00198   0.00191   2.08001
   A177       2.05071   0.00096   0.00000   0.00455   0.00456   2.05527
   A178       2.11373   0.00044   0.00008   0.00247   0.00255   2.11628
   A179       2.11872  -0.00139  -0.00009  -0.00700  -0.00709   2.11163
   A180       2.05034   0.00099   0.00000   0.00481   0.00481   2.05516
   A181       2.11386   0.00044   0.00008   0.00251   0.00259   2.11645
   A182       2.11894  -0.00143  -0.00009  -0.00729  -0.00738   2.11156
   A183       2.11859   0.00028   0.00006  -0.00037  -0.00031   2.11828
   A184       2.07787   0.00004  -0.00008   0.00211   0.00203   2.07990
   A185       2.08672  -0.00031   0.00002  -0.00175  -0.00173   2.08500
   A186       2.10619  -0.00034  -0.00007  -0.00087  -0.00095   2.10524
   A187       2.08566   0.00027   0.00003   0.00133   0.00136   2.08701
   A188       2.09133   0.00007   0.00004  -0.00046  -0.00041   2.09092
   A189       2.07986  -0.00002   0.00000  -0.00024  -0.00024   2.07961
   A190       2.09829   0.00032  -0.00005   0.00308   0.00303   2.10133
   A191       2.10500  -0.00030   0.00005  -0.00283  -0.00278   2.10222
   A192       2.08015  -0.00002   0.00001  -0.00028  -0.00028   2.07986
   A193       2.09808   0.00033  -0.00005   0.00319   0.00314   2.10122
   A194       2.10493  -0.00031   0.00005  -0.00290  -0.00285   2.10208
   A195       2.10611  -0.00034  -0.00007  -0.00082  -0.00090   2.10520
   A196       2.09144   0.00007   0.00004  -0.00047  -0.00043   2.09101
   A197       2.08564   0.00027   0.00003   0.00130   0.00133   2.08697
   A198       2.11865   0.00028   0.00006  -0.00036  -0.00030   2.11835
   A199       2.08643  -0.00031   0.00002  -0.00170  -0.00168   2.08475
   A200       2.07810   0.00003  -0.00008   0.00206   0.00198   2.08009
   A201       2.05065   0.00097   0.00000   0.00471   0.00472   2.05537
   A202       2.11217   0.00049   0.00009   0.00279   0.00287   2.11504
   A203       2.12036  -0.00146  -0.00009  -0.00749  -0.00758   2.11277
   A204       2.05056   0.00096   0.00001   0.00443   0.00444   2.05500
   A205       2.11267   0.00044   0.00008   0.00251   0.00260   2.11527
   A206       2.11992  -0.00140  -0.00010  -0.00692  -0.00702   2.11290
   A207       2.11868   0.00026   0.00006  -0.00040  -0.00034   2.11833
   A208       2.07812   0.00003  -0.00008   0.00194   0.00186   2.07998
   A209       2.08639  -0.00029   0.00002  -0.00154  -0.00152   2.08486
   A210       2.10618  -0.00034  -0.00007  -0.00071  -0.00079   2.10539
   A211       2.08550   0.00027   0.00003   0.00127   0.00130   2.08680
   A212       2.09150   0.00007   0.00004  -0.00056  -0.00051   2.09098
   A213       2.08000  -0.00002   0.00001  -0.00034  -0.00034   2.07966
   A214       2.09832   0.00031  -0.00005   0.00300   0.00296   2.10127
   A215       2.10482  -0.00029   0.00004  -0.00265  -0.00260   2.10222
   A216       2.08009  -0.00002   0.00001  -0.00027  -0.00027   2.07982
   A217       2.09821   0.00032  -0.00005   0.00309   0.00304   2.10125
   A218       2.10485  -0.00030   0.00005  -0.00280  -0.00276   2.10210
   A219       2.10607  -0.00034  -0.00007  -0.00082  -0.00090   2.10517
   A220       2.09142   0.00007   0.00004  -0.00047  -0.00043   2.09099
   A221       2.08570   0.00026   0.00003   0.00129   0.00132   2.08703
   A222       2.11862   0.00027   0.00006  -0.00037  -0.00032   2.11830
   A223       2.08649  -0.00031   0.00002  -0.00173  -0.00171   2.08478
   A224       2.07808   0.00004  -0.00008   0.00211   0.00203   2.08010
   A225       2.05069   0.00097   0.00000   0.00471   0.00472   2.05541
   A226       2.11273   0.00047   0.00009   0.00267   0.00275   2.11548
   A227       2.11974  -0.00144  -0.00009  -0.00736  -0.00746   2.11228
   A228       2.05061   0.00096   0.00001   0.00448   0.00449   2.05510
   A229       2.11322   0.00044   0.00009   0.00246   0.00254   2.11576
   A230       2.11934  -0.00140  -0.00010  -0.00692  -0.00702   2.11232
   A231       2.11869   0.00026   0.00006  -0.00040  -0.00035   2.11834
   A232       2.07792   0.00004  -0.00008   0.00211   0.00203   2.07995
   A233       2.08657  -0.00031   0.00002  -0.00171  -0.00169   2.08488
   A234       2.10608  -0.00033  -0.00007  -0.00072  -0.00080   2.10529
   A235       2.08564   0.00027   0.00003   0.00125   0.00128   2.08692
   A236       2.09146   0.00007   0.00004  -0.00053  -0.00049   2.09098
   A237       2.08000  -0.00003   0.00001  -0.00034  -0.00034   2.07966
   A238       2.09821   0.00032  -0.00005   0.00312   0.00307   2.10128
   A239       2.10494  -0.00030   0.00004  -0.00276  -0.00272   2.10222
   A240       2.00753   0.00173   0.00050   0.00009   0.00066   2.00819
   A241       1.79973   0.00380   0.00021   0.01536   0.01524   1.81497
   A242       1.70453  -0.00058  -0.00041   0.00916   0.00889   1.71342
   A243       2.09173  -0.00358  -0.00031  -0.01192  -0.01220   2.07952
   A244       2.02202   0.00129   0.00035  -0.00150  -0.00127   2.02075
   A245       1.78326  -0.00221  -0.00044  -0.00662  -0.00706   1.77620
   A246       2.23015  -0.00395  -0.00002  -0.02708  -0.02718   2.20297
   A247       2.06482  -0.00104   0.00014  -0.00865  -0.00850   2.05632
   A248       1.85777  -0.00083  -0.00003   0.00503   0.00500   1.86277
   A249       1.87231   0.00022   0.00027  -0.00479  -0.00470   1.86761
   A250       1.89617   0.00110  -0.00002  -0.00346  -0.00330   1.89288
   A251       1.97389   0.00016  -0.00020   0.00170   0.00163   1.97551
   A252       1.97484  -0.00002  -0.00009   0.00111   0.00093   1.97577
   A253       1.88485  -0.00055   0.00009  -0.00013  -0.00010   1.88475
   A254       1.90155   0.00007  -0.00006   0.00215   0.00209   1.90364
   A255       1.93976   0.00019   0.00004   0.00030   0.00034   1.94010
   A256       1.93805   0.00023   0.00001   0.00130   0.00131   1.93936
   A257       1.89113  -0.00011   0.00002  -0.00113  -0.00111   1.89002
   A258       1.89022  -0.00008   0.00002  -0.00054  -0.00051   1.88971
   A259       1.90188  -0.00033  -0.00004  -0.00215  -0.00219   1.89969
   A260       1.87702   0.00018   0.00004   0.00012   0.00016   1.87718
   A261       1.89285   0.00013   0.00010   0.00020   0.00030   1.89315
   A262       1.88619   0.00037   0.00006   0.00396   0.00402   1.89021
   A263       1.94847  -0.00029  -0.00002  -0.00244  -0.00247   1.94600
   A264       1.96266  -0.00063  -0.00002  -0.00515  -0.00516   1.95749
   A265       1.89448   0.00028  -0.00015   0.00363   0.00347   1.89796
   A266       1.93589   0.00011  -0.00004   0.00204   0.00200   1.93789
   A267       1.91160   0.00022  -0.00000   0.00129   0.00129   1.91289
   A268       1.93599  -0.00000  -0.00001   0.00016   0.00015   1.93614
   A269       1.89177  -0.00013   0.00003  -0.00120  -0.00117   1.89060
   A270       1.89482  -0.00009   0.00000  -0.00109  -0.00109   1.89373
   A271       1.89270  -0.00012   0.00002  -0.00133  -0.00131   1.89139
   A272       1.89994   0.00101  -0.00025   0.00711   0.00676   1.90670
   A273       1.74264   0.00014  -0.00001   0.00193   0.00186   1.74449
   A274       1.52117   0.00245   0.00011   0.00853   0.00850   1.52967
   A275       1.72189   0.00191   0.00036  -0.00187  -0.00182   1.72007
   A276       1.09700   0.00118  -0.00010   0.01182   0.01160   1.10861
   A277       1.31647   0.00032   0.00004  -0.00042  -0.00076   1.31571
   A278       0.60606  -0.00026  -0.00011   0.00249   0.00238   0.60844
    D1        0.01769  -0.00003  -0.00005  -0.00081  -0.00087   0.01682
    D2        3.13017  -0.00023   0.00028  -0.01412  -0.01383   3.11634
    D3       -3.13045  -0.00009  -0.00009  -0.00098  -0.00108  -3.13153
    D4       -0.01798  -0.00029   0.00024  -0.01429  -0.01404  -0.03202
    D5       -0.01203  -0.00017   0.00020  -0.00785  -0.00766  -0.01969
    D6        3.11738  -0.00030   0.00017  -0.01105  -0.01089   3.10650
    D7        3.13610  -0.00011   0.00024  -0.00768  -0.00744   3.12866
    D8       -0.01767  -0.00024   0.00021  -0.01087  -0.01067  -0.02834
    D9        2.88854  -0.00185   0.00123  -0.07755  -0.07631   2.81223
   D10       -0.25130  -0.00187   0.00120  -0.07737  -0.07617  -0.32747
   D11       -0.25985  -0.00192   0.00119  -0.07773  -0.07655  -0.33639
   D12        2.88350  -0.00194   0.00115  -0.07755  -0.07640   2.80710
   D13       -0.00113   0.00031  -0.00025   0.01413   0.01389   0.01276
   D14       -3.05091   0.00050  -0.00015   0.01015   0.01002  -3.04089
   D15       -3.11362   0.00052  -0.00058   0.02746   0.02688  -3.08674
   D16        0.11978   0.00070  -0.00048   0.02348   0.02302   0.14280
   D17       -0.02133  -0.00040   0.00040  -0.01892  -0.01851  -0.03984
   D18        3.11794  -0.00072   0.00031  -0.02109  -0.02084   3.09710
   D19        3.03155  -0.00065   0.00030  -0.01491  -0.01460   3.01694
   D20       -0.11237  -0.00097   0.00022  -0.01707  -0.01693  -0.12930
   D21        3.13399   0.00071  -0.00081   0.04063   0.03974  -3.10945
   D22        0.07917   0.00127  -0.00110   0.05366   0.05255   0.13171
   D23        0.08487   0.00091  -0.00072   0.03651   0.03573   0.12060
   D24       -2.96995   0.00147  -0.00100   0.04954   0.04854  -2.92142
   D25        0.02717   0.00021  -0.00026   0.01087   0.01058   0.03775
   D26       -3.13503   0.00015  -0.00019   0.00942   0.00920  -3.12583
   D27       -3.11213   0.00052  -0.00017   0.01300   0.01289  -3.09925
   D28        0.00885   0.00046  -0.00011   0.01156   0.01150   0.02035
   D29       -0.11320  -0.00071   0.00060  -0.02113  -0.02053  -0.13373
   D30        3.01273  -0.00053   0.00070  -0.03628  -0.03536   2.97737
   D31        3.02607  -0.00102   0.00052  -0.02330  -0.02286   3.00321
   D32       -0.13118  -0.00084   0.00062  -0.03845  -0.03770  -0.16887
   D33       -0.01013   0.00007  -0.00005   0.00286   0.00282  -0.00731
   D34       -3.13972   0.00020  -0.00002   0.00596   0.00594  -3.13378
   D35       -3.13035   0.00011  -0.00012   0.00414   0.00403  -3.12632
   D36        0.02325   0.00024  -0.00009   0.00724   0.00715   0.03040
   D37        0.17345   0.00038   0.00036  -0.01643  -0.01594   0.15751
   D38       -2.89524   0.00125   0.00064  -0.00080   0.00002  -2.89521
   D39       -3.05097  -0.00044   0.00061  -0.02947  -0.02886  -3.07983
   D40        0.16353   0.00042   0.00089  -0.01383  -0.01290   0.15063
   D41        2.97063  -0.00072  -0.00013  -0.00057  -0.00079   2.96984
   D42       -0.11382  -0.00024  -0.00027   0.01031   0.00999  -0.10383
   D43       -0.08598  -0.00012  -0.00041   0.01245   0.01206  -0.07392
   D44        3.11275   0.00035  -0.00055   0.02333   0.02284   3.13559
   D45       -0.40283  -0.00060   0.00053  -0.01782  -0.01717  -0.42001
   D46        2.99740   0.00048  -0.00075   0.02852   0.02790   3.02530
   D47        1.06625   0.00256   0.00109   0.00256   0.00403   1.07028
   D48        2.66393  -0.00184   0.00021  -0.03417  -0.03396   2.62997
   D49       -0.21902  -0.00076  -0.00108   0.01217   0.01111  -0.20791
   D50       -2.15016   0.00131   0.00076  -0.01379  -0.01276  -2.16293
   D51       -0.11098  -0.00070  -0.00077   0.00243   0.00162  -0.10936
   D52        2.97462  -0.00065  -0.00118   0.01374   0.01262   2.98723
   D53        3.10504   0.00039  -0.00046   0.01815   0.01764   3.12267
   D54       -0.09255   0.00044  -0.00088   0.02946   0.02863  -0.06391
   D55        0.37013   0.00093  -0.00097   0.03619   0.03497   0.40511
   D56       -2.75526   0.00077  -0.00107   0.05202   0.05063  -2.70463
   D57       -3.02453   0.00090   0.00037  -0.00626  -0.00554  -3.03008
   D58        0.13326   0.00073   0.00027   0.00957   0.01012   0.14337
   D59       -1.39020  -0.00037  -0.00154   0.02820   0.02663  -1.36356
   D60        1.76759  -0.00053  -0.00164   0.04402   0.04230   1.80989
   D61        2.71543  -0.00188   0.00073  -0.04519  -0.04484   2.67059
   D62       -0.84730  -0.00240   0.00154  -0.05627  -0.05524  -0.90255
   D63       -0.16762  -0.00046  -0.00058   0.00296   0.00228  -0.16534
   D64        2.55283  -0.00098   0.00023  -0.00811  -0.00812   2.54471
   D65        2.39794   0.00542   0.00028   0.03195   0.03213   2.43007
   D66        1.82435   0.00545   0.00048   0.02564   0.02608   1.85043
   D67       -1.84651   0.00226   0.00026   0.01821   0.01828  -1.82823
   D68       -2.42010   0.00229   0.00047   0.01190   0.01223  -2.40787
   D69       -3.13922  -0.00089  -0.00007   0.00162   0.00114  -3.13808
   D70       -0.01408  -0.00068   0.00003  -0.01433  -0.01452  -0.02860
   D71       -0.04823  -0.00035  -0.00027  -0.00018  -0.00045  -0.04867
   D72        3.12630   0.00002  -0.00012   0.00290   0.00279   3.12909
   D73        3.03586  -0.00081  -0.00013  -0.01098  -0.01111   3.02474
   D74       -0.07280  -0.00044   0.00002  -0.00790  -0.00788  -0.08068
   D75        0.10621  -0.00002   0.00041  -0.01214  -0.01169   0.09452
   D76       -3.05402   0.00008   0.00044  -0.01159  -0.01112  -3.06514
   D77       -3.06838  -0.00039   0.00027  -0.01524  -0.01495  -3.08333
   D78        0.05458  -0.00030   0.00029  -0.01469  -0.01437   0.04020
   D79        2.97247  -0.00166   0.00075  -0.05942  -0.05868   2.91379
   D80       -0.17718  -0.00169   0.00067  -0.05844  -0.05778  -0.23495
   D81       -0.13478  -0.00125   0.00091  -0.05613  -0.05522  -0.19000
   D82        2.99875  -0.00127   0.00082  -0.05515  -0.05432   2.94444
   D83       -0.02764   0.00070   0.00012   0.01128   0.01140  -0.01625
   D84       -3.11272   0.00051   0.00053  -0.00087  -0.00029  -3.11301
   D85        3.13220   0.00060   0.00010   0.01066   0.01076  -3.14022
   D86        0.04713   0.00041   0.00051  -0.00149  -0.00093   0.04620
   D87        0.09487   0.00031   0.00061  -0.00836  -0.00782   0.08706
   D88       -2.96454   0.00029   0.00038  -0.00540  -0.00503  -2.96958
   D89       -2.62384  -0.00086  -0.00052  -0.00104  -0.00150  -2.62534
   D90        0.59993  -0.00088  -0.00075   0.00192   0.00129   0.60122
   D91       -0.94509  -0.00226  -0.00090  -0.00442  -0.00528  -0.95037
   D92        2.27868  -0.00229  -0.00113  -0.00146  -0.00250   2.27618
   D93        0.08438  -0.00078  -0.00179   0.02380   0.02212   0.10649
   D94       -2.22431  -0.00052  -0.00194   0.02663   0.02496  -2.19935
   D95        2.23559   0.00119  -0.00140   0.02797   0.02670   2.26229
   D96        2.80336  -0.00070  -0.00085   0.01427   0.01343   2.81679
   D97        0.49467  -0.00044  -0.00100   0.01710   0.01627   0.51094
   D98       -1.32862   0.00128  -0.00046   0.01844   0.01801  -1.31060
   D99        0.94055  -0.00135  -0.00010  -0.01096  -0.01123   0.92932
   D100      -1.36814  -0.00108  -0.00025  -0.00813  -0.00839  -1.37653
   D101       3.09176   0.00063   0.00029  -0.00679  -0.00665   3.08511
   D102      -0.92083  -0.00006   0.00081  -0.01001  -0.00915  -0.92998
   D103      -1.52837   0.00008   0.00100  -0.01646  -0.01539  -1.54376
   D104       1.16076  -0.00342   0.00016  -0.02007  -0.01992   1.14084
   D105       0.55321  -0.00328   0.00034  -0.02651  -0.02616   0.52706
   D106       0.02450  -0.00011  -0.00029   0.00418   0.00404   0.02854
   D107      -3.11451   0.00019  -0.00044   0.01142   0.01103  -3.10348
   D108       3.08778  -0.00020  -0.00007   0.00137   0.00140   3.08918
   D109      -0.05124   0.00010  -0.00022   0.00861   0.00839  -0.04284
   D110       3.10021   0.00010   0.00041  -0.00677  -0.00640   3.09381
   D111      -0.00880  -0.00036   0.00045  -0.01615  -0.01575  -0.02455
   D112       0.04080   0.00003   0.00018  -0.00425  -0.00407   0.03673
   D113      -3.06820  -0.00043   0.00022  -0.01363  -0.01343  -3.08163
   D114      -0.06443   0.00023  -0.00004   0.00735   0.00729  -0.05714
   D115       3.07463  -0.00007   0.00011   0.00024   0.00044   3.07507
   D116       0.02401  -0.00015   0.00006  -0.00588  -0.00584   0.01817
   D117       3.13577  -0.00020   0.00015  -0.00765  -0.00749   3.12828
   D118      -3.11513   0.00014  -0.00009   0.00101   0.00083  -3.11430
   D119      -0.00337   0.00009   0.00001  -0.00076  -0.00083  -0.00420
   D120      -0.00223  -0.00012   0.00002  -0.00312  -0.00309  -0.00532
   D121      -3.13859  -0.00051   0.00004  -0.01337  -0.01330   3.13130
   D122       3.10682   0.00035  -0.00001   0.00644   0.00639   3.11321
   D123      -0.02954  -0.00003   0.00001  -0.00381  -0.00382  -0.03336
   D124      -0.02542   0.00009  -0.00018   0.00577   0.00559  -0.01982
   D125       3.12684   0.00004  -0.00018   0.00473   0.00453   3.13138
   D126       3.11083   0.00048  -0.00021   0.01624   0.01605   3.12687
   D127      -0.02010   0.00043  -0.00021   0.01520   0.01499  -0.00511
   D128       0.01415   0.00005   0.00014  -0.00114  -0.00102   0.01312
   D129      -3.09536   0.00008   0.00004   0.00062   0.00062  -3.09475
   D130      -3.13816   0.00010   0.00014  -0.00008   0.00006  -3.13810
   D131       0.03552   0.00013   0.00004   0.00169   0.00170   0.03722
   D132       0.21399   0.00153  -0.00099   0.06227   0.06129   0.27528
   D133      -2.92777   0.00153  -0.00090   0.06063   0.05973  -2.86804
   D134      -2.91636   0.00147  -0.00099   0.06116   0.06016  -2.85620
   D135       0.22506   0.00148  -0.00091   0.05952   0.05860   0.28366
   D136      -3.12916  -0.00010  -0.00014  -0.00036  -0.00050  -3.12966
   D137      -0.03238  -0.00023  -0.00007  -0.00548  -0.00555  -0.03793
   D138       0.01076  -0.00008  -0.00011  -0.00053  -0.00064   0.01012
   D139       3.10755  -0.00021  -0.00003  -0.00565  -0.00569   3.10186
   D140      -3.13618   0.00001  -0.00000   0.00017   0.00017  -3.13601
   D141      -0.03208  -0.00026   0.00006  -0.00839  -0.00833  -0.04041
   D142       0.00709  -0.00001  -0.00004   0.00034   0.00031   0.00740
   D143       3.11119  -0.00028   0.00003  -0.00822  -0.00819   3.10300
   D144      -3.12817  -0.00016  -0.00022  -0.00086  -0.00109  -3.12926
   D145      -0.01613  -0.00028  -0.00016  -0.00528  -0.00545  -0.02158
   D146       0.02112  -0.00015  -0.00014  -0.00182  -0.00196   0.01916
   D147       3.13316  -0.00027  -0.00008  -0.00623  -0.00632   3.12684
   D148      -3.13761   0.00009   0.00007   0.00108   0.00115  -3.13645
   D149      -0.03402  -0.00020   0.00012  -0.00744  -0.00733  -0.04136
   D150      -0.00371   0.00007  -0.00001   0.00203   0.00202  -0.00168
   D151       3.09988  -0.00022   0.00004  -0.00649  -0.00646   3.09341
   D152       3.12593   0.00013   0.00018   0.00026   0.00045   3.12639
   D153       0.02281   0.00024   0.00013   0.00450   0.00463   0.02744
   D154      -0.01549   0.00012   0.00010   0.00184   0.00195  -0.01355
   D155      -3.11862   0.00023   0.00004   0.00608   0.00613  -3.11249
   D156       3.13960  -0.00005  -0.00004  -0.00030  -0.00035   3.13926
   D157       0.03265   0.00018  -0.00005   0.00602   0.00597   0.03863
   D158      -0.00215  -0.00004   0.00004  -0.00187  -0.00183  -0.00399
   D159      -3.10910   0.00019   0.00003   0.00445   0.00449  -3.10462
   D160      -0.02051   0.00008   0.00015   0.00030   0.00045  -0.02005
   D161       3.09859   0.00005  -0.00031   0.00605   0.00573   3.10432
   D162      -3.13324   0.00020   0.00009   0.00453   0.00462  -3.12861
   D163      -0.01414   0.00016  -0.00036   0.01028   0.00990  -0.00424
   D164       0.00186   0.00004  -0.00001   0.00099   0.00098   0.00284
   D165      -3.13690   0.00003  -0.00001   0.00063   0.00062  -3.13628
   D166      -3.11755   0.00010   0.00045  -0.00454  -0.00412  -3.12166
   D167       0.02687   0.00009   0.00044  -0.00490  -0.00447   0.02240
   D168       0.01511  -0.00010  -0.00014  -0.00069  -0.00083   0.01428
   D169      -3.10224   0.00007   0.00035  -0.00419  -0.00385  -3.10609
   D170      -3.12931  -0.00009  -0.00013  -0.00033  -0.00047  -3.12978
   D171       0.03653   0.00007   0.00035  -0.00383  -0.00349   0.03303
   D172       0.86082   0.00056  -0.00144   0.03734   0.03591   0.89673
   D173      -2.28384   0.00059  -0.00147   0.03858   0.03711  -2.24673
   D174      -2.27791   0.00056  -0.00144   0.03700   0.03556  -2.24235
   D175       0.86062   0.00059  -0.00147   0.03824   0.03677   0.89738
   D176      -0.01421   0.00003   0.00015  -0.00090  -0.00075  -0.01496
   D177      -3.11862   0.00031   0.00010   0.00735   0.00744  -3.11118
   D178       3.10278  -0.00011  -0.00034   0.00281   0.00246   3.10524
   D179      -0.00162   0.00017  -0.00039   0.01105   0.01065   0.00903
   D180      -0.01843   0.00008   0.00015  -0.00010   0.00005  -0.01838
   D181       3.09744   0.00001  -0.00032   0.00522   0.00488   3.10232
   D182      -3.11613   0.00021   0.00008   0.00488   0.00496  -3.11117
   D183      -0.00026   0.00014  -0.00039   0.01020   0.00979   0.00953
   D184       0.00805  -0.00000  -0.00005   0.00082   0.00077   0.00881
   D185      -3.13217  -0.00003  -0.00005  -0.00034  -0.00039  -3.13257
   D186      -3.10817   0.00009   0.00042  -0.00428  -0.00387  -3.11205
   D187       0.03479   0.00006   0.00042  -0.00544  -0.00503   0.02976
   D188       0.00935  -0.00007  -0.00009  -0.00089  -0.00099   0.00837
   D189      -3.11019   0.00008   0.00038  -0.00450  -0.00412  -3.11431
   D190      -3.13361  -0.00005  -0.00009   0.00027   0.00017  -3.13344
   D191       0.03003   0.00011   0.00038  -0.00333  -0.00296   0.02707
   D192      -2.26732   0.00065  -0.00155   0.04098   0.03943  -2.22789
   D193       0.87706   0.00068  -0.00156   0.04210   0.04054   0.91760
   D194       0.87566   0.00062  -0.00155   0.03981   0.03826   0.91392
   D195      -2.26315   0.00066  -0.00155   0.04093   0.03937  -2.22378
   D196      -0.01718   0.00007   0.00014   0.00031   0.00045  -0.01673
   D197      -3.12207   0.00034   0.00007   0.00867   0.00875  -3.11332
   D198       3.10205  -0.00006  -0.00034   0.00409   0.00373   3.10578
   D199      -0.00284   0.00020  -0.00040   0.01245   0.01204   0.00919
   D200       0.01939  -0.00008  -0.00014  -0.00018  -0.00032   0.01907
   D201      -3.09808  -0.00004   0.00032  -0.00593  -0.00559  -3.10367
   D202       3.12341  -0.00018  -0.00009  -0.00427  -0.00436   3.11905
   D203       0.00594  -0.00014   0.00038  -0.01003  -0.00963  -0.00369
   D204      -0.00527  -0.00003   0.00004  -0.00142  -0.00138  -0.00665
   D205       3.13497  -0.00001   0.00003  -0.00026  -0.00023   3.13475
   D206       3.11253  -0.00009  -0.00042   0.00411   0.00371   3.11624
   D207      -0.03041  -0.00007  -0.00043   0.00527   0.00486  -0.02555
   D208      -0.01196   0.00009   0.00010   0.00130   0.00140  -0.01056
   D209       3.10690  -0.00005  -0.00039   0.00559   0.00521   3.11212
   D210       3.13098   0.00007   0.00010   0.00014   0.00025   3.13123
   D211      -0.03334  -0.00007  -0.00038   0.00443   0.00406  -0.02928
   D212       2.27248  -0.00064   0.00154  -0.04090  -0.03937   2.23311
   D213      -0.87046  -0.00064   0.00153  -0.04076  -0.03924  -0.90969
   D214      -0.87048  -0.00062   0.00153  -0.03974  -0.03820  -0.90868
   D215       2.26978  -0.00062   0.00152  -0.03960  -0.03808   2.23170
   D216       0.01581  -0.00005  -0.00014   0.00040   0.00026   0.01607
   D217       3.12335  -0.00027  -0.00013  -0.00575  -0.00588   3.11748
   D218      -3.10273   0.00007   0.00035  -0.00409  -0.00372  -3.10645
   D219       0.00481  -0.00015   0.00036  -0.01024  -0.00986  -0.00505
   D220      -3.13944   0.00004   0.00001   0.00059   0.00059  -3.13885
   D221       0.06395  -0.00018   0.00034  -0.01294  -0.01266   0.05130
   D222      -0.00022   0.00001   0.00002  -0.00037  -0.00035  -0.00057
   D223      -3.08001  -0.00021   0.00035  -0.01390  -0.01360  -3.09362
   D224       3.13649   0.00004   0.00002   0.00069   0.00070   3.13720
   D225       0.05534  -0.00017   0.00036  -0.01273  -0.01243   0.04291
   D226      -0.00273   0.00007   0.00001   0.00165   0.00166  -0.00107
   D227      -3.08388  -0.00014   0.00036  -0.01177  -0.01147  -3.09535
   D228       3.13879   0.00006  -0.00001   0.00155   0.00153   3.14032
   D229       0.06014  -0.00013   0.00031  -0.01093  -0.01067   0.04946
   D230      -0.00018   0.00003   0.00001   0.00050   0.00050   0.00032
   D231      -3.07884  -0.00015   0.00034  -0.01198  -0.01170  -3.09054
   D232       3.14095   0.00003   0.00005  -0.00034  -0.00029   3.14066
   D233       0.06329  -0.00018   0.00037  -0.01327  -0.01296   0.05032
   D234      -0.00325   0.00005   0.00002   0.00072   0.00073  -0.00252
   D235      -3.08092  -0.00016   0.00034  -0.01222  -0.01194  -3.09286
   D236      -3.14067  -0.00003  -0.00003  -0.00003  -0.00006  -3.14073
   D237      -0.06121   0.00019  -0.00036   0.01346   0.01316  -0.04805
   D238       0.00207  -0.00003  -0.00002  -0.00015  -0.00017   0.00190
   D239       3.08153   0.00019  -0.00035   0.01334   0.01305   3.09458
   D240      -3.13925  -0.00005   0.00000  -0.00128  -0.00127  -3.14053
   D241      -0.05851   0.00014  -0.00034   0.01167   0.01139  -0.04712
   D242       0.00119  -0.00005  -0.00001  -0.00116  -0.00117   0.00003
   D243       3.08194   0.00015  -0.00035   0.01179   0.01149   3.09343
   D244       0.00344  -0.00010  -0.00004  -0.00148  -0.00150   0.00194
   D245      -3.11957  -0.00009  -0.00006  -0.00117  -0.00122  -3.12078
   D246       3.08741   0.00022  -0.00033   0.01049   0.01011   3.09752
   D247      -0.03560   0.00023  -0.00035   0.01079   0.01040  -0.02520
   D248       3.10453   0.00015  -0.00004   0.00555   0.00553   3.11006
   D249      -0.02796   0.00021   0.00020   0.00296   0.00316  -0.02481
   D250       0.03319  -0.00016   0.00032  -0.00871  -0.00836   0.02482
   D251      -3.09931  -0.00010   0.00056  -0.01131  -0.01073  -3.11004
   D252      -0.00535   0.00013   0.00005   0.00191   0.00193  -0.00342
   D253       3.11414   0.00016   0.00010   0.00151   0.00159   3.11573
   D254       3.11383   0.00015   0.00008   0.00163   0.00168   3.11551
   D255      -0.04986   0.00018   0.00013   0.00123   0.00133  -0.04853
   D256       0.01189  -0.00010   0.00013  -0.00446  -0.00433   0.00756
   D257      -3.13880  -0.00007   0.00008  -0.00313  -0.00305   3.14133
   D258      -3.10515  -0.00010   0.00010  -0.00409  -0.00398  -3.10913
   D259       0.02735  -0.00007   0.00005  -0.00276  -0.00271   0.02464
   D260       0.00532  -0.00011  -0.00004  -0.00162  -0.00165   0.00368
   D261       3.08841   0.00023  -0.00032   0.01074   0.01037   3.09878
   D262      -3.11795  -0.00011  -0.00008  -0.00122  -0.00128  -3.11923
   D263      -0.03486   0.00023  -0.00036   0.01114   0.01073  -0.02413
   D264      -3.10563  -0.00012   0.00008  -0.00433  -0.00424  -3.10987
   D265       0.02697  -0.00007   0.00003  -0.00246  -0.00242   0.02455
   D266       0.01175  -0.00011   0.00014  -0.00483  -0.00469   0.00707
   D267      -3.13883  -0.00006   0.00009  -0.00296  -0.00287   3.14148
   D268       3.10297   0.00018  -0.00003   0.00590   0.00589   3.10886
   D269      -0.03175   0.00023   0.00022   0.00300   0.00323  -0.02852
   D270       0.03271  -0.00016   0.00032  -0.00886  -0.00851   0.02420
   D271      -3.10201  -0.00010   0.00057  -0.01176  -0.01116  -3.11318
   D272       0.00299  -0.00009  -0.00004  -0.00102  -0.00104   0.00195
   D273      -3.11990  -0.00010  -0.00007  -0.00108  -0.00113  -3.12103
   D274       3.08800   0.00026  -0.00033   0.01184   0.01146   3.09946
   D275      -0.03489   0.00025  -0.00036   0.01178   0.01137  -0.02352
   D276       3.10508   0.00017  -0.00004   0.00602   0.00600   3.11108
   D277      -0.02752   0.00021   0.00021   0.00259   0.00280  -0.02471
   D278       0.03244  -0.00017   0.00032  -0.00937  -0.00902   0.02342
   D279      -3.10016  -0.00013   0.00057  -0.01281  -0.01222  -3.11238
   D280      -0.00459   0.00013   0.00005   0.00201   0.00203  -0.00256
   D281       3.11612   0.00015   0.00008   0.00160   0.00165   3.11777
   D282       3.11443   0.00017   0.00009   0.00216   0.00222   3.11665
   D283      -0.04805   0.00019   0.00012   0.00175   0.00184  -0.04621
   D284       0.01189  -0.00011   0.00014  -0.00512  -0.00498   0.00691
   D285      -3.13932  -0.00006   0.00009  -0.00285  -0.00276   3.14110
   D286      -3.10496  -0.00014   0.00009  -0.00522  -0.00513  -3.11009
   D287       0.02701  -0.00008   0.00004  -0.00295  -0.00291   0.02410
   D288       0.00453  -0.00012  -0.00004  -0.00226  -0.00228   0.00225
   D289       3.09078   0.00022  -0.00034   0.01055   0.01015   3.10093
   D290      -3.11976  -0.00011  -0.00006  -0.00185  -0.00189  -3.12165
   D291      -0.03351   0.00023  -0.00037   0.01096   0.01054  -0.02297
   D292      -3.10698  -0.00011   0.00010  -0.00431  -0.00420  -3.11118
   D293       0.02637  -0.00007   0.00005  -0.00269  -0.00264   0.02373
   D294       0.01172  -0.00011   0.00013  -0.00482  -0.00468   0.00704
   D295      -3.13811  -0.00007   0.00008  -0.00320  -0.00312  -3.14122
   D296       3.10525   0.00018  -0.00005   0.00658   0.00655   3.11180
   D297      -0.03101   0.00024   0.00020   0.00381   0.00402  -0.02699
   D298       0.03109  -0.00015   0.00033  -0.00871  -0.00834   0.02275
   D299      -3.10517  -0.00009   0.00058  -0.01147  -0.01087  -3.11604
   D300      -0.00443   0.00010   0.00004   0.00137   0.00139  -0.00304
   D301       3.11912   0.00011   0.00008   0.00125   0.00131   3.12042
   D302      -3.08915  -0.00025   0.00033  -0.01147  -0.01109  -3.10024
   D303       0.03440  -0.00024   0.00037  -0.01159  -0.01118   0.02322
   D304      -3.10444  -0.00018   0.00003  -0.00607  -0.00605  -3.11049
   D305       0.03090  -0.00023  -0.00021  -0.00310  -0.00331   0.02758
   D306      -0.03217   0.00017  -0.00033   0.00929   0.00893  -0.02324
   D307       3.10317   0.00011  -0.00057   0.01226   0.01167   3.11484
   D308       0.00508  -0.00014  -0.00005  -0.00206  -0.00208   0.00300
   D309      -3.11497  -0.00015  -0.00008  -0.00159  -0.00165  -3.11662
   D310      -3.11474  -0.00017  -0.00009  -0.00200  -0.00206  -3.11680
   D311       0.04839  -0.00018  -0.00013  -0.00153  -0.00162   0.04677
   D312      -0.01162   0.00011  -0.00014   0.00491   0.00477  -0.00684
   D313       3.13860   0.00006  -0.00009   0.00310   0.00301  -3.14157
   D314       3.10612   0.00012  -0.00009   0.00478   0.00468   3.11080
   D315      -0.02685   0.00008  -0.00004   0.00297   0.00292  -0.02393
   D316      -0.00389   0.00011   0.00004   0.00199   0.00201  -0.00189
   D317      -3.08979  -0.00021   0.00034  -0.01038  -0.00999  -3.09979
   D318       3.11985   0.00010   0.00006   0.00152   0.00157   3.12142
   D319       0.03395  -0.00022   0.00037  -0.01085  -0.01043   0.02352
   D320       3.10609   0.00011  -0.00010   0.00417   0.00407   3.11016
   D321      -0.02658   0.00007  -0.00004   0.00256   0.00251  -0.02406
   D322      -0.01190   0.00011  -0.00013   0.00475   0.00461  -0.00728
   D323       3.13862   0.00007  -0.00008   0.00314   0.00306  -3.14151
   D324      -3.10494  -0.00017   0.00004  -0.00621  -0.00618  -3.11112
   D325       0.02911  -0.00023  -0.00021  -0.00330  -0.00352   0.02559
   D326      -0.03123   0.00015  -0.00033   0.00855   0.00819  -0.02304
   D327       3.10281   0.00009  -0.00058   0.01145   0.01085   3.11367
   D328       0.01173  -0.00003   0.00012  -0.00303  -0.00293   0.00880
   D329      -3.13193  -0.00014  -0.00004  -0.00334  -0.00339  -3.13532
   D330      -3.12083  -0.00008   0.00016  -0.00494  -0.00477  -3.12561
   D331       0.01869  -0.00019   0.00001  -0.00525  -0.00524   0.01346
   D332      -0.01363   0.00011  -0.00015   0.00528   0.00513  -0.00850
   D333       3.12802  -0.00006  -0.00021   0.00212   0.00192   3.12994
   D334       3.13002   0.00021   0.00000   0.00560   0.00559   3.13561
   D335      -0.01151   0.00005  -0.00005   0.00243   0.00239  -0.00913
   D336      -0.00846  -0.00004  -0.00007   0.00057   0.00051  -0.00794
   D337       3.12624  -0.00009  -0.00032   0.00351   0.00320   3.12945
   D338       3.13308   0.00012  -0.00001   0.00372   0.00371   3.13679
   D339      -0.01540   0.00007  -0.00026   0.00666   0.00640  -0.00900
   D340      -0.00808  -0.00004  -0.00007   0.00058   0.00053  -0.00755
   D341       3.13438   0.00013  -0.00001   0.00389   0.00389   3.13826
   D342       3.12439  -0.00010  -0.00031   0.00324   0.00295   3.12733
   D343      -0.01634   0.00007  -0.00026   0.00655   0.00630  -0.01004
   D344      -0.01460   0.00011  -0.00014   0.00528   0.00513  -0.00946
   D345       3.13027   0.00022   0.00001   0.00569   0.00569   3.13596
   D346       3.12613  -0.00006  -0.00020   0.00196   0.00177   3.12790
   D347      -0.01219   0.00005  -0.00004   0.00236   0.00232  -0.00987
   D348       0.01242  -0.00004   0.00011  -0.00322  -0.00312   0.00930
   D349      -3.12004  -0.00007   0.00016  -0.00459  -0.00443  -3.12447
   D350      -3.13246  -0.00015  -0.00005  -0.00362  -0.00367  -3.13613
   D351       0.01827  -0.00018   0.00001  -0.00499  -0.00498   0.01329
   D352       0.01078  -0.00002   0.00012  -0.00284  -0.00274   0.00805
   D353      -3.13185  -0.00014  -0.00004  -0.00355  -0.00359  -3.13545
   D354      -3.12254  -0.00006   0.00017  -0.00450  -0.00433  -3.12687
   D355       0.01801  -0.00018   0.00001  -0.00521  -0.00519   0.01282
   D356      -0.01298   0.00010  -0.00015   0.00507   0.00491  -0.00806
   D357       3.12926  -0.00007  -0.00021   0.00179   0.00159   3.13086
   D358       3.12966   0.00022   0.00000   0.00578   0.00577   3.13543
   D359      -0.01129   0.00005  -0.00005   0.00250   0.00245  -0.00884
   D360      -0.00784  -0.00004  -0.00007   0.00060   0.00055  -0.00729
   D361       3.12840  -0.00010  -0.00032   0.00342   0.00311   3.13151
   D362       3.13311   0.00013  -0.00002   0.00387   0.00386   3.13697
   D363      -0.01384   0.00007  -0.00027   0.00668   0.00642  -0.00741
   D364      -0.00798  -0.00004  -0.00007   0.00062   0.00057  -0.00741
   D365       3.13517   0.00011  -0.00002   0.00344   0.00343   3.13860
   D366       3.12457  -0.00007  -0.00031   0.00412   0.00382   3.12839
   D367      -0.01546   0.00008  -0.00026   0.00694   0.00668  -0.00878
   D368      -0.01401   0.00011  -0.00015   0.00557   0.00541  -0.00860
   D369       3.13091   0.00020   0.00000   0.00531   0.00530   3.13622
   D370       3.12602  -0.00004  -0.00020   0.00274   0.00255   3.12856
   D371      -0.01224   0.00006  -0.00005   0.00248   0.00244  -0.00981
   D372       0.01179  -0.00003   0.00011  -0.00319  -0.00308   0.00871
   D373      -3.12015  -0.00010   0.00017  -0.00550  -0.00533  -3.12548
   D374      -3.13315  -0.00013  -0.00004  -0.00292  -0.00297  -3.13612
   D375       0.01810  -0.00019   0.00001  -0.00523  -0.00522   0.01288
   D376      -0.01116   0.00002  -0.00012   0.00292   0.00281  -0.00835
   D377       3.13230   0.00015   0.00004   0.00361   0.00366   3.13596
   D378       3.12147   0.00006  -0.00017   0.00457   0.00440   3.12587
   D379      -0.01825   0.00019  -0.00001   0.00526   0.00524  -0.01300
   D380       0.01367  -0.00010   0.00015  -0.00520  -0.00504   0.00863
   D381      -3.12791   0.00007   0.00021  -0.00183  -0.00163  -3.12954
   D382      -3.12979  -0.00023  -0.00001  -0.00589  -0.00589  -3.13568
   D383       0.01181  -0.00005   0.00005  -0.00251  -0.00247   0.00934
   D384       0.00741   0.00005   0.00007  -0.00044  -0.00039   0.00703
   D385      -3.12660   0.00010   0.00032  -0.00340  -0.00309  -3.12970
   D386      -3.13419  -0.00012   0.00002  -0.00380  -0.00380  -3.13798
   D387       0.01498  -0.00007   0.00027  -0.00676  -0.00650   0.00848
   D388       0.00816   0.00004   0.00007  -0.00063  -0.00058   0.00758
   D389      -3.13287  -0.00013   0.00002  -0.00407  -0.00406  -3.13693
   D390      -3.12716   0.00009   0.00032  -0.00365  -0.00335  -3.13050
   D391       0.01500  -0.00008   0.00026  -0.00709  -0.00683   0.00817
   D392       0.01362  -0.00011   0.00015  -0.00558  -0.00542   0.00820
   D393      -3.12962  -0.00022  -0.00001  -0.00582  -0.00582  -3.13544
   D394      -3.12855   0.00006   0.00021  -0.00212  -0.00192  -3.13047
   D395       0.01140  -0.00005   0.00005  -0.00236  -0.00232   0.00907
   D396      -0.01163   0.00004  -0.00012   0.00331   0.00320  -0.00843
   D397       3.12130   0.00009  -0.00016   0.00516   0.00500   3.12629
   D398       3.13162   0.00015   0.00004   0.00355   0.00360   3.13521
   D399      -0.01864   0.00020  -0.00001   0.00540   0.00539  -0.01325
   D400       1.35888   0.00190  -0.00089   0.04313   0.04207   1.40096
   D401      -0.89919  -0.00129  -0.00154   0.03788   0.03645  -0.86274
   D402       3.12117   0.00168  -0.00139   0.05507   0.05351  -3.10850
   D403      -2.92633  -0.00011   0.00082  -0.02376  -0.02311  -2.94944
   D404      -0.78575   0.00220   0.00132  -0.01830  -0.01700  -0.80275
   D405       1.51964  -0.00348   0.00078  -0.04084  -0.03986   1.47978
   D406       2.89340  -0.00054   0.00075  -0.02781  -0.02694   2.86646
   D407      -1.27203  -0.00068   0.00064  -0.02564  -0.02483  -1.29686
   D408       0.76144  -0.00064   0.00089  -0.03013  -0.02911   0.73233
   D409       3.10155  -0.00033   0.00029  -0.01546  -0.01517   3.08638
   D410      -1.07192  -0.00050   0.00034  -0.01820  -0.01786  -1.08979
   D411       0.97865   0.00011   0.00026  -0.01164  -0.01138   0.96727
   D412       3.13434  -0.00034   0.00012  -0.00301  -0.00300   3.13134
   D413      -1.06628  -0.00031   0.00013  -0.00286  -0.00283  -1.06911
   D414       1.05393  -0.00043   0.00011  -0.00450  -0.00449   1.04944
   D415       1.08277  -0.00016  -0.00008  -0.00130  -0.00135   1.08143
   D416      -3.11784  -0.00013  -0.00007  -0.00114  -0.00118  -3.11902
   D417      -0.99763  -0.00026  -0.00008  -0.00279  -0.00284  -1.00047
   D418      -1.06749   0.00046   0.00002  -0.00333  -0.00324  -1.07072
   D419       1.01508   0.00049   0.00004  -0.00318  -0.00307   1.01201
   D420       3.13529   0.00037   0.00002  -0.00482  -0.00473   3.13056
   D421       1.51236   0.00164  -0.00028   0.01257   0.01241   1.52477
   D422      -2.72780   0.00085  -0.00027   0.01665   0.01646  -2.71134
   D423      -0.52856   0.00052  -0.00046   0.01919   0.01875  -0.50981
   D424      -1.54743  -0.00124   0.00014  -0.01151  -0.01119  -1.55863
   D425       2.67665  -0.00092   0.00024  -0.01616  -0.01580   2.66084
   D426       0.47797  -0.00069   0.00050  -0.01905  -0.01851   0.45947
   D427       1.05769  -0.00006  -0.00002  -0.00010  -0.00012   1.05758
   D428      -3.13811  -0.00000  -0.00001   0.00052   0.00051  -3.13760
   D429      -1.04952  -0.00002   0.00001  -0.00020  -0.00019  -1.04970
   D430      -1.01667  -0.00016  -0.00015   0.00100   0.00085  -1.01582
   D431       1.07071  -0.00011  -0.00014   0.00161   0.00148   1.07219
   D432      -3.12388  -0.00012  -0.00012   0.00090   0.00078  -3.12310
   D433       3.13218   0.00015   0.00007   0.00183   0.00189   3.13407
   D434      -1.06362   0.00020   0.00008   0.00244   0.00252  -1.06110
   D435       1.02497   0.00019   0.00010   0.00173   0.00182   1.02679
   D436      -1.60502   0.00004  -0.00033   0.00750   0.00735  -1.59767
   D437      -1.50806   0.00096  -0.00011   0.01158   0.01173  -1.49633
   D438       0.30868  -0.00009   0.00023  -0.01058  -0.01038   0.29830
   D439       0.96185   0.00179  -0.00069   0.03107   0.03049   0.99234
   D440       0.80509   0.00193  -0.00054   0.03380   0.03347   0.83857
   D441      -0.29611   0.00038  -0.00025   0.01068   0.01045  -0.28566
         Item               Value     Threshold  Converged?
 Maximum Force            0.007461     0.000450     NO 
 RMS     Force            0.001016     0.000300     NO 
 Maximum Displacement     0.962995     0.001800     NO 
 RMS     Displacement     0.158361     0.001200     NO 
 Predicted change in Energy=-3.141130D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.654554    2.842725    0.425959
      2          6           0       -1.937124    1.473363    0.415932
      3          6           0       -0.933280    0.491344    0.400627
      4          6           0        0.413087    0.909590    0.411041
      5          6           0        0.711849    2.279822    0.387516
      6          6           0       -0.295658    3.225150    0.399053
      7          6           0       -1.233519   -0.944054    0.265227
      8          6           0       -0.175215   -1.894937    0.295798
      9          6           0        1.160238   -1.472456    0.653142
     10          6           0        1.504519   -0.068558    0.451979
     11          6           0       -2.525989   -1.406830   -0.011873
     12          6           0       -2.812752   -2.738210   -0.343289
     13          6           0       -1.718031   -3.623249   -0.452314
     14          6           0       -0.441685   -3.212189   -0.132134
     15          7           0        2.182903   -2.379066    0.826572
     16          6           0        3.510145   -1.944338    0.599405
     17          6           0        3.739224   -0.576077    0.309761
     18          7           0        2.730799    0.346258    0.273478
     19          6           0        4.604425   -2.826410    0.549670
     20          6           0        5.874578   -2.356804    0.268601
     21          6           0        6.140143   -0.988258    0.013332
     22          6           0        5.047298   -0.128082    0.034334
     23          6           0       -2.744568    3.859784    0.454958
     24          6           0       -4.206256   -3.185597   -0.614302
     25          6           0        7.518124   -0.501029   -0.274873
     26          6           0       -4.479660   -4.434230   -1.204985
     27          6           0       -5.778363   -4.850380   -1.473247
     28          6           0       -6.868043   -4.036771   -1.136616
     29          6           0       -6.619932   -2.798478   -0.529459
     30          6           0       -5.316643   -2.383882   -0.284501
     31          6           0       -2.498170    5.186591    0.853798
     32          6           0       -3.511273    6.138479    0.897359
     33          6           0       -4.816789    5.801601    0.519300
     34          6           0       -5.081518    4.488986    0.108569
     35          6           0       -4.065287    3.540415    0.088404
     36          6           0        8.555324   -1.382527   -0.629146
     37          6           0        9.837621   -0.925723   -0.915607
     38          6           0       10.137703    0.439645   -0.835450
     39          6           0        9.121641    1.332616   -0.470189
     40          6           0        7.838626    0.867919   -0.205905
     41          7           0       -5.851125    6.768626    0.550779
     42          7           0       -8.191616   -4.457640   -1.401269
     43          7           0       11.442856    0.909572   -1.117753
     44          6           0       -8.753531   -5.690118   -1.031877
     45          6           0      -10.098917   -5.732729   -1.475023
     46          6           0      -10.363866   -4.475989   -2.142885
     47          6           0       -9.171245   -3.713380   -2.077353
     48          6           0       -7.089887    6.624997    1.192252
     49          6           0       -7.850674    7.804488    0.993844
     50          6           0       -7.039771    8.699638    0.196351
     51          6           0       -5.815143    8.031916   -0.057129
     52          6           0       11.769241    1.937015   -2.015529
     53          6           0       13.175575    2.113364   -2.021294
     54          6           0       13.724558    1.155680   -1.085053
     55          6           0       12.631796    0.429998   -0.547929
     56          6           0      -11.483182   -3.949799   -2.799578
     57          6           0      -11.396677   -2.689066   -3.382534
     58          6           0      -10.200449   -1.954396   -3.324728
     59          6           0       -9.072409   -2.455182   -2.678121
     60          6           0       -8.190761   -6.737645   -0.297131
     61          6           0       -8.989269   -7.849221   -0.035995
     62          6           0      -10.318732   -7.916532   -0.485470
     63          6           0      -10.880037   -6.861767   -1.199005
     64          6           0       -7.249842    9.978615   -0.334281
     65          6           0       -6.252283   10.564140   -1.107992
     66          6           0       -5.051544    9.880620   -1.364482
     67          6           0       -4.817215    8.607716   -0.849003
     68          6           0       -7.567631    5.566887    1.970995
     69          6           0       -8.837717    5.694265    2.529054
     70          6           0       -9.613201    6.848722    2.326967
     71          6           0       -9.124612    7.906930    1.566660
     72          6           0       15.023564    0.870462   -0.646251
     73          6           0       15.212767   -0.116120    0.316797
     74          6           0       14.116427   -0.812940    0.852458
     75          6           0       12.814241   -0.548830    0.433342
     76          6           0       10.934081    2.680496   -2.854478
     77          6           0       11.526989    3.629236   -3.684764
     78          6           0       12.917776    3.829922   -3.689795
     79          6           0       13.746130    3.073585   -2.866156
     80          8           0        0.552936   -3.920979    2.462739
     81         15           0        1.920298   -3.788971    1.935438
     82          8           0        3.133810   -3.709505    2.949762
     83          8           0        2.402724   -4.959179    0.936495
     84          6           0        3.230839   -2.824070    4.123946
     85          6           0        4.348499   -3.366589    4.987297
     86          6           0        2.135751   -6.341950    1.326611
     87          6           0        2.608649   -7.234234    0.198303
     88          1           0       -2.971162    1.157646    0.460105
     89          1           0        1.753921    2.576800    0.381062
     90          1           0       -0.021431    4.273811    0.372559
     91          1           0       -3.331557   -0.686200   -0.029754
     92          1           0       -1.862032   -4.647503   -0.773799
     93          1           0        0.379671   -3.908012   -0.252432
     94          1           0        4.454780   -3.884412    0.710473
     95          1           0        6.682175   -3.079720    0.252803
     96          1           0        5.136183    0.928288   -0.189815
     97          1           0       -3.669381   -5.092999   -1.495126
     98          1           0       -5.955747   -5.803201   -1.960677
     99          1           0       -7.455964   -2.173583   -0.233603
    100          1           0       -5.174731   -1.431470    0.213223
    101          1           0       -1.507989    5.481969    1.182503
    102          1           0       -3.299682    7.144727    1.243689
    103          1           0       -6.083877    4.223126   -0.210940
    104          1           0       -4.307986    2.542986   -0.261932
    105          1           0        8.362912   -2.445441   -0.724969
    106          1           0       10.610129   -1.623906   -1.220437
    107          1           0        9.349287    2.389461   -0.377995
    108          1           0        7.086164    1.588036    0.095815
    109          1           0      -12.404918   -4.521593   -2.858782
    110          1           0      -12.259925   -2.268402   -3.889318
    111          1           0      -10.150621   -0.976978   -3.795495
    112          1           0       -8.148817   -1.887735   -2.646816
    113          1           0       -7.169557   -6.686650    0.064036
    114          1           0       -8.574258   -8.677829    0.530275
    115          1           0      -10.913299   -8.799195   -0.270009
    116          1           0      -11.913091   -6.910088   -1.531453
    117          1           0       -8.182501   10.504062   -0.149158
    118          1           0       -6.401881   11.557724   -1.519774
    119          1           0       -4.289890   10.351491   -1.979139
    120          1           0       -3.892507    8.081126   -1.057873
    121          1           0       -6.968570    4.678773    2.140233
    122          1           0       -9.232964    4.884886    3.135889
    123          1           0      -10.601619    6.914843    2.771701
    124          1           0       -9.720556    8.804101    1.424732
    125          1           0       15.871859    1.417517   -1.047822
    126          1           0       16.215976   -0.349362    0.660663
    127          1           0       14.284910   -1.571414    1.611355
    128          1           0       11.971222   -1.082316    0.858423
    129          1           0        9.861066    2.523141   -2.862524
    130          1           0       10.899336    4.222962   -4.342857
    131          1           0       13.348399    4.581438   -4.344658
    132          1           0       14.822259    3.221270   -2.882673
    133          1           0        3.426719   -1.817961    3.749660
    134          1           0        2.264035   -2.813287    4.629133
    135          1           0        4.461098   -2.728202    5.869473
    136          1           0        4.128403   -4.383347    5.325185
    137          1           0        5.298223   -3.372417    4.444713
    138          1           0        2.675499   -6.550490    2.256302
    139          1           0        1.063140   -6.445354    1.512252
    140          1           0        3.681102   -7.110765    0.023393
    141          1           0        2.420134   -8.281570    0.454747
    142          1           0        2.077056   -7.005570   -0.729695
    143         17           0        0.943104   -0.525776    3.177262
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0188656           0.0072700           0.0056344
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13505.7792086088 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.07D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    0.999996    0.001247    0.000024   -0.002442 Ang=   0.31 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.67077732     A.U. after   14 cycles
            NFock= 14  Conv=0.26D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.001456845    0.001698114   -0.000140190
      2        6          -0.000145631   -0.001257667    0.002027869
      3        6          -0.001501018   -0.000664136   -0.000687500
      4        6           0.000766647    0.001187481   -0.000584198
      5        6           0.000753454   -0.001233598    0.000633038
      6        6          -0.000890923    0.000740296   -0.001076038
      7        6           0.000088320    0.000608101   -0.000800543
      8        6          -0.000659267   -0.001550389    0.001209251
      9        6          -0.001646353    0.001478301    0.002247182
     10        6           0.000168862    0.001708441   -0.002659133
     11        6          -0.000356037    0.001116495   -0.001675170
     12        6          -0.000848893   -0.001317078   -0.000127450
     13        6          -0.000592430   -0.000502427    0.000651186
     14        6           0.000357666    0.000507347    0.000485997
     15        7           0.001595462   -0.001553447    0.003462260
     16        6           0.002473001   -0.000400311   -0.001690311
     17        6           0.002447126   -0.000226938    0.000075508
     18        7          -0.002121851   -0.000101192   -0.000452840
     19        6          -0.001758313   -0.000735550    0.000856435
     20        6           0.000648426    0.001011508    0.000570718
     21        6           0.001822122    0.000187969    0.000031234
     22        6          -0.001562370   -0.000329190   -0.000953319
     23        6           0.001907036   -0.001016062    0.000057771
     24        6           0.001219334    0.001047287    0.000271109
     25        6          -0.001539419   -0.000739776    0.000199338
     26        6           0.000046488    0.000341297   -0.000833343
     27        6          -0.000453002   -0.000391951    0.000181512
     28        6           0.000746135    0.000484040    0.000210671
     29        6          -0.000381748   -0.000247209   -0.000433372
     30        6           0.000150832   -0.000251839    0.000871385
     31        6          -0.000027373   -0.000267019    0.001280316
     32        6          -0.000502636    0.000237402   -0.000294040
     33        6           0.000754948   -0.000366393   -0.000063587
     34        6          -0.000446707    0.000211682    0.000280327
     35        6           0.000175871    0.000130067   -0.001258935
     36        6          -0.000026872   -0.000020242   -0.001008698
     37        6           0.000384797    0.000308103    0.000213928
     38        6          -0.000648447   -0.000464046    0.000148826
     39        6           0.000395347    0.000233622   -0.000311988
     40        6           0.000103324   -0.000241368    0.000935281
     41        7          -0.001158911    0.000663551    0.000020198
     42        7          -0.001258981   -0.000915616   -0.000194857
     43        7           0.001091537    0.000820171   -0.000072996
     44        6           0.000170618    0.001042274    0.000791732
     45        6          -0.000307015   -0.000989743    0.000687419
     46        6          -0.000656888    0.000283821   -0.001007543
     47        6           0.001274437   -0.000069640   -0.000479807
     48        6           0.001078288    0.000371476    0.000721707
     49        6          -0.000765839   -0.000280004    0.000975426
     50        6          -0.000319792    0.000787476   -0.000952718
     51        6           0.000364654   -0.001022828   -0.000727543
     52        6          -0.000116188   -0.001262375   -0.000482548
     53        6           0.000114018    0.000593219   -0.001104579
     54        6           0.000832764    0.000140810    0.000924806
     55        6          -0.001102598    0.000221552    0.000605697
     56        6           0.000376654    0.000050827    0.000250180
     57        6          -0.000380845    0.000000847    0.000141176
     58        6           0.000040970   -0.000251998    0.000217571
     59        6          -0.000044454    0.000126977    0.000496962
     60        6           0.000255683    0.000081908   -0.000401642
     61        6          -0.000122491    0.000201237   -0.000247172
     62        6          -0.000046532   -0.000296986   -0.000257622
     63        6           0.000230393    0.000401468   -0.000071414
     64        6           0.000271466   -0.000341892    0.000181339
     65        6          -0.000117412    0.000326010    0.000194697
     66        6          -0.000155380   -0.000159455    0.000252254
     67        6           0.000205086   -0.000007910    0.000526483
     68        6           0.000081718   -0.000199946   -0.000451665
     69        6           0.000001746    0.000234530   -0.000226579
     70        6          -0.000333761   -0.000117772   -0.000181202
     71        6           0.000424259   -0.000014476   -0.000201265
     72        6          -0.000419283   -0.000125539   -0.000157928
     73        6           0.000349133   -0.000076586   -0.000184681
     74        6          -0.000074199    0.000142188   -0.000293703
     75        6          -0.000097049   -0.000273285   -0.000441596
     76        6          -0.000229147    0.000112890    0.000448690
     77        6           0.000184048   -0.000050184    0.000267489
     78        6           0.000047349    0.000383526    0.000119967
     79        6          -0.000194237   -0.000323046    0.000264430
     80        8           0.000749340    0.000870741    0.000707636
     81       15          -0.003453994    0.001650077   -0.002339565
     82        8           0.003589771    0.000207087   -0.000212132
     83        8           0.000363162    0.000751176    0.000316167
     84        6          -0.001628685   -0.000952964   -0.001817312
     85        6          -0.000142312    0.000378213    0.000503451
     86        6           0.000216296    0.000980959    0.000093839
     87        6           0.000215837   -0.000574112   -0.000287792
     88        1          -0.000014068    0.000406271    0.000654830
     89        1          -0.000383392   -0.000050035   -0.000099294
     90        1          -0.000532139   -0.000056590   -0.000345167
     91        1           0.000321302   -0.000122404   -0.000731677
     92        1          -0.000274201   -0.000121746    0.000674183
     93        1          -0.000728940   -0.000090427    0.000120878
     94        1           0.000081747    0.000011038    0.000332019
     95        1           0.000047054    0.000399091    0.000462056
     96        1           0.000466561   -0.000154969   -0.000213351
     97        1          -0.000070734    0.000486195   -0.000349244
     98        1           0.000225033    0.000234439    0.000006178
     99        1           0.000310882    0.000132196    0.000135643
    100        1           0.000327533   -0.000164055    0.000260774
    101        1           0.000220611   -0.000500203    0.000145130
    102        1           0.000229119   -0.000179861    0.000046937
    103        1           0.000357210   -0.000036738   -0.000087193
    104        1           0.000475865    0.000251153   -0.000214957
    105        1          -0.000405157    0.000071122   -0.000282269
    106        1          -0.000266307   -0.000145955   -0.000018726
    107        1          -0.000218401   -0.000274729    0.000130774
    108        1           0.000040809   -0.000257891    0.000279494
    109        1           0.000115156    0.000004593    0.000109434
    110        1           0.000231785   -0.000054337   -0.000080859
    111        1           0.000128563   -0.000032206    0.000058802
    112        1          -0.000233151   -0.000074326   -0.000281021
    113        1          -0.000196228   -0.000235602    0.000120727
    114        1           0.000031328    0.000151719   -0.000012867
    115        1          -0.000017653    0.000206303    0.000149211
    116        1           0.000076103    0.000135567   -0.000046224
    117        1           0.000089288   -0.000110841    0.000077583
    118        1           0.000043063   -0.000226424   -0.000105844
    119        1           0.000054020   -0.000142966    0.000039687
    120        1          -0.000204139    0.000167045   -0.000215751
    121        1          -0.000341789    0.000086221    0.000210313
    122        1           0.000121239    0.000045485   -0.000050310
    123        1           0.000203764    0.000112729    0.000100812
    124        1           0.000127409   -0.000004133   -0.000083973
    125        1          -0.000137260   -0.000046282   -0.000071923
    126        1          -0.000223659    0.000083281    0.000095079
    127        1          -0.000148898    0.000005841   -0.000044601
    128        1           0.000234566    0.000146013    0.000181169
    129        1           0.000226242    0.000200813   -0.000269555
    130        1          -0.000010390   -0.000128755    0.000071040
    131        1           0.000013186   -0.000250382   -0.000058858
    132        1          -0.000063222   -0.000093939    0.000106608
    133        1          -0.000193069   -0.000231669    0.001346810
    134        1           0.000101675   -0.000002790   -0.000310520
    135        1          -0.000016685   -0.000039845   -0.000142182
    136        1           0.000126190    0.000047144   -0.000035059
    137        1          -0.000009126   -0.000233847    0.000028550
    138        1          -0.000022349   -0.000158474   -0.000112157
    139        1           0.000137216   -0.000128134    0.000116963
    140        1          -0.000152319   -0.000023553    0.000041365
    141        1          -0.000032735    0.000100261   -0.000038190
    142        1           0.000027612    0.000032313    0.000133421
    143       17           0.000861579   -0.002021101   -0.000698635
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003589771 RMS     0.000710280

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.003313625 RMS     0.000458303
 Search for a local minimum.
 Step number   9 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points    8    9
 DE= -4.02D-03 DEPred=-3.14D-03 R= 1.28D+00
 TightC=F SS=  1.41D+00  RLast= 3.80D-01 DXNew= 4.0363D+00 1.1408D+00
 Trust test= 1.28D+00 RLast= 3.80D-01 DXMaxT set to 2.40D+00
 ITU=  1  1  1  1  1  0  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00417   0.00421   0.00633   0.01120   0.01550
     Eigenvalues ---    0.01614   0.02117   0.02465   0.02584   0.02593
     Eigenvalues ---    0.02606   0.02645   0.02688   0.02695   0.02701
     Eigenvalues ---    0.02707   0.02707   0.02712   0.02719   0.02720
     Eigenvalues ---    0.02724   0.02725   0.02728   0.02729   0.02738
     Eigenvalues ---    0.02750   0.02769   0.02770   0.02770   0.02773
     Eigenvalues ---    0.02774   0.02777   0.02778   0.02785   0.02786
     Eigenvalues ---    0.02789   0.02789   0.02790   0.02791   0.02791
     Eigenvalues ---    0.02792   0.02792   0.02793   0.02793   0.02794
     Eigenvalues ---    0.02800   0.02800   0.02801   0.02802   0.02804
     Eigenvalues ---    0.02805   0.02806   0.02807   0.02807   0.02808
     Eigenvalues ---    0.02809   0.02810   0.02811   0.02812   0.02817
     Eigenvalues ---    0.02818   0.02818   0.02818   0.02818   0.02819
     Eigenvalues ---    0.02819   0.02820   0.02827   0.02832   0.02843
     Eigenvalues ---    0.02844   0.02845   0.02845   0.02846   0.02847
     Eigenvalues ---    0.02847   0.02854   0.02857   0.02868   0.02868
     Eigenvalues ---    0.02869   0.02869   0.02870   0.02872   0.02873
     Eigenvalues ---    0.02875   0.02876   0.02877   0.02878   0.02878
     Eigenvalues ---    0.02879   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02886   0.02886   0.02887
     Eigenvalues ---    0.02887   0.02892   0.02893   0.02893   0.02896
     Eigenvalues ---    0.02897   0.02898   0.02902   0.02902   0.02902
     Eigenvalues ---    0.02906   0.02910   0.02911   0.02931   0.02943
     Eigenvalues ---    0.02944   0.02960   0.02983   0.03024   0.03024
     Eigenvalues ---    0.03026   0.03127   0.03133   0.03133   0.03134
     Eigenvalues ---    0.03146   0.03149   0.03221   0.03423   0.03757
     Eigenvalues ---    0.04067   0.04632   0.05096   0.05394   0.05524
     Eigenvalues ---    0.05564   0.05582   0.05611   0.05728   0.05787
     Eigenvalues ---    0.07143   0.08511   0.09061   0.10530   0.11345
     Eigenvalues ---    0.11422   0.12523   0.13219   0.13646   0.15101
     Eigenvalues ---    0.15738   0.15952   0.15972   0.15984   0.15985
     Eigenvalues ---    0.15986   0.15989   0.15989   0.15991   0.15993
     Eigenvalues ---    0.15995   0.15997   0.15997   0.15997   0.15998
     Eigenvalues ---    0.15998   0.15998   0.15998   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16022   0.16038   0.16046
     Eigenvalues ---    0.16605   0.17546   0.18428   0.18894   0.20861
     Eigenvalues ---    0.20984   0.21981   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22001   0.22002
     Eigenvalues ---    0.22028   0.22404   0.22427   0.22484   0.22598
     Eigenvalues ---    0.22598   0.22600   0.22600   0.22600   0.22692
     Eigenvalues ---    0.22940   0.22957   0.22964   0.23419   0.23464
     Eigenvalues ---    0.23576   0.23635   0.23998   0.24002   0.24178
     Eigenvalues ---    0.24358   0.24470   0.24473   0.24475   0.24510
     Eigenvalues ---    0.24512   0.24584   0.24634   0.24822   0.24962
     Eigenvalues ---    0.24965   0.24965   0.24966   0.24969   0.24976
     Eigenvalues ---    0.24989   0.24996   0.24998   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25001   0.25017   0.25471   0.25744   0.27268
     Eigenvalues ---    0.28729   0.29162   0.29769   0.29792   0.30790
     Eigenvalues ---    0.32015   0.32098   0.32128   0.32140   0.32147
     Eigenvalues ---    0.32150   0.32178   0.32223   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33293   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33465   0.33544   0.33561   0.33565   0.33577
     Eigenvalues ---    0.33583   0.33586   0.33595   0.33630   0.33635
     Eigenvalues ---    0.33638   0.33641   0.33644   0.33662   0.33704
     Eigenvalues ---    0.33719   0.33727   0.33819   0.33829   0.33840
     Eigenvalues ---    0.33856   0.33876   0.33897   0.33904   0.33929
     Eigenvalues ---    0.33941   0.33947   0.33955   0.33959   0.34472
     Eigenvalues ---    0.34792   0.34913   0.35023   0.38956   0.41548
     Eigenvalues ---    0.42791   0.43827   0.44429   0.44432   0.44438
     Eigenvalues ---    0.44473   0.46173   0.47864   0.48834   0.48966
     Eigenvalues ---    0.48975   0.49227   0.49428   0.49634   0.49731
     Eigenvalues ---    0.49739   0.49789   0.50002   0.50030   0.50095
     Eigenvalues ---    0.50176   0.50348   0.50395   0.50401   0.50607
     Eigenvalues ---    0.50610   0.50614   0.51010   0.51702   0.52118
     Eigenvalues ---    0.52303   0.52535   0.52846   0.53230   0.53979
     Eigenvalues ---    0.54090   0.54113   0.54200   0.54202   0.54206
     Eigenvalues ---    0.54368   0.54548   0.55110   0.55209   0.55315
     Eigenvalues ---    0.55345   0.55358   0.55363   0.55387   0.55412
     Eigenvalues ---    0.55472   0.55517   0.55555   0.55587   0.55702
     Eigenvalues ---    0.55707   0.55717   0.55767   0.55938   0.55946
     Eigenvalues ---    0.55995   0.56146   0.56151   0.56153   0.56250
     Eigenvalues ---    0.56269   0.56308   0.56364   0.56658   0.56662
     Eigenvalues ---    0.56664   0.56670   0.56672   0.56682   0.56843
     Eigenvalues ---    0.56902   0.56916   0.57009   0.57170   0.57174
     Eigenvalues ---    0.57184   0.57191   0.57195   0.57212   0.57709
     Eigenvalues ---    0.61229   0.62529   0.66058   0.66065   0.67641
     Eigenvalues ---    0.67653   0.67656   0.69316   0.70039   0.70092
     Eigenvalues ---    0.73228   0.76782   0.80040
 RFO step:  Lambda=-4.24151527D-03 EMin= 4.17112252D-03
 Quartic linear search produced a step of  0.92851.
 Iteration  1 RMS(Cart)=  0.22113952 RMS(Int)=  0.00308679
 Iteration  2 RMS(Cart)=  0.01475916 RMS(Int)=  0.00021417
 Iteration  3 RMS(Cart)=  0.00004433 RMS(Int)=  0.00021390
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00021390
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64231   0.00010   0.00067  -0.00003   0.00070   2.64300
    R2        2.66818  -0.00093   0.00107  -0.00317  -0.00197   2.66620
    R3        2.81777  -0.00313  -0.00791  -0.00711  -0.01503   2.80275
    R4        2.65390  -0.00044  -0.00260  -0.00050  -0.00316   2.65074
    R5        2.04480  -0.00023   0.00343  -0.00105   0.00238   2.04718
    R6        2.66427   0.00088   0.00257   0.00207   0.00444   2.66871
    R7        2.78300  -0.00069  -0.00642   0.00008  -0.00660   2.77640
    R8        2.65057  -0.00048  -0.00199  -0.00094  -0.00299   2.64758
    R9        2.77067   0.00011  -0.00122   0.00205   0.00097   2.77164
   R10        2.61087   0.00071   0.00315   0.00162   0.00483   2.61570
   R11        2.04767  -0.00035   0.00018  -0.00098  -0.00080   2.04688
   R12        2.04893  -0.00004   0.00122   0.00037   0.00159   2.05052
   R13        2.68921   0.00065   0.00076  -0.00034   0.00020   2.68940
   R14        2.64658  -0.00038  -0.00139  -0.00022  -0.00168   2.64490
   R15        2.73170   0.00149   0.00996   0.00170   0.01182   2.74352
   R16        2.66531  -0.00025   0.00151  -0.00190  -0.00040   2.66491
   R17        2.75792   0.00137   0.00962   0.00366   0.01365   2.77156
   R18        2.60334   0.00256   0.00438   0.00256   0.00720   2.61054
   R19        5.11084  -0.00061  -0.01558  -0.06243  -0.07753   5.03331
   R20        2.46947  -0.00050  -0.00009  -0.00151  -0.00161   2.46786
   R21        2.64875  -0.00034  -0.00014  -0.00047  -0.00060   2.64815
   R22        2.04280  -0.00033   0.00268  -0.00148   0.00121   2.04400
   R23        2.66819  -0.00077   0.00018  -0.00225  -0.00198   2.66622
   R24        2.81274  -0.00229  -0.00460  -0.00432  -0.00891   2.80383
   R25        2.60518   0.00030   0.00270   0.00084   0.00361   2.60879
   R26        2.04683  -0.00017   0.00064  -0.00023   0.00041   2.04725
   R27        2.04690  -0.00065  -0.00375   0.00029  -0.00346   2.04344
   R28        2.67392   0.00013   0.00269   0.00103   0.00374   2.67766
   R29        3.42576  -0.00331  -0.00916  -0.01952  -0.02847   3.39730
   R30        6.12269  -0.00086   0.02026  -0.03051  -0.01100   6.11169
   R31        2.67815  -0.00005  -0.00044  -0.00197  -0.00263   2.67552
   R32        2.65772  -0.00107  -0.00133  -0.00339  -0.00472   2.65300
   R33        2.58343   0.00212   0.00322   0.00661   0.00962   2.59304
   R34        2.66419  -0.00109  -0.00208  -0.00250  -0.00461   2.65958
   R35        2.61358   0.00058   0.00206   0.00164   0.00373   2.61731
   R36        2.04197   0.00003  -0.00013   0.00127   0.00114   2.04311
   R37        2.67822  -0.00086  -0.00137  -0.00265  -0.00400   2.67422
   R38        2.04848  -0.00013   0.00053   0.00001   0.00054   2.04902
   R39        2.62846   0.00018   0.00251   0.00099   0.00349   2.63194
   R40        2.81517  -0.00231  -0.00583  -0.00469  -0.01052   2.80466
   R41        2.04760  -0.00022   0.00081  -0.00052   0.00029   2.04788
   R42        2.65922  -0.00053   0.00009  -0.00144  -0.00135   2.65786
   R43        2.65952  -0.00053   0.00022  -0.00133  -0.00111   2.65841
   R44        2.66092  -0.00034   0.00003  -0.00092  -0.00090   2.66002
   R45        2.66208  -0.00051   0.00052  -0.00136  -0.00083   2.66125
   R46        2.65796  -0.00029   0.00071  -0.00082  -0.00012   2.65784
   R47        2.66009  -0.00056   0.00052  -0.00137  -0.00085   2.65923
   R48        2.62650  -0.00007   0.00105   0.00001   0.00107   2.62756
   R49        2.04816  -0.00013   0.00036  -0.00006   0.00030   2.04846
   R50        2.64743  -0.00011   0.00180  -0.00142   0.00037   2.64779
   R51        2.05009  -0.00018  -0.00186   0.00109  -0.00077   2.04931
   R52        2.64802  -0.00005   0.00198  -0.00130   0.00068   2.64870
   R53        2.67182   0.00041   0.00202   0.00137   0.00339   2.67521
   R54        2.62560  -0.00002   0.00105   0.00006   0.00111   2.62671
   R55        2.05013  -0.00021  -0.00185   0.00094  -0.00091   2.04922
   R56        2.04838  -0.00006   0.00049   0.00026   0.00075   2.04913
   R57        2.62826  -0.00005   0.00094  -0.00001   0.00093   2.62919
   R58        2.04907  -0.00004   0.00065   0.00044   0.00110   2.05017
   R59        2.64615  -0.00005   0.00236  -0.00125   0.00110   2.64725
   R60        2.05037  -0.00017  -0.00196   0.00112  -0.00084   2.04953
   R61        2.64679   0.00005   0.00229  -0.00093   0.00136   2.64815
   R62        2.67647   0.00037   0.00164   0.00133   0.00298   2.67945
   R63        2.62728   0.00001   0.00088   0.00012   0.00101   2.62828
   R64        2.05058  -0.00024  -0.00175   0.00080  -0.00095   2.04963
   R65        2.04972  -0.00011   0.00102  -0.00006   0.00096   2.05068
   R66        2.62870  -0.00013   0.00072  -0.00017   0.00054   2.62924
   R67        2.04928  -0.00008   0.00035   0.00023   0.00058   2.04986
   R68        2.64609  -0.00009   0.00201  -0.00136   0.00065   2.64674
   R69        2.05029  -0.00017  -0.00190   0.00111  -0.00079   2.04950
   R70        2.64777  -0.00005   0.00200  -0.00123   0.00077   2.64854
   R71        2.67511   0.00036   0.00168   0.00131   0.00300   2.67811
   R72        2.62659  -0.00002   0.00087   0.00009   0.00096   2.62755
   R73        2.05037  -0.00023  -0.00178   0.00082  -0.00096   2.04940
   R74        2.04911  -0.00006   0.00057   0.00020   0.00076   2.04988
   R75        2.65010  -0.00042  -0.00472  -0.00294  -0.00765   2.64245
   R76        2.65017  -0.00062  -0.00445  -0.00357  -0.00801   2.64216
   R77        2.65316  -0.00071  -0.00477  -0.00368  -0.00845   2.64472
   R78        2.65282  -0.00058  -0.00468  -0.00328  -0.00795   2.64487
   R79        2.65112  -0.00045  -0.00470  -0.00305  -0.00774   2.64338
   R80        2.65119  -0.00065  -0.00452  -0.00362  -0.00813   2.64306
   R81        2.67799   0.00015   0.00350   0.00009   0.00360   2.68159
   R82        2.64148  -0.00024   0.00212  -0.00118   0.00096   2.64244
   R83        2.73562   0.00020   0.00088   0.00033   0.00120   2.73682
   R84        2.64633  -0.00066   0.00125  -0.00129  -0.00003   2.64630
   R85        2.67796   0.00016   0.00335   0.00021   0.00357   2.68153
   R86        2.64629  -0.00064   0.00130  -0.00123   0.00007   2.64635
   R87        2.64140  -0.00019   0.00201  -0.00100   0.00102   2.64242
   R88        2.67872   0.00017   0.00320   0.00029   0.00350   2.68222
   R89        2.64175  -0.00017   0.00190  -0.00092   0.00099   2.64274
   R90        2.73512   0.00023   0.00105   0.00034   0.00139   2.73650
   R91        2.64665  -0.00063   0.00132  -0.00122   0.00010   2.64675
   R92        2.67903   0.00011   0.00348  -0.00004   0.00345   2.68248
   R93        2.64662  -0.00066   0.00129  -0.00131  -0.00002   2.64660
   R94        2.64188  -0.00028   0.00212  -0.00130   0.00083   2.64271
   R95        2.67842   0.00017   0.00328   0.00027   0.00357   2.68199
   R96        2.64163  -0.00018   0.00194  -0.00098   0.00097   2.64260
   R97        2.73527   0.00022   0.00099   0.00035   0.00134   2.73661
   R98        2.64653  -0.00063   0.00125  -0.00121   0.00004   2.64657
   R99        2.67865   0.00013   0.00348   0.00000   0.00349   2.68213
   R100       2.64650  -0.00065   0.00128  -0.00129  -0.00001   2.64650
   R101       2.64175  -0.00027   0.00208  -0.00127   0.00083   2.64258
   R102       2.62989  -0.00023   0.00007  -0.00041  -0.00035   2.62954
   R103       2.05281  -0.00009  -0.00040   0.00015  -0.00026   2.05256
   R104       2.65508  -0.00005   0.00172   0.00006   0.00176   2.65684
   R105       2.05188  -0.00017   0.00008  -0.00016  -0.00007   2.05181
   R106       2.63301  -0.00018  -0.00070  -0.00066  -0.00136   2.63165
   R107       2.05229  -0.00008  -0.00062   0.00033  -0.00029   2.05200
   R108       2.04928  -0.00023  -0.00117   0.00057  -0.00060   2.04869
   R109       2.63304  -0.00020  -0.00069  -0.00072  -0.00141   2.63162
   R110       2.04920  -0.00020  -0.00125   0.00077  -0.00049   2.04871
   R111       2.65507  -0.00004   0.00173   0.00010   0.00182   2.65689
   R112       2.05232  -0.00009  -0.00063   0.00032  -0.00031   2.05201
   R113       2.62986  -0.00021   0.00008  -0.00034  -0.00027   2.62959
   R114       2.05192  -0.00017   0.00008  -0.00016  -0.00008   2.05184
   R115       2.05282  -0.00009  -0.00040   0.00014  -0.00027   2.05255
   R116       2.62977  -0.00020   0.00006  -0.00030  -0.00025   2.62952
   R117       2.05296  -0.00010  -0.00042   0.00015  -0.00027   2.05269
   R118       2.65556  -0.00005   0.00169   0.00009   0.00176   2.65732
   R119       2.05203  -0.00017   0.00009  -0.00017  -0.00008   2.05195
   R120       2.63270  -0.00018  -0.00061  -0.00068  -0.00129   2.63141
   R121       2.05246  -0.00009  -0.00065   0.00032  -0.00033   2.05213
   R122       2.04929  -0.00019  -0.00134   0.00086  -0.00049   2.04881
   R123       2.63261  -0.00015  -0.00066  -0.00061  -0.00126   2.63135
   R124       2.04951  -0.00029  -0.00110   0.00033  -0.00077   2.04874
   R125       2.65571  -0.00009   0.00172  -0.00004   0.00167   2.65738
   R126       2.05239  -0.00008  -0.00062   0.00033  -0.00029   2.05210
   R127       2.62977  -0.00024   0.00012  -0.00045  -0.00034   2.62943
   R128       2.05201  -0.00017   0.00009  -0.00016  -0.00007   2.05195
   R129       2.05295  -0.00009  -0.00042   0.00015  -0.00027   2.05268
   R130       2.62978  -0.00020   0.00005  -0.00029  -0.00025   2.62953
   R131       2.05288  -0.00009  -0.00041   0.00014  -0.00027   2.05262
   R132       2.65535  -0.00005   0.00171   0.00010   0.00180   2.65715
   R133       2.05196  -0.00017   0.00009  -0.00016  -0.00007   2.05189
   R134       2.63283  -0.00018  -0.00063  -0.00068  -0.00131   2.63152
   R135       2.05241  -0.00008  -0.00064   0.00032  -0.00032   2.05210
   R136       2.04927  -0.00019  -0.00130   0.00084  -0.00046   2.04881
   R137       2.63278  -0.00017  -0.00068  -0.00063  -0.00132   2.63146
   R138       2.04945  -0.00028  -0.00109   0.00038  -0.00071   2.04874
   R139       2.65544  -0.00007   0.00174  -0.00000   0.00173   2.65717
   R140       2.05237  -0.00008  -0.00065   0.00033  -0.00032   2.05206
   R141       2.62977  -0.00023   0.00014  -0.00043  -0.00029   2.62948
   R142       2.05195  -0.00017   0.00007  -0.00015  -0.00007   2.05188
   R143       2.05289  -0.00009  -0.00041   0.00014  -0.00027   2.05262
   R144       2.78063  -0.00077   0.00477  -0.00193   0.00284   2.78347
   R145       2.99256   0.00077   0.01169  -0.00151   0.01030   3.00286
   R146       3.04710  -0.00032  -0.00297  -0.00023  -0.00320   3.04390
   R147       2.78510  -0.00061  -0.00771   0.00008  -0.00734   2.77776
   R148       2.76154  -0.00019  -0.00516   0.00083  -0.00433   2.75720
   R149       2.85897   0.00015  -0.00089  -0.00001  -0.00090   2.85806
   R150       2.06207  -0.00064   0.00065  -0.00117  -0.00025   2.06181
   R151       2.06148  -0.00017   0.00017   0.00009   0.00042   2.06190
   R152       2.06875  -0.00014  -0.00052   0.00010  -0.00042   2.06833
   R153       2.06699  -0.00004   0.00051   0.00013   0.00063   2.06762
   R154       2.06699  -0.00009   0.00042  -0.00007   0.00034   2.06733
   R155       2.86147   0.00034   0.00103   0.00131   0.00234   2.86381
   R156       2.06935  -0.00009  -0.00054   0.00028  -0.00026   2.06910
   R157       2.06633  -0.00006  -0.00060   0.00025  -0.00035   2.06599
   R158       2.06663  -0.00015   0.00016  -0.00013   0.00003   2.06666
   R159       2.06855  -0.00011   0.00021  -0.00004   0.00017   2.06872
   R160       2.06669  -0.00012   0.00011  -0.00007   0.00003   2.06672
   R161       5.40003  -0.00012  -0.02364  -0.01763  -0.04100   5.35903
   R162       5.69604   0.00001  -0.01578  -0.00484  -0.02101   5.67503
    A1        2.04836   0.00066  -0.00114   0.00397   0.00283   2.05118
    A2        2.11812  -0.00017  -0.00038  -0.00057  -0.00095   2.11717
    A3        2.11669  -0.00049   0.00152  -0.00338  -0.00186   2.11483
    A4        2.14175  -0.00032   0.00108  -0.00232  -0.00154   2.14021
    A5        2.06982  -0.00022  -0.00157  -0.00324  -0.00482   2.06501
    A6        2.07087   0.00054   0.00012   0.00510   0.00521   2.07608
    A7        2.06585   0.00004   0.00052  -0.00010   0.00048   2.06633
    A8        2.13746   0.00010   0.00150   0.00240   0.00451   2.14196
    A9        2.07660  -0.00012  -0.00174  -0.00116  -0.00373   2.07286
   A10        2.08643  -0.00012  -0.00092   0.00002  -0.00099   2.08545
   A11        2.10967  -0.00002  -0.00088  -0.00186  -0.00317   2.10650
   A12        2.08707   0.00014   0.00180   0.00180   0.00406   2.09114
   A13        2.10942   0.00008   0.00024   0.00048   0.00054   2.10996
   A14        2.06313   0.00014   0.00808   0.00054   0.00871   2.07184
   A15        2.11042  -0.00022  -0.00834  -0.00098  -0.00923   2.10119
   A16        2.11375  -0.00033  -0.00020  -0.00233  -0.00253   2.11122
   A17        2.10116  -0.00039   0.00341  -0.00492  -0.00152   2.09964
   A18        2.06818   0.00072  -0.00324   0.00724   0.00400   2.07217
   A19        2.09172   0.00065  -0.00010   0.00217   0.00134   2.09305
   A20        2.12751  -0.00087  -0.00628  -0.00085  -0.00654   2.12097
   A21        2.05982   0.00022   0.00544  -0.00113   0.00432   2.06414
   A22        2.09100  -0.00026   0.00546  -0.00115   0.00401   2.09501
   A23        2.06807  -0.00041  -0.00695   0.00465  -0.00257   2.06550
   A24        2.12058   0.00065   0.00041  -0.00378  -0.00306   2.11752
   A25        2.05443  -0.00068  -0.01711  -0.00074  -0.01875   2.03569
   A26        2.12302   0.00068   0.01267  -0.00735   0.00436   2.12738
   A27        1.83262  -0.00115  -0.00474  -0.01193  -0.01672   1.81590
   A28        2.06609  -0.00013  -0.00565   0.00045  -0.00631   2.05978
   A29        1.38052   0.00245   0.02242   0.02851   0.05203   1.43254
   A30        2.06009   0.00028   0.00307  -0.00287  -0.00044   2.05965
   A31        2.07483   0.00024  -0.00963   0.00835  -0.00124   2.07358
   A32        2.14784  -0.00051   0.00627  -0.00511   0.00167   2.14952
   A33        2.15251  -0.00015   0.00128  -0.00046   0.00047   2.15298
   A34        2.06089   0.00028   0.00139   0.00228   0.00376   2.06465
   A35        2.06785  -0.00014  -0.00319  -0.00215  -0.00524   2.06261
   A36        2.04320   0.00031  -0.00242   0.00305   0.00050   2.04370
   A37        2.11776  -0.00044   0.00080  -0.00333  -0.00247   2.11529
   A38        2.12164   0.00012   0.00152   0.00038   0.00196   2.12361
   A39        2.10945  -0.00003   0.00029  -0.00064  -0.00042   2.10903
   A40        2.10899  -0.00019   0.00321  -0.00192   0.00131   2.11030
   A41        2.06460   0.00022  -0.00349   0.00248  -0.00099   2.06362
   A42        2.12217   0.00010   0.00422  -0.00130   0.00268   2.12485
   A43        2.08334   0.00029   0.00883   0.00102   0.00987   2.09320
   A44        2.07682  -0.00038  -0.01258   0.00056  -0.01200   2.06482
   A45        2.06452   0.00019  -0.00179   0.00633   0.00496   2.06948
   A46        2.07292   0.00080   0.00706  -0.00429   0.00220   2.07512
   A47        2.06351  -0.00074  -0.00831   0.00146  -0.00691   2.05661
   A48        1.87514   0.00146   0.02758   0.01966   0.04738   1.92252
   A49        1.51642  -0.00054  -0.01381   0.00167  -0.01196   1.50446
   A50        2.07265  -0.00017   0.00585  -0.00391   0.00195   2.07460
   A51        2.14458  -0.00064  -0.00260  -0.00212  -0.00473   2.13984
   A52        2.06295   0.00082  -0.00342   0.00686   0.00340   2.06635
   A53        2.13833   0.00014  -0.00113  -0.00036  -0.00173   2.13660
   A54        2.09058  -0.00032   0.00228  -0.00310  -0.00080   2.08978
   A55        2.05424   0.00017  -0.00117   0.00344   0.00244   2.05668
   A56        2.06509   0.00054  -0.00353   0.00590   0.00228   2.06737
   A57        2.10457  -0.00053   0.00405  -0.00392   0.00007   2.10464
   A58        2.09563   0.00032   0.00291   0.00070   0.00355   2.09919
   A59        2.08275   0.00022  -0.00675   0.00341  -0.00340   2.07935
   A60        2.13716  -0.00025  -0.00249  -0.00134  -0.00388   2.13327
   A61        2.04960   0.00044  -0.00112   0.00398   0.00277   2.05237
   A62        2.09641  -0.00019   0.00361  -0.00268   0.00085   2.09727
   A63        2.03446   0.00047  -0.00015   0.00342   0.00326   2.03771
   A64        2.12233  -0.00020   0.00157  -0.00163  -0.00005   2.12227
   A65        2.12636  -0.00027  -0.00141  -0.00177  -0.00318   2.12319
   A66        2.13581  -0.00020   0.00006  -0.00145  -0.00147   2.13434
   A67        2.01122   0.00055   0.00344   0.00476   0.00823   2.01945
   A68        2.13571  -0.00036  -0.00354  -0.00338  -0.00688   2.12883
   A69        2.11839  -0.00046   0.00040  -0.00344  -0.00305   2.11534
   A70        2.12488  -0.00008  -0.00038  -0.00110  -0.00149   2.12339
   A71        2.03992   0.00054  -0.00001   0.00454   0.00454   2.04446
   A72        2.12315   0.00004   0.00036   0.00058   0.00093   2.12409
   A73        2.12265  -0.00035   0.00133  -0.00362  -0.00230   2.12035
   A74        2.03736   0.00031  -0.00169   0.00304   0.00137   2.03873
   A75        2.12452  -0.00027  -0.00037  -0.00228  -0.00266   2.12186
   A76        2.11670  -0.00002   0.00193  -0.00069   0.00123   2.11793
   A77        2.04196   0.00029  -0.00156   0.00298   0.00142   2.04339
   A78        2.12692  -0.00008  -0.00030  -0.00141  -0.00173   2.12519
   A79        2.10147  -0.00019   0.00234  -0.00192   0.00039   2.10186
   A80        2.05432   0.00027  -0.00215   0.00307   0.00088   2.05520
   A81        2.10194  -0.00014   0.00547  -0.00196   0.00352   2.10546
   A82        2.09725  -0.00019  -0.00789   0.00096  -0.00694   2.09031
   A83        2.08386   0.00033   0.00250   0.00098   0.00347   2.08734
   A84        2.07099   0.00013  -0.00847   0.00370  -0.00476   2.06623
   A85        2.10631  -0.00015   0.00454  -0.00236   0.00217   2.10849
   A86        2.10587   0.00002   0.00394  -0.00134   0.00259   2.10846
   A87        2.10153  -0.00011   0.00539  -0.00186   0.00355   2.10508
   A88        2.08371   0.00035   0.00250   0.00115   0.00365   2.08736
   A89        2.09774  -0.00024  -0.00784   0.00069  -0.00716   2.09058
   A90        2.12736  -0.00011  -0.00038  -0.00147  -0.00188   2.12548
   A91        2.09943  -0.00025   0.00210  -0.00303  -0.00098   2.09845
   A92        2.05550   0.00035  -0.00200   0.00418   0.00213   2.05763
   A93        2.12544  -0.00017  -0.00125  -0.00212  -0.00339   2.12206
   A94        2.09747  -0.00042   0.00117  -0.00449  -0.00334   2.09413
   A95        2.05924   0.00058  -0.00010   0.00642   0.00629   2.06553
   A96        2.10136  -0.00016   0.00517  -0.00216   0.00301   2.10436
   A97        2.09748  -0.00015  -0.00740   0.00145  -0.00596   2.09153
   A98        2.08416   0.00031   0.00232   0.00071   0.00302   2.08717
   A99        2.07242   0.00016  -0.00783   0.00423  -0.00359   2.06883
   A100       2.10669  -0.00025   0.00481  -0.00331   0.00150   2.10819
   A101       2.10407   0.00009   0.00302  -0.00092   0.00210   2.10616
   A102       2.10077  -0.00014   0.00523  -0.00199   0.00325   2.10402
   A103       2.08352   0.00033   0.00206   0.00085   0.00290   2.08642
   A104       2.09875  -0.00019  -0.00723   0.00111  -0.00613   2.09261
   A105       2.12627  -0.00024  -0.00130  -0.00246  -0.00378   2.12249
   A106       2.09761  -0.00033   0.00084  -0.00395  -0.00315   2.09446
   A107       2.05843   0.00057   0.00018   0.00615   0.00629   2.06472
   A108       2.12449  -0.00005  -0.00024  -0.00125  -0.00151   2.12298
   A109       2.10099  -0.00030   0.00090  -0.00317  -0.00229   2.09870
   A110       2.05696   0.00035  -0.00078   0.00421   0.00341   2.06036
   A111       2.10130  -0.00014   0.00510  -0.00201   0.00309   2.10440
   A112       2.09773  -0.00017  -0.00749   0.00121  -0.00629   2.09144
   A113       2.08400   0.00031   0.00247   0.00079   0.00326   2.08726
   A114       2.07254   0.00010  -0.00812   0.00362  -0.00449   2.06805
   A115       2.10582  -0.00020   0.00490  -0.00288   0.00202   2.10783
   A116       2.10483   0.00010   0.00321  -0.00073   0.00248   2.10731
   A117       2.10120  -0.00008   0.00543  -0.00173   0.00370   2.10490
   A118       2.08378   0.00032   0.00205   0.00099   0.00302   2.08680
   A119       2.09806  -0.00024  -0.00741   0.00073  -0.00669   2.09137
   A120       2.12468  -0.00011  -0.00060  -0.00156  -0.00218   2.12250
   A121       2.09610  -0.00018   0.00181  -0.00221  -0.00043   2.09567
   A122       2.06171   0.00028  -0.00140   0.00355   0.00212   2.06383
   A123       2.19609   0.00007  -0.00188   0.00066  -0.00126   2.19483
   A124       2.19773  -0.00032   0.00071  -0.00231  -0.00163   2.19610
   A125       1.88936   0.00025   0.00117   0.00166   0.00289   1.89225
   A126       2.19781  -0.00026  -0.00021  -0.00164  -0.00188   2.19593
   A127       2.19642  -0.00004  -0.00102  -0.00020  -0.00124   2.19518
   A128       1.88896   0.00030   0.00123   0.00184   0.00312   1.89208
   A129       2.19596   0.00006  -0.00155   0.00052  -0.00105   2.19490
   A130       2.19797  -0.00033   0.00031  -0.00221  -0.00193   2.19604
   A131       1.88926   0.00026   0.00124   0.00169   0.00299   1.89224
   A132       1.90084   0.00004   0.00106  -0.00018   0.00083   1.90167
   A133       2.25883   0.00019   0.00595  -0.00104   0.00480   2.26363
   A134       2.12241  -0.00022  -0.00644   0.00161  -0.00492   2.11749
   A135       1.86703  -0.00017  -0.00169  -0.00067  -0.00234   1.86469
   A136       2.08537   0.00029   0.00363  -0.00060   0.00302   2.08839
   A137       2.33059  -0.00012  -0.00194   0.00132  -0.00064   2.32995
   A138       1.86692  -0.00017  -0.00168  -0.00058  -0.00223   1.86469
   A139       2.33069  -0.00013  -0.00181   0.00108  -0.00075   2.32994
   A140       2.08537   0.00030   0.00348  -0.00046   0.00302   2.08839
   A141       1.90102  -0.00001   0.00109  -0.00041   0.00063   1.90165
   A142       2.25866   0.00028   0.00561  -0.00045   0.00504   2.26370
   A143       2.12238  -0.00027  -0.00611   0.00127  -0.00493   2.11745
   A144       1.90164  -0.00002   0.00124  -0.00044   0.00075   1.90239
   A145       2.25778   0.00035   0.00519  -0.00012   0.00494   2.26272
   A146       2.12275  -0.00032  -0.00584   0.00095  -0.00499   2.11777
   A147       1.86611  -0.00014  -0.00175  -0.00052  -0.00224   1.86387
   A148       2.08495   0.00032   0.00334  -0.00032   0.00302   2.08797
   A149       2.33192  -0.00017  -0.00159   0.00089  -0.00072   2.33119
   A150       1.86627  -0.00015  -0.00161  -0.00070  -0.00229   1.86398
   A151       2.33162  -0.00013  -0.00200   0.00139  -0.00063   2.33099
   A152       2.08512   0.00028   0.00360  -0.00064   0.00296   2.08808
   A153       1.90139   0.00006   0.00096  -0.00001   0.00090   1.90229
   A154       2.25862   0.00014   0.00598  -0.00136   0.00450   2.26312
   A155       2.12222  -0.00020  -0.00637   0.00173  -0.00473   2.11749
   A156       1.90135  -0.00002   0.00115  -0.00040   0.00069   1.90204
   A157       2.25826   0.00031   0.00538  -0.00031   0.00494   2.26320
   A158       2.12255  -0.00029  -0.00592   0.00111  -0.00492   2.11763
   A159       1.86646  -0.00016  -0.00171  -0.00056  -0.00225   1.86421
   A160       2.08517   0.00031   0.00339  -0.00041   0.00298   2.08815
   A161       2.33136  -0.00015  -0.00168   0.00102  -0.00069   2.33067
   A162       1.86652  -0.00015  -0.00161  -0.00069  -0.00228   1.86424
   A163       2.33120  -0.00012  -0.00198   0.00141  -0.00058   2.33062
   A164       2.08527   0.00028   0.00358  -0.00066   0.00291   2.08818
   A165       1.90119   0.00006   0.00094  -0.00004   0.00086   1.90204
   A166       2.25886   0.00014   0.00596  -0.00136   0.00449   2.26335
   A167       2.12214  -0.00020  -0.00634   0.00176  -0.00467   2.11747
   A168       2.07962   0.00001  -0.00028   0.00004  -0.00026   2.07936
   A169       2.10133  -0.00013   0.00280  -0.00104   0.00176   2.10309
   A170       2.10221   0.00012  -0.00250   0.00101  -0.00149   2.10073
   A171       2.10526  -0.00019  -0.00082  -0.00023  -0.00108   2.10419
   A172       2.09100   0.00012  -0.00042   0.00045   0.00004   2.09104
   A173       2.08692   0.00008   0.00124  -0.00022   0.00103   2.08795
   A174       2.11818   0.00024  -0.00025   0.00080   0.00053   2.11871
   A175       2.08499   0.00000  -0.00153   0.00029  -0.00124   2.08375
   A176       2.08001  -0.00024   0.00177  -0.00109   0.00069   2.08070
   A177       2.05527  -0.00009   0.00423  -0.00130   0.00294   2.05822
   A178       2.11628   0.00029   0.00237   0.00069   0.00305   2.11933
   A179       2.11163  -0.00021  -0.00659   0.00061  -0.00599   2.10564
   A180       2.05516  -0.00010   0.00447  -0.00147   0.00301   2.05816
   A181       2.11645   0.00028   0.00240   0.00055   0.00295   2.11940
   A182       2.11156  -0.00018  -0.00686   0.00092  -0.00594   2.10561
   A183       2.11828   0.00023  -0.00029   0.00076   0.00046   2.11873
   A184       2.07990  -0.00025   0.00189  -0.00115   0.00074   2.08065
   A185       2.08500   0.00002  -0.00160   0.00039  -0.00121   2.08378
   A186       2.10524  -0.00019  -0.00088  -0.00013  -0.00104   2.10420
   A187       2.08701   0.00007   0.00126  -0.00027   0.00100   2.08802
   A188       2.09092   0.00012  -0.00038   0.00040   0.00003   2.09095
   A189       2.07961  -0.00001  -0.00023  -0.00004  -0.00028   2.07933
   A190       2.10133  -0.00013   0.00282  -0.00104   0.00179   2.10311
   A191       2.10222   0.00013  -0.00258   0.00109  -0.00149   2.10073
   A192       2.07986  -0.00001  -0.00026  -0.00006  -0.00034   2.07952
   A193       2.10122  -0.00013   0.00292  -0.00102   0.00190   2.10312
   A194       2.10208   0.00013  -0.00264   0.00110  -0.00154   2.10054
   A195       2.10520  -0.00019  -0.00084  -0.00012  -0.00098   2.10422
   A196       2.09101   0.00012  -0.00040   0.00038  -0.00001   2.09100
   A197       2.08697   0.00008   0.00123  -0.00026   0.00098   2.08795
   A198       2.11835   0.00023  -0.00028   0.00074   0.00044   2.11879
   A199       2.08475   0.00002  -0.00156   0.00042  -0.00114   2.08361
   A200       2.08009  -0.00025   0.00184  -0.00115   0.00069   2.08078
   A201       2.05537  -0.00011   0.00438  -0.00153   0.00287   2.05824
   A202       2.11504   0.00029   0.00267   0.00058   0.00324   2.11828
   A203       2.11277  -0.00019  -0.00704   0.00095  -0.00610   2.10667
   A204       2.05500  -0.00006   0.00412  -0.00110   0.00304   2.05804
   A205       2.11527   0.00029   0.00241   0.00066   0.00306   2.11833
   A206       2.11290  -0.00023  -0.00651   0.00044  -0.00609   2.10681
   A207       2.11833   0.00024  -0.00032   0.00079   0.00045   2.11879
   A208       2.07998  -0.00024   0.00173  -0.00100   0.00073   2.08071
   A209       2.08486  -0.00000  -0.00141   0.00021  -0.00120   2.08366
   A210       2.10539  -0.00020  -0.00073  -0.00031  -0.00106   2.10433
   A211       2.08680   0.00008   0.00121  -0.00016   0.00107   2.08787
   A212       2.09098   0.00012  -0.00048   0.00046  -0.00001   2.09098
   A213       2.07966   0.00002  -0.00032   0.00010  -0.00023   2.07943
   A214       2.10127  -0.00013   0.00274  -0.00097   0.00178   2.10306
   A215       2.10222   0.00011  -0.00241   0.00088  -0.00153   2.10069
   A216       2.07982  -0.00001  -0.00025  -0.00007  -0.00034   2.07948
   A217       2.10125  -0.00013   0.00282  -0.00102   0.00181   2.10306
   A218       2.10210   0.00013  -0.00256   0.00110  -0.00146   2.10064
   A219       2.10517  -0.00019  -0.00083  -0.00010  -0.00096   2.10421
   A220       2.09099   0.00012  -0.00040   0.00039  -0.00000   2.09099
   A221       2.08703   0.00007   0.00123  -0.00029   0.00095   2.08798
   A222       2.11830   0.00023  -0.00030   0.00074   0.00043   2.11873
   A223       2.08478   0.00002  -0.00159   0.00040  -0.00119   2.08359
   A224       2.08010  -0.00025   0.00188  -0.00114   0.00075   2.08085
   A225       2.05541  -0.00011   0.00438  -0.00155   0.00284   2.05826
   A226       2.11548   0.00029   0.00256   0.00055   0.00310   2.11859
   A227       2.11228  -0.00018  -0.00692   0.00099  -0.00594   2.10634
   A228       2.05510  -0.00007   0.00417  -0.00118   0.00300   2.05810
   A229       2.11576   0.00029   0.00236   0.00066   0.00301   2.11877
   A230       2.11232  -0.00022  -0.00652   0.00052  -0.00600   2.10631
   A231       2.11834   0.00024  -0.00032   0.00078   0.00044   2.11879
   A232       2.07995  -0.00024   0.00189  -0.00105   0.00084   2.08079
   A233       2.08488   0.00000  -0.00157   0.00027  -0.00129   2.08359
   A234       2.10529  -0.00020  -0.00074  -0.00026  -0.00103   2.10426
   A235       2.08692   0.00008   0.00119  -0.00019   0.00102   2.08794
   A236       2.09098   0.00012  -0.00045   0.00045   0.00001   2.09098
   A237       2.07966   0.00001  -0.00032   0.00007  -0.00026   2.07940
   A238       2.10128  -0.00013   0.00285  -0.00098   0.00188   2.10316
   A239       2.10222   0.00011  -0.00252   0.00091  -0.00160   2.10062
   A240       2.00819   0.00052   0.00062   0.00070   0.00159   2.00979
   A241       1.81497   0.00127   0.01415  -0.00475   0.00786   1.82283
   A242       1.71342  -0.00155   0.00826  -0.00458   0.00426   1.71768
   A243       2.07952  -0.00072  -0.01133   0.00237  -0.00863   2.07090
   A244       2.02075   0.00127  -0.00118   0.00760   0.00611   2.02686
   A245       1.77620  -0.00102  -0.00655  -0.00359  -0.00980   1.76640
   A246       2.20297  -0.00242  -0.02524  -0.02698  -0.05324   2.14972
   A247       2.05632   0.00015  -0.00790   0.00071  -0.00719   2.04913
   A248       1.86277  -0.00031   0.00464   0.00301   0.00813   1.87090
   A249       1.86761   0.00029  -0.00436   0.00548   0.00017   1.86778
   A250       1.89288   0.00055  -0.00306   0.00071  -0.00202   1.89086
   A251       1.97551  -0.00014   0.00151  -0.00194  -0.00001   1.97550
   A252       1.97577  -0.00021   0.00086  -0.00125  -0.00083   1.97494
   A253       1.88475  -0.00012  -0.00009  -0.00530  -0.00532   1.87943
   A254       1.90364  -0.00007   0.00194   0.00033   0.00227   1.90591
   A255       1.94010   0.00011   0.00031   0.00007   0.00038   1.94048
   A256       1.93936   0.00009   0.00121   0.00013   0.00134   1.94070
   A257       1.89002   0.00001  -0.00103   0.00028  -0.00075   1.88927
   A258       1.88971   0.00004  -0.00048   0.00057   0.00008   1.88979
   A259       1.89969  -0.00017  -0.00204  -0.00136  -0.00339   1.89630
   A260       1.87718   0.00042   0.00015   0.00369   0.00384   1.88102
   A261       1.89315  -0.00005   0.00027  -0.00004   0.00024   1.89339
   A262       1.89021  -0.00004   0.00373  -0.00119   0.00254   1.89276
   A263       1.94600  -0.00011  -0.00229  -0.00036  -0.00266   1.94334
   A264       1.95749  -0.00022  -0.00479  -0.00150  -0.00631   1.95119
   A265       1.89796   0.00000   0.00322  -0.00055   0.00265   1.90060
   A266       1.93789  -0.00005   0.00186  -0.00043   0.00143   1.93932
   A267       1.91289   0.00004   0.00120   0.00055   0.00175   1.91464
   A268       1.93614  -0.00009   0.00014  -0.00104  -0.00090   1.93524
   A269       1.89060   0.00003  -0.00109   0.00038  -0.00071   1.88989
   A270       1.89373   0.00005  -0.00101   0.00038  -0.00063   1.89310
   A271       1.89139   0.00002  -0.00121   0.00019  -0.00102   1.89037
   A272       1.90670   0.00024   0.00628   0.00642   0.01222   1.91892
   A273       1.74449  -0.00001   0.00173  -0.00131   0.00030   1.74480
   A274       1.52967   0.00078   0.00789   0.01196   0.01921   1.54888
   A275       1.72007   0.00039  -0.00169  -0.00663  -0.00963   1.71044
   A276       1.10861   0.00027   0.01077   0.00942   0.01976   1.12836
   A277       1.31571  -0.00025  -0.00070  -0.00632  -0.00846   1.30725
   A278       0.60844  -0.00015   0.00221  -0.00031   0.00200   0.61044
    D1        0.01682  -0.00011  -0.00080  -0.00456  -0.00537   0.01145
    D2        3.11634  -0.00029  -0.01284  -0.01729  -0.03006   3.08628
    D3       -3.13153  -0.00005  -0.00100  -0.00014  -0.00116  -3.13269
    D4       -0.03202  -0.00023  -0.01304  -0.01288  -0.02585  -0.05787
    D5       -0.01969  -0.00008  -0.00711  -0.00532  -0.01241  -0.03210
    D6        3.10650  -0.00012  -0.01011  -0.00629  -0.01639   3.09010
    D7        3.12866  -0.00014  -0.00690  -0.00974  -0.01662   3.11204
    D8       -0.02834  -0.00018  -0.00990  -0.01071  -0.02060  -0.04894
    D9        2.81223  -0.00185  -0.07086  -0.10609  -0.17695   2.63528
   D10       -0.32747  -0.00190  -0.07072  -0.10779  -0.17850  -0.50597
   D11       -0.33639  -0.00179  -0.07107  -0.10148  -0.17256  -0.50896
   D12        2.80710  -0.00183  -0.07094  -0.10318  -0.17412   2.63297
   D13        0.01276   0.00023   0.01289   0.01304   0.02592   0.03868
   D14       -3.04089   0.00001   0.00930  -0.00203   0.00727  -3.03362
   D15       -3.08674   0.00043   0.02496   0.02597   0.05100  -3.03574
   D16        0.14280   0.00020   0.02137   0.01090   0.03235   0.17515
   D17       -0.03984  -0.00016  -0.01719  -0.01168  -0.02884  -0.06868
   D18        3.09710  -0.00045  -0.01935  -0.02037  -0.03979   3.05730
   D19        3.01694   0.00006  -0.01356   0.00304  -0.01052   3.00642
   D20       -0.12930  -0.00023  -0.01572  -0.00565  -0.02148  -0.15078
   D21       -3.10945   0.00082   0.03690   0.05170   0.08847  -3.02098
   D22        0.13171   0.00088   0.04879   0.04943   0.09826   0.22997
   D23        0.12060   0.00059   0.03318   0.03648   0.06955   0.19015
   D24       -2.92142   0.00065   0.04507   0.03422   0.07933  -2.84208
   D25        0.03775  -0.00001   0.00983   0.00232   0.01207   0.04983
   D26       -3.12583   0.00004   0.00854   0.00433   0.01279  -3.11304
   D27       -3.09925   0.00027   0.01197   0.01091   0.02295  -3.07629
   D28        0.02035   0.00032   0.01068   0.01292   0.02367   0.04402
   D29       -0.13373  -0.00037  -0.01906  -0.02428  -0.04329  -0.17703
   D30        2.97737   0.00008  -0.03283  -0.01115  -0.04366   2.93372
   D31        3.00321  -0.00066  -0.02123  -0.03298  -0.05430   2.94891
   D32       -0.16887  -0.00021  -0.03500  -0.01985  -0.05466  -0.22354
   D33       -0.00731   0.00013   0.00262   0.00639   0.00900   0.00169
   D34       -3.13378   0.00018   0.00552   0.00744   0.01297  -3.12081
   D35       -3.12632   0.00007   0.00374   0.00431   0.00804  -3.11827
   D36        0.03040   0.00012   0.00664   0.00536   0.01201   0.04241
   D37        0.15751  -0.00039  -0.01480  -0.03617  -0.05069   0.10682
   D38       -2.89521  -0.00017   0.00002  -0.03246  -0.03205  -2.92726
   D39       -3.07983  -0.00051  -0.02680  -0.03399  -0.06077  -3.14060
   D40        0.15063  -0.00029  -0.01198  -0.03027  -0.04213   0.10850
   D41        2.96984   0.00027  -0.00073   0.02385   0.02291   2.99275
   D42       -0.10383   0.00042   0.00928   0.02978   0.03896  -0.06487
   D43       -0.07392   0.00030   0.01120   0.02144   0.03269  -0.04123
   D44        3.13559   0.00045   0.02121   0.02737   0.04874  -3.09886
   D45       -0.42001   0.00005  -0.01595   0.00546  -0.01023  -0.43024
   D46        3.02530   0.00055   0.02590   0.03385   0.05977   3.08507
   D47        1.07028   0.00213   0.00374   0.03211   0.03680   1.10708
   D48        2.62997  -0.00023  -0.03153   0.00207  -0.02940   2.60058
   D49       -0.20791   0.00026   0.01031   0.03046   0.04060  -0.16730
   D50       -2.16293   0.00185  -0.01185   0.02872   0.01764  -2.14529
   D51       -0.10936   0.00003   0.00150   0.01742   0.01880  -0.09056
   D52        2.98723   0.00018   0.01171   0.02458   0.03641   3.02364
   D53        3.12267   0.00030   0.01637   0.02105   0.03732  -3.12320
   D54       -0.06391   0.00045   0.02659   0.02822   0.05492  -0.00899
   D55        0.40511   0.00040   0.03247   0.02488   0.05680   0.46191
   D56       -2.70463  -0.00009   0.04701   0.01090   0.05723  -2.64739
   D57       -3.03008   0.00007  -0.00515  -0.00396  -0.00838  -3.03845
   D58        0.14337  -0.00042   0.00939  -0.01793  -0.00794   0.13543
   D59       -1.36356   0.00042   0.02473   0.02415   0.04893  -1.31463
   D60        1.80989  -0.00006   0.03927   0.01018   0.04936   1.85925
   D61        2.67059  -0.00016  -0.04163  -0.00502  -0.04732   2.62327
   D62       -0.90255   0.00030  -0.05129   0.00402  -0.04841  -0.95096
   D63       -0.16534   0.00043   0.00212   0.02377   0.02564  -0.13969
   D64        2.54471   0.00089  -0.00754   0.03280   0.02456   2.56927
   D65        2.43007   0.00051   0.02983  -0.01485   0.01462   2.44469
   D66        1.85043   0.00052   0.02422  -0.02058   0.00388   1.85431
   D67       -1.82823   0.00040   0.01697  -0.00881   0.00700  -1.82123
   D68       -2.40787   0.00041   0.01136  -0.01454  -0.00374  -2.41161
   D69       -3.13808  -0.00051   0.00106  -0.01281  -0.01243   3.13268
   D70       -0.02860  -0.00002  -0.01348   0.00108  -0.01285  -0.04145
   D71       -0.04867  -0.00008  -0.00041   0.00174   0.00134  -0.04733
   D72        3.12909  -0.00006   0.00259  -0.00109   0.00154   3.13063
   D73        3.02474  -0.00022  -0.01032  -0.00405  -0.01436   3.01039
   D74       -0.08068  -0.00019  -0.00732  -0.00687  -0.01416  -0.09484
   D75        0.09452  -0.00020  -0.01086  -0.01571  -0.02648   0.06804
   D76       -3.06514  -0.00031  -0.01032  -0.02147  -0.03172  -3.09686
   D77       -3.08333  -0.00024  -0.01388  -0.01296  -0.02678  -3.11011
   D78        0.04020  -0.00034  -0.01335  -0.01872  -0.03203   0.00818
   D79        2.91379  -0.00169  -0.05448  -0.09267  -0.14717   2.76663
   D80       -0.23495  -0.00170  -0.05365  -0.09190  -0.14556  -0.38051
   D81       -0.19000  -0.00166  -0.05127  -0.09566  -0.14692  -0.33692
   D82        2.94444  -0.00167  -0.05043  -0.09490  -0.14531   2.79913
   D83       -0.01625   0.00027   0.01058   0.00606   0.01662   0.00037
   D84       -3.11301   0.00010  -0.00027  -0.00109  -0.00125  -3.11426
   D85       -3.14022   0.00037   0.00999   0.01172   0.02170  -3.11852
   D86        0.04620   0.00021  -0.00086   0.00457   0.00383   0.05003
   D87        0.08706  -0.00019  -0.00726  -0.01588  -0.02327   0.06378
   D88       -2.96958  -0.00037  -0.00467  -0.02786  -0.03261  -3.00218
   D89       -2.62534  -0.00103  -0.00139  -0.02342  -0.02443  -2.64977
   D90        0.60122  -0.00121   0.00119  -0.03540  -0.03376   0.56745
   D91       -0.95037  -0.00111  -0.00491  -0.00962  -0.01443  -0.96480
   D92        2.27618  -0.00129  -0.00232  -0.02161  -0.02376   2.25242
   D93        0.10649  -0.00039   0.02054  -0.00297   0.01773   0.12422
   D94       -2.19935  -0.00089   0.02317  -0.00260   0.02134  -2.17801
   D95        2.26229   0.00037   0.02479   0.00353   0.02871   2.29100
   D96        2.81679   0.00030   0.01247   0.00727   0.01957   2.83636
   D97        0.51094  -0.00020   0.01511   0.00763   0.02318   0.53412
   D98       -1.31060   0.00106   0.01672   0.01376   0.03055  -1.28005
   D99        0.92932  -0.00098  -0.01043  -0.01625  -0.02707   0.90225
   D100      -1.37653  -0.00149  -0.00779  -0.01589  -0.02346  -1.39999
   D101       3.08511  -0.00022  -0.00617  -0.00976  -0.01609   3.06902
   D102      -0.92998   0.00001  -0.00850  -0.01407  -0.02267  -0.95265
   D103      -1.54376  -0.00002  -0.01429  -0.01924  -0.03332  -1.57708
   D104       1.14084  -0.00078  -0.01849  -0.00983  -0.02876   1.11208
   D105       0.52706  -0.00081  -0.02429  -0.01500  -0.03941   0.48765
   D106       0.02854  -0.00022   0.00375  -0.00053   0.00351   0.03205
   D107      -3.10348  -0.00003   0.01025   0.00125   0.01157  -3.09191
   D108       3.08918  -0.00011   0.00130   0.01048   0.01205   3.10123
   D109      -0.04284   0.00008   0.00779   0.01226   0.02011  -0.02274
   D110       3.09381   0.00013  -0.00594   0.00226  -0.00377   3.09004
   D111      -0.02455  -0.00014  -0.01462  -0.00742  -0.02214  -0.04670
   D112       0.03673  -0.00000  -0.00378  -0.00917  -0.01300   0.02373
   D113      -3.08163  -0.00027  -0.01247  -0.01885  -0.03137  -3.11300
   D114      -0.05714   0.00028   0.00677   0.00793   0.01467  -0.04246
   D115       3.07507   0.00009   0.00041   0.00615   0.00674   3.08182
   D116       0.01817  -0.00011  -0.00542  -0.00651  -0.01194   0.00624
   D117       3.12828  -0.00018  -0.00696  -0.00913  -0.01608   3.11220
   D118      -3.11430   0.00007   0.00077  -0.00479  -0.00422  -3.11852
   D119      -0.00420   0.00000  -0.00077  -0.00741  -0.00836  -0.01256
   D120      -0.00532  -0.00006  -0.00287   0.00002  -0.00283  -0.00815
   D121       3.13130  -0.00030  -0.01234  -0.01054  -0.02285   3.10844
   D122       3.11321   0.00021   0.00593   0.00959   0.01543   3.12863
   D123      -0.03336  -0.00003  -0.00355  -0.00097  -0.00459  -0.03795
   D124      -0.01982   0.00005   0.00519   0.00607   0.01126  -0.00856
   D125       3.13138   0.00003   0.00421   0.00334   0.00752   3.13890
   D126       3.12687   0.00030   0.01490   0.01688   0.03178  -3.12453
   D127      -0.00511   0.00028   0.01392   0.01416   0.02804   0.02293
   D128       0.01312   0.00003  -0.00095  -0.00275  -0.00374   0.00939
   D129      -3.09475   0.00009   0.00057  -0.00010   0.00038  -3.09436
   D130      -3.13810   0.00006   0.00005  -0.00002   0.00003  -3.13807
   D131       0.03722   0.00011   0.00158   0.00264   0.00415   0.04136
   D132       0.27528   0.00156   0.05691   0.08963   0.14655   0.42183
   D133      -2.86804   0.00160   0.05546   0.09011   0.14557  -2.72247
   D134      -2.85620   0.00154   0.05586   0.08673   0.14259  -2.71361
   D135       0.28366   0.00157   0.05441   0.08721   0.14161   0.42527
   D136      -3.12966  -0.00008  -0.00046  -0.00147  -0.00192  -3.13159
   D137      -0.03793  -0.00015  -0.00515  -0.00600  -0.01113  -0.04906
   D138       0.01012  -0.00003  -0.00059   0.00015  -0.00044   0.00968
   D139       3.10186  -0.00011  -0.00528  -0.00438  -0.00965   3.09221
   D140      -3.13601   0.00000   0.00016  -0.00037  -0.00021  -3.13621
   D141      -0.04041  -0.00014  -0.00774  -0.00688  -0.01458  -0.05499
   D142       0.00740  -0.00004   0.00029  -0.00199  -0.00170   0.00571
   D143       3.10300  -0.00019  -0.00761  -0.00850  -0.01607   3.08693
   D144      -3.12926  -0.00012  -0.00101  -0.00202  -0.00303  -3.13228
   D145      -0.02158  -0.00029  -0.00506  -0.01155  -0.01662  -0.03819
   D146       0.01916  -0.00011  -0.00182  -0.00273  -0.00455   0.01461
   D147       3.12684  -0.00028  -0.00587  -0.01226  -0.01814   3.10870
   D148      -3.13645   0.00006   0.00107   0.00103   0.00210  -3.13436
   D149      -0.04136  -0.00013  -0.00681  -0.00721  -0.01402  -0.05538
   D150      -0.00168   0.00005   0.00188   0.00175   0.00363   0.00195
   D151       3.09341  -0.00014  -0.00600  -0.00649  -0.01249   3.08093
   D152       3.12639   0.00010   0.00042   0.00191   0.00233   3.12872
   D153       0.02744   0.00021   0.00430   0.00792   0.01222   0.03966
   D154      -0.01355   0.00007   0.00181   0.00146   0.00327  -0.01028
   D155      -3.11249   0.00018   0.00569   0.00747   0.01316  -3.09934
   D156       3.13926  -0.00003  -0.00032  -0.00038  -0.00070   3.13855
   D157       0.03863   0.00012   0.00555   0.00586   0.01141   0.05003
   D158      -0.00399  -0.00000  -0.00170   0.00007  -0.00164  -0.00563
   D159      -3.10462   0.00015   0.00416   0.00631   0.01047  -3.09415
   D160      -0.02005   0.00008   0.00042   0.00169   0.00211  -0.01794
   D161       3.10432  -0.00004   0.00532   0.00076   0.00605   3.11037
   D162      -3.12861   0.00026   0.00429   0.01107   0.01536  -3.11325
   D163      -0.00424   0.00014   0.00919   0.01014   0.01930   0.01506
   D164       0.00284   0.00002   0.00091   0.00048   0.00138   0.00422
   D165      -3.13628   0.00002   0.00058   0.00088   0.00145  -3.13483
   D166      -3.12166   0.00014  -0.00382   0.00140  -0.00245  -3.12412
   D167       0.02240   0.00014  -0.00415   0.00180  -0.00238   0.02002
   D168       0.01428  -0.00007  -0.00077  -0.00144  -0.00221   0.01208
   D169      -3.10609   0.00008  -0.00358  -0.00044  -0.00402  -3.11011
   D170      -3.12978  -0.00008  -0.00044  -0.00184  -0.00228  -3.13206
   D171       0.03303   0.00007  -0.00324  -0.00084  -0.00410   0.02894
   D172       0.89673   0.00003   0.03334   0.02238   0.05572   0.95245
   D173      -2.24673   0.00006   0.03446   0.02412   0.05857  -2.18815
   D174      -2.24235   0.00004   0.03302   0.02278   0.05580  -2.18655
   D175       0.89738   0.00007   0.03414   0.02452   0.05866   0.95604
   D176      -0.01496   0.00004  -0.00069   0.00031  -0.00037  -0.01533
   D177      -3.11118   0.00024   0.00691   0.00853   0.01546  -3.09572
   D178       3.10524  -0.00010   0.00228  -0.00069   0.00158   3.10682
   D179       0.00903   0.00009   0.00989   0.00753   0.01741   0.02644
   D180      -0.01838   0.00008   0.00005   0.00193   0.00198  -0.01641
   D181       3.10232  -0.00003   0.00453   0.00153   0.00602   3.10834
   D182      -3.11117   0.00018   0.00461   0.00666   0.01130  -3.09987
   D183       0.00953   0.00007   0.00909   0.00625   0.01535   0.02488
   D184       0.00881  -0.00004   0.00071  -0.00211  -0.00140   0.00741
   D185      -3.13257  -0.00001  -0.00036  -0.00014  -0.00050  -3.13306
   D186      -3.11205   0.00007  -0.00360  -0.00172  -0.00534  -3.11738
   D187       0.02976   0.00011  -0.00467   0.00025  -0.00443   0.02533
   D188       0.00837  -0.00003  -0.00092   0.00031  -0.00061   0.00776
   D189      -3.11431   0.00013  -0.00382   0.00196  -0.00186  -3.11617
   D190      -3.13344  -0.00006   0.00016  -0.00166  -0.00151  -3.13495
   D191       0.02707   0.00010  -0.00275  -0.00001  -0.00277   0.02430
   D192      -2.22789   0.00012   0.03661   0.02774   0.06435  -2.16353
   D193       0.91760   0.00012   0.03764   0.02723   0.06487   0.98247
   D194       0.91392   0.00016   0.03553   0.02975   0.06528   0.97920
   D195      -2.22378   0.00015   0.03656   0.02924   0.06580  -2.15798
   D196      -0.01673   0.00007   0.00041   0.00181   0.00222  -0.01451
   D197      -3.11332   0.00024   0.00812   0.00843   0.01659  -3.09673
   D198       3.10578  -0.00008   0.00347   0.00014   0.00358   3.10936
   D199       0.00919   0.00008   0.01118   0.00676   0.01795   0.02715
   D200       0.01907  -0.00008  -0.00030  -0.00206  -0.00236   0.01671
   D201      -3.10367   0.00003  -0.00519  -0.00173  -0.00689  -3.11056
   D202       3.11905  -0.00020  -0.00405  -0.00810  -0.01216   3.10688
   D203      -0.00369  -0.00009  -0.00895  -0.00776  -0.01669  -0.02039
   D204      -0.00665   0.00002  -0.00128   0.00103  -0.00025  -0.00690
   D205       3.13475  -0.00000  -0.00021  -0.00022  -0.00043   3.13431
   D206       3.11624  -0.00009   0.00344   0.00070   0.00417   3.12041
   D207      -0.02555  -0.00011   0.00451  -0.00055   0.00398  -0.02157
   D208      -0.01056   0.00005   0.00130   0.00048   0.00178  -0.00878
   D209       3.11212  -0.00010   0.00484  -0.00051   0.00434   3.11646
   D210       3.13123   0.00007   0.00023   0.00173   0.00197   3.13319
   D211      -0.02928  -0.00008   0.00377   0.00074   0.00453  -0.02475
   D212       2.23311  -0.00011  -0.03655  -0.02710  -0.06365   2.16946
   D213      -0.90969  -0.00009  -0.03643  -0.02554  -0.06198  -0.97167
   D214      -0.90868  -0.00013  -0.03547  -0.02837  -0.06384  -0.97252
   D215       2.23170  -0.00011  -0.03536  -0.02681  -0.06217   2.16953
   D216       0.01607  -0.00006   0.00024  -0.00105  -0.00082   0.01525
   D217       3.11748  -0.00021  -0.00546  -0.00730  -0.01277   3.10471
   D218      -3.10645   0.00008  -0.00346  -0.00006  -0.00349  -3.10995
   D219      -0.00505  -0.00007  -0.00915  -0.00631  -0.01545  -0.02049
   D220      -3.13885   0.00002   0.00055   0.00057   0.00111  -3.13774
   D221       0.05130  -0.00013  -0.01175  -0.00873  -0.02060   0.03069
   D222      -0.00057   0.00003  -0.00033   0.00100   0.00066   0.00008
   D223      -3.09362  -0.00013  -0.01263  -0.00830  -0.02105  -3.11467
   D224       3.13720   0.00000   0.00065  -0.00054   0.00010   3.13729
   D225       0.04291  -0.00015  -0.01154  -0.00958  -0.02124   0.02167
   D226      -0.00107  -0.00000   0.00154  -0.00098   0.00054  -0.00053
   D227      -3.09535  -0.00015  -0.01065  -0.01002  -0.02080  -3.11615
   D228       3.14032   0.00002   0.00142   0.00080   0.00220  -3.14066
   D229       0.04946  -0.00012  -0.00991  -0.00801  -0.01804   0.03143
   D230       0.00032  -0.00001   0.00047  -0.00069  -0.00024   0.00008
   D231      -3.09054  -0.00015  -0.01086  -0.00949  -0.02048  -3.11102
   D232       3.14066   0.00000  -0.00027  -0.00070  -0.00099   3.13967
   D233       0.05032  -0.00015  -0.01204  -0.00996  -0.02212   0.02821
   D234      -0.00252   0.00003   0.00068   0.00078   0.00145  -0.00107
   D235      -3.09286  -0.00013  -0.01108  -0.00848  -0.01968  -3.11254
   D236      -3.14073  -0.00001  -0.00006   0.00010   0.00006  -3.14067
   D237      -0.04805   0.00015   0.01221   0.00952   0.02185  -0.02620
   D238       0.00190  -0.00003  -0.00015  -0.00123  -0.00137   0.00054
   D239       3.09458   0.00012   0.01212   0.00819   0.02043   3.11501
   D240      -3.14053  -0.00001  -0.00118  -0.00020  -0.00136   3.14129
   D241      -0.04712   0.00013   0.01057   0.00867   0.01936  -0.02776
   D242       0.00003   0.00001  -0.00108   0.00113   0.00007   0.00009
   D243       3.09343   0.00015   0.01067   0.01001   0.02079   3.11423
   D244       0.00194  -0.00002  -0.00140   0.00033  -0.00103   0.00091
   D245      -3.12078  -0.00007  -0.00113  -0.00197  -0.00306  -3.12384
   D246       3.09752   0.00012   0.00939   0.00823   0.01752   3.11504
   D247      -0.02520   0.00007   0.00965   0.00593   0.01549  -0.00971
   D248       3.11006   0.00010   0.00513   0.00441   0.00959   3.11965
   D249      -0.02481   0.00017   0.00293   0.00448   0.00743  -0.01738
   D250       0.02482  -0.00006  -0.00776  -0.00531  -0.01300   0.01182
   D251      -3.11004   0.00000  -0.00996  -0.00525  -0.01517  -3.12521
   D252      -0.00342   0.00004   0.00179   0.00015   0.00189  -0.00153
   D253       3.11573   0.00011   0.00147   0.00286   0.00427   3.12000
   D254       3.11551   0.00010   0.00156   0.00287   0.00437   3.11988
   D255      -0.04853   0.00017   0.00124   0.00559   0.00675  -0.04177
   D256       0.00756  -0.00004  -0.00402  -0.00266  -0.00667   0.00089
   D257       3.14133  -0.00001  -0.00284  -0.00062  -0.00345   3.13788
   D258      -3.10913  -0.00011  -0.00370  -0.00566  -0.00934  -3.11847
   D259       0.02464  -0.00007  -0.00252  -0.00362  -0.00613   0.01851
   D260       0.00368  -0.00004  -0.00153  -0.00057  -0.00206   0.00162
   D261       3.09878   0.00012   0.00963   0.00777   0.01730   3.11607
   D262      -3.11923  -0.00009  -0.00119  -0.00286  -0.00400  -3.12323
   D263      -0.02413   0.00006   0.00996   0.00549   0.01535  -0.00877
   D264      -3.10987  -0.00011  -0.00394  -0.00541  -0.00932  -3.11919
   D265       0.02455  -0.00007  -0.00225  -0.00339  -0.00563   0.01891
   D266       0.00707  -0.00004  -0.00435  -0.00242  -0.00676   0.00031
   D267       3.14148   0.00000  -0.00267  -0.00041  -0.00307   3.13841
   D268       3.10886   0.00013   0.00547   0.00519   0.01071   3.11957
   D269      -0.02852   0.00019   0.00300   0.00549   0.00851  -0.02001
   D270       0.02420  -0.00005  -0.00790  -0.00505  -0.01287   0.01133
   D271      -3.11318   0.00002  -0.01037  -0.00475  -0.01507  -3.12825
   D272       0.00195  -0.00004  -0.00097  -0.00064  -0.00157   0.00038
   D273      -3.12103  -0.00009  -0.00105  -0.00303  -0.00404  -3.12507
   D274       3.09946   0.00012   0.01064   0.00777   0.01831   3.11777
   D275      -0.02352   0.00007   0.01056   0.00539   0.01585  -0.00767
   D276       3.11108   0.00012   0.00557   0.00516   0.01078   3.12186
   D277      -0.02471   0.00018   0.00260   0.00541   0.00802  -0.01669
   D278       0.02342  -0.00006  -0.00837  -0.00514  -0.01344   0.00999
   D279      -3.11238   0.00000  -0.01135  -0.00489  -0.01619  -3.12857
   D280      -0.00256   0.00003   0.00189   0.00004   0.00187  -0.00069
   D281       3.11777   0.00011   0.00153   0.00323   0.00470   3.12247
   D282       3.11665   0.00011   0.00206   0.00289   0.00488   3.12153
   D283      -0.04621   0.00018   0.00171   0.00607   0.00771  -0.03849
   D284       0.00691  -0.00004  -0.00462  -0.00221  -0.00681   0.00009
   D285       3.14110   0.00000  -0.00257  -0.00039  -0.00295   3.13815
   D286      -3.11009  -0.00011  -0.00476  -0.00534  -0.01008  -3.12016
   D287       0.02410  -0.00008  -0.00270  -0.00352  -0.00622   0.01789
   D288       0.00225  -0.00002  -0.00211   0.00058  -0.00150   0.00076
   D289       3.10093   0.00013   0.00943   0.00868   0.01801   3.11895
   D290      -3.12165  -0.00007  -0.00175  -0.00211  -0.00382  -3.12547
   D291      -0.02297   0.00007   0.00979   0.00600   0.01569  -0.00728
   D292      -3.11118  -0.00012  -0.00390  -0.00616  -0.01004  -3.12123
   D293       0.02373  -0.00008  -0.00245  -0.00399  -0.00643   0.01730
   D294       0.00704  -0.00004  -0.00435  -0.00266  -0.00698   0.00006
   D295      -3.14122  -0.00000  -0.00289  -0.00049  -0.00337   3.13859
   D296       3.11180   0.00011   0.00608   0.00453   0.01066   3.12246
   D297      -0.02699   0.00019   0.00373   0.00498   0.00873  -0.01826
   D298       0.02275  -0.00006  -0.00775  -0.00546  -0.01313   0.00962
   D299      -3.11604   0.00002  -0.01010  -0.00501  -0.01506  -3.13110
   D300      -0.00304   0.00004   0.00129   0.00084   0.00210  -0.00094
   D301       3.12042   0.00010   0.00121   0.00315   0.00432   3.12474
   D302      -3.10024  -0.00012  -0.01029  -0.00766  -0.01785  -3.11809
   D303       0.02322  -0.00006  -0.01038  -0.00535  -0.01563   0.00759
   D304      -3.11049  -0.00013  -0.00562  -0.00542  -0.01109  -3.12158
   D305       0.02758  -0.00020  -0.00308  -0.00578  -0.00887   0.01871
   D306      -0.02324   0.00005   0.00829   0.00500   0.01322  -0.01002
   D307       3.11484  -0.00001   0.01084   0.00464   0.01543   3.13027
   D308       0.00300  -0.00004  -0.00194  -0.00015  -0.00203   0.00097
   D309      -3.11662  -0.00011  -0.00153  -0.00316  -0.00463  -3.12125
   D310      -3.11680  -0.00011  -0.00191  -0.00290  -0.00474  -3.12154
   D311       0.04677  -0.00018  -0.00151  -0.00591  -0.00734   0.03942
   D312      -0.00684   0.00004   0.00443   0.00230   0.00672  -0.00013
   D313      -3.14157  -0.00000   0.00279   0.00041   0.00320  -3.13837
   D314       3.11080   0.00011   0.00435   0.00532   0.00965   3.12045
   D315      -0.02393   0.00007   0.00271   0.00343   0.00613  -0.01780
   D316      -0.00189   0.00002   0.00186  -0.00060   0.00122  -0.00067
   D317      -3.09979  -0.00012  -0.00928  -0.00855  -0.01774  -3.11752
   D318       3.12142   0.00007   0.00145   0.00194   0.00335   3.12477
   D319       0.02352  -0.00007  -0.00969  -0.00601  -0.01561   0.00791
   D320       3.11016   0.00012   0.00378   0.00606   0.00982   3.11998
   D321      -0.02406   0.00008   0.00233   0.00387   0.00620  -0.01786
   D322      -0.00728   0.00004   0.00428   0.00274   0.00701  -0.00027
   D323      -3.14151   0.00001   0.00284   0.00055   0.00339  -3.13812
   D324      -3.11112  -0.00011  -0.00574  -0.00443  -0.01022  -3.12135
   D325       0.02559  -0.00018  -0.00327  -0.00463  -0.00791   0.01768
   D326      -0.02304   0.00005   0.00760   0.00536   0.01289  -0.01015
   D327       3.11367  -0.00001   0.01008   0.00517   0.01521   3.12887
   D328       0.00880   0.00000  -0.00272  -0.00087  -0.00361   0.00520
   D329      -3.13532  -0.00008  -0.00315  -0.00232  -0.00548  -3.14080
   D330      -3.12561  -0.00004  -0.00443  -0.00288  -0.00730  -3.13291
   D331       0.01346  -0.00011  -0.00486  -0.00433  -0.00918   0.00428
   D332      -0.00850   0.00001   0.00476   0.00127   0.00602  -0.00248
   D333       3.12994  -0.00003   0.00178   0.00113   0.00293   3.13287
   D334       3.13561   0.00009   0.00519   0.00271   0.00789  -3.13968
   D335      -0.00913   0.00005   0.00221   0.00257   0.00480  -0.00433
   D336      -0.00794   0.00001   0.00048   0.00168   0.00219  -0.00575
   D337       3.12945  -0.00006   0.00298   0.00138   0.00440   3.13385
   D338       3.13679   0.00005   0.00345   0.00182   0.00528  -3.14111
   D339      -0.00900  -0.00001   0.00594   0.00152   0.00748  -0.00152
   D340      -0.00755   0.00001   0.00049   0.00157   0.00210  -0.00545
   D341       3.13826   0.00005   0.00361   0.00177   0.00540  -3.13953
   D342       3.12733  -0.00005   0.00273   0.00151   0.00428   3.13162
   D343      -0.01004  -0.00001   0.00585   0.00171   0.00758  -0.00246
   D344      -0.00946   0.00002   0.00477   0.00158   0.00634  -0.00313
   D345       3.13596   0.00010   0.00528   0.00278   0.00805  -3.13918
   D346       3.12790  -0.00003   0.00164   0.00137   0.00304   3.13093
   D347      -0.00987   0.00005   0.00216   0.00257   0.00475  -0.00512
   D348       0.00930  -0.00000  -0.00290  -0.00100  -0.00392   0.00538
   D349      -3.12447  -0.00004  -0.00411  -0.00304  -0.00715  -3.13161
   D350      -3.13613  -0.00008  -0.00341  -0.00221  -0.00563   3.14142
   D351       0.01329  -0.00011  -0.00462  -0.00424  -0.00886   0.00443
   D352       0.00805   0.00000  -0.00254  -0.00101  -0.00357   0.00448
   D353      -3.13545  -0.00008  -0.00334  -0.00226  -0.00561  -3.14106
   D354      -3.12687  -0.00004  -0.00402  -0.00317  -0.00718  -3.13405
   D355       0.01282  -0.00011  -0.00482  -0.00442  -0.00923   0.00359
   D356      -0.00806   0.00001   0.00456   0.00150   0.00605  -0.00201
   D357       3.13086  -0.00003   0.00148   0.00121   0.00270   3.13356
   D358       3.13543   0.00009   0.00536   0.00275   0.00810  -3.13966
   D359      -0.00884   0.00004   0.00228   0.00246   0.00475  -0.00409
   D360      -0.00729   0.00001   0.00051   0.00173   0.00227  -0.00501
   D361       3.13151  -0.00006   0.00289   0.00127   0.00420   3.13571
   D362       3.13697   0.00006   0.00359   0.00202   0.00562  -3.14059
   D363      -0.00741  -0.00001   0.00596   0.00156   0.00755   0.00013
   D364      -0.00741   0.00001   0.00053   0.00185   0.00241  -0.00500
   D365       3.13860   0.00005   0.00319   0.00177   0.00498  -3.13961
   D366       3.12839  -0.00005   0.00354   0.00160   0.00518   3.13358
   D367      -0.00878  -0.00001   0.00620   0.00153   0.00775  -0.00103
   D368      -0.00860   0.00001   0.00503   0.00120   0.00622  -0.00238
   D369       3.13622   0.00009   0.00493   0.00266   0.00757  -3.13940
   D370       3.12856  -0.00002   0.00236   0.00128   0.00366   3.13222
   D371      -0.00981   0.00005   0.00226   0.00274   0.00501  -0.00480
   D372       0.00871  -0.00000  -0.00286  -0.00101  -0.00389   0.00482
   D373      -3.12548  -0.00004  -0.00495  -0.00281  -0.00776  -3.13324
   D374      -3.13612  -0.00008  -0.00276  -0.00247  -0.00524  -3.14135
   D375       0.01288  -0.00011  -0.00485  -0.00428  -0.00911   0.00377
   D376      -0.00835  -0.00000   0.00261   0.00095   0.00359  -0.00477
   D377       3.13596   0.00008   0.00340   0.00225   0.00566  -3.14156
   D378       3.12587   0.00003   0.00408   0.00313   0.00721   3.13308
   D379      -0.01300   0.00012   0.00487   0.00443   0.00929  -0.00371
   D380       0.00863  -0.00002  -0.00468  -0.00156  -0.00623   0.00240
   D381      -3.12954   0.00003  -0.00151  -0.00125  -0.00278  -3.13232
   D382      -3.13568  -0.00010  -0.00547  -0.00285  -0.00831   3.13920
   D383       0.00934  -0.00005  -0.00229  -0.00255  -0.00485   0.00449
   D384       0.00703  -0.00001  -0.00036  -0.00160  -0.00199   0.00504
   D385      -3.12970   0.00006  -0.00287  -0.00140  -0.00431  -3.13401
   D386      -3.13798  -0.00006  -0.00352  -0.00190  -0.00544   3.13976
   D387       0.00848   0.00001  -0.00604  -0.00170  -0.00776   0.00072
   D388       0.00758  -0.00001  -0.00054  -0.00174  -0.00231   0.00527
   D389      -3.13693  -0.00006  -0.00377  -0.00191  -0.00570   3.14056
   D390      -3.13050   0.00006  -0.00311  -0.00138  -0.00453  -3.13503
   D391       0.00817   0.00001  -0.00634  -0.00155  -0.00792   0.00025
   D392       0.00820  -0.00001  -0.00503  -0.00119  -0.00621   0.00198
   D393      -3.13544  -0.00010  -0.00540  -0.00280  -0.00819   3.13955
   D394      -3.13047   0.00003  -0.00179  -0.00102  -0.00282  -3.13329
   D395       0.00907  -0.00005  -0.00215  -0.00263  -0.00480   0.00428
   D396      -0.00843   0.00000   0.00297   0.00089   0.00388  -0.00456
   D397       3.12629   0.00004   0.00464   0.00277   0.00741   3.13370
   D398       3.13521   0.00008   0.00334   0.00250   0.00586   3.14107
   D399      -0.01325   0.00012   0.00501   0.00439   0.00938  -0.00386
   D400       1.40096   0.00154   0.03906   0.04057   0.07893   1.47988
   D401      -0.86274   0.00022   0.03385   0.04217   0.07622  -0.78653
   D402      -3.10850  -0.00007   0.04968   0.03338   0.08255  -3.02595
   D403      -2.94944  -0.00019  -0.02146  -0.03436  -0.05654  -3.00597
   D404      -0.80275   0.00001  -0.01578  -0.03289  -0.04870  -0.85144
   D405       1.47978  -0.00090  -0.03701  -0.02746  -0.06374   1.41604
   D406       2.86646  -0.00024  -0.02501  -0.03680  -0.06121   2.80526
   D407      -1.29686  -0.00042  -0.02306  -0.03449  -0.05668  -1.35354
   D408       0.73233  -0.00012  -0.02703  -0.03747  -0.06383   0.66851
   D409       3.08638  -0.00024  -0.01409  -0.01727  -0.03136   3.05502
   D410      -1.08979  -0.00015  -0.01659  -0.01560  -0.03219  -1.12198
   D411       0.96727  -0.00019  -0.01056  -0.01693  -0.02749   0.93978
   D412       3.13134  -0.00011  -0.00278  -0.00254  -0.00568   3.12566
   D413      -1.06911  -0.00008  -0.00263  -0.00194  -0.00492  -1.07403
   D414       1.04944  -0.00017  -0.00417  -0.00353  -0.00806   1.04138
   D415       1.08143  -0.00019  -0.00125  -0.01008  -0.01111   1.07032
   D416      -3.11902  -0.00016  -0.00109  -0.00949  -0.01035  -3.12938
   D417      -1.00047  -0.00024  -0.00263  -0.01108  -0.01349  -1.01396
   D418      -1.07072   0.00024  -0.00301  -0.00041  -0.00328  -1.07401
   D419       1.01201   0.00027  -0.00285   0.00019  -0.00253   1.00948
   D420       3.13056   0.00019  -0.00439  -0.00140  -0.00566   3.12490
   D421       1.52477   0.00065   0.01152  -0.00050   0.01098   1.53575
   D422      -2.71134   0.00038   0.01528   0.00560   0.02107  -2.69027
   D423      -0.50981  -0.00008   0.01741  -0.00147   0.01592  -0.49389
   D424      -1.55863  -0.00055  -0.01039  -0.00513  -0.01439  -1.57301
   D425       2.66084  -0.00040  -0.01467  -0.00860  -0.02267   2.63817
   D426       0.45947   0.00002  -0.01718  -0.00111  -0.01801   0.44146
   D427       1.05758  -0.00000  -0.00011   0.00120   0.00110   1.05867
   D428      -3.13760   0.00003   0.00048   0.00177   0.00225  -3.13535
   D429      -1.04970   0.00003  -0.00017   0.00171   0.00154  -1.04816
   D430      -1.01582  -0.00014   0.00079  -0.00084  -0.00005  -1.01587
   D431       1.07219  -0.00011   0.00137  -0.00028   0.00110   1.07329
   D432      -3.12310  -0.00011   0.00072  -0.00034   0.00039  -3.12271
   D433       3.13407   0.00009   0.00176   0.00122   0.00296   3.13704
   D434      -1.06110   0.00013   0.00234   0.00178   0.00411  -1.05699
   D435       1.02679   0.00013   0.00169   0.00172   0.00341   1.03020
   D436      -1.59767   0.00049   0.00683   0.03200   0.03945  -1.55822
   D437      -1.49633   0.00089   0.01090   0.02869   0.04063  -1.45570
   D438       0.29830   0.00009  -0.00964   0.00175  -0.00797   0.29033
   D439       0.99234   0.00075   0.02831   0.03138   0.05985   1.05219
   D440       0.83857   0.00080   0.03108   0.02529   0.05713   0.89570
   D441      -0.28566   0.00000   0.00970  -0.00077   0.00892  -0.27673
         Item               Value     Threshold  Converged?
 Maximum Force            0.003314     0.000450     NO 
 RMS     Force            0.000458     0.000300     NO 
 Maximum Displacement     1.229183     0.001800     NO 
 RMS     Displacement     0.224044     0.001200     NO 
 Predicted change in Energy=-3.559776D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.710453    2.840690    0.436784
      2          6           0       -1.974816    1.468000    0.481119
      3          6           0       -0.958489    0.501300    0.467963
      4          6           0        0.384223    0.938722    0.455482
      5          6           0        0.662254    2.309408    0.372860
      6          6           0       -0.360038    3.242539    0.362478
      7          6           0       -1.233625   -0.939298    0.381081
      8          6           0       -0.170186   -1.874815    0.520078
      9          6           0        1.159485   -1.415488    0.878886
     10          6           0        1.486334   -0.024624    0.547644
     11          6           0       -2.500750   -1.422739    0.035223
     12          6           0       -2.764684   -2.773665   -0.227622
     13          6           0       -1.669040   -3.661778   -0.189361
     14          6           0       -0.412498   -3.220226    0.173893
     15          7           0        2.203757   -2.295290    1.088209
     16          6           0        3.522722   -1.860884    0.806440
     17          6           0        3.728348   -0.521175    0.397227
     18          7           0        2.701521    0.383676    0.298483
     19          6           0        4.626271   -2.728385    0.830620
     20          6           0        5.888717   -2.272498    0.489042
     21          6           0        6.126844   -0.934307    0.095144
     22          6           0        5.022454   -0.086667    0.054838
     23          6           0       -2.807825    3.838083    0.463450
     24          6           0       -4.130524   -3.236048   -0.577076
     25          6           0        7.486277   -0.459827   -0.264781
     26          6           0       -4.349162   -4.446398   -1.261660
     27          6           0       -5.627835   -4.875659   -1.599410
     28          6           0       -6.752037   -4.117835   -1.245716
     29          6           0       -6.554364   -2.917468   -0.549569
     30          6           0       -5.271592   -2.485964   -0.232728
     31          6           0       -2.614145    5.120039    1.008671
     32          6           0       -3.641178    6.057779    1.048466
     33          6           0       -4.903959    5.754143    0.523478
     34          6           0       -5.110077    4.484517   -0.032691
     35          6           0       -4.083600    3.546245   -0.052531
     36          6           0        8.479970   -1.346468   -0.717111
     37          6           0        9.750150   -0.900985   -1.069247
     38          6           0       10.084335    0.455011   -0.963124
     39          6           0        9.108727    1.349998   -0.503207
     40          6           0        7.835776    0.900046   -0.170846
     41          7           0       -5.950941    6.709884    0.552310
     42          7           0       -8.056047   -4.555459   -1.580585
     43          7           0       11.379583    0.911999   -1.312319
     44          6           0       -8.610986   -5.798854   -1.257040
     45          6           0       -9.933827   -5.860028   -1.766949
     46          6           0      -10.187185   -4.596958   -2.428716
     47          6           0       -9.008922   -3.818008   -2.292686
     48          6           0       -7.212466    6.522783    1.125770
     49          6           0       -7.980472    7.703130    0.948115
     50          6           0       -7.142517    8.643979    0.234243
     51          6           0       -5.899455    7.996862    0.008329
     52          6           0       11.669204    1.913290   -2.245176
     53          6           0       13.076285    2.084315   -2.316866
     54          6           0       13.660616    1.143785   -1.383540
     55          6           0       12.584827    0.438601   -0.783645
     56          6           0      -11.283604   -4.078471   -3.128809
     57          6           0      -11.194437   -2.803801   -3.679733
     58          6           0      -10.017964   -2.046363   -3.542389
     59          6           0       -8.913071   -2.540842   -2.853865
     60          6           0       -8.063013   -6.859110   -0.528430
     61          6           0       -8.851659   -7.989297   -0.328336
     62          6           0      -10.161249   -8.067430   -0.833914
     63          6           0      -10.707775   -7.006701   -1.549796
     64          6           0       -7.341481    9.946621   -0.240097
     65          6           0       -6.311609   10.582677   -0.926405
     66          6           0       -5.087555    9.926702   -1.147254
     67          6           0       -4.865898    8.630763   -0.688542
     68          6           0       -7.725872    5.417271    1.811335
     69          6           0       -9.024142    5.503100    2.307362
     70          6           0       -9.799362    6.663484    2.134143
     71          6           0       -9.282941    7.765335    1.459369
     72          6           0       14.976427    0.858482   -0.998122
     73          6           0       15.203077   -0.114990   -0.030025
     74          6           0       14.126698   -0.801077    0.559739
     75          6           0       12.809366   -0.533757    0.195951
     76          6           0       10.803953    2.659999   -3.050966
     77          6           0       11.364521    3.590378   -3.922309
     78          6           0       12.756265    3.775029   -4.000482
     79          6           0       13.615477    3.024492   -3.203856
     80          8           0        0.635530   -3.762039    2.832296
     81         15           0        1.994394   -3.624057    2.280908
     82          8           0        3.211044   -3.448093    3.287820
     83          8           0        2.517063   -4.844296    1.368554
     84          6           0        3.176710   -2.534508    4.438851
     85          6           0        4.259666   -2.980232    5.395907
     86          6           0        2.359200   -6.194568    1.898339
     87          6           0        2.802962   -7.167621    0.824620
     88          1           0       -3.003357    1.146066    0.590880
     89          1           0        1.696491    2.629272    0.337136
     90          1           0       -0.105597    4.293963    0.277730
     91          1           0       -3.299956   -0.708503   -0.109982
     92          1           0       -1.795491   -4.711994   -0.423273
     93          1           0        0.403049   -3.930225    0.164470
     94          1           0        4.499140   -3.764342    1.112676
     95          1           0        6.711434   -2.975705    0.554820
     96          1           0        5.100621    0.942317   -0.276030
     97          1           0       -3.511312   -5.055123   -1.581832
     98          1           0       -5.757057   -5.799432   -2.152564
     99          1           0       -7.411930   -2.330198   -0.240340
    100          1           0       -5.171407   -1.573437    0.344399
    101          1           0       -1.662508    5.378848    1.460795
    102          1           0       -3.469359    7.027229    1.503362
    103          1           0       -6.074268    4.240228   -0.465189
    104          1           0       -4.270071    2.589738   -0.529945
    105          1           0        8.254758   -2.399662   -0.846414
    106          1           0       10.485113   -1.606124   -1.441873
    107          1           0        9.355774    2.400109   -0.391977
    108          1           0        7.121131    1.619619    0.214090
    109          1           0      -12.191173   -4.664014   -3.243763
    110          1           0      -12.038270   -2.390851   -4.224083
    111          1           0       -9.966201   -1.057004   -3.986921
    112          1           0       -8.009373   -1.949145   -2.761460
    113          1           0       -7.057936   -6.808208   -0.125227
    114          1           0       -8.447645   -8.824274    0.236216
    115          1           0      -10.751793   -8.961649   -0.659074
    116          1           0      -11.723080   -7.066824   -1.930967
    117          1           0       -8.288094   10.453964   -0.077516
    118          1           0       -6.454130   11.592812   -1.298397
    119          1           0       -4.299515   10.438367   -1.691730
    120          1           0       -3.919628    8.133622   -0.869852
    121          1           0       -7.135422    4.519872    1.957692
    122          1           0       -9.443228    4.657612    2.844714
    123          1           0      -10.807968    6.699950    2.534692
    124          1           0       -9.881962    8.662785    1.334258
    125          1           0       15.809938    1.391999   -1.445832
    126          1           0       16.218970   -0.344746    0.276833
    127          1           0       14.325107   -1.551035    1.319624
    128          1           0       11.987709   -1.064783    0.663230
    129          1           0        9.729520    2.522858   -3.004506
    130          1           0       10.712160    4.181040   -4.558489
    131          1           0       13.162655    4.507302   -4.691567
    132          1           0       14.690407    3.164733   -3.272273
    133          1           0        3.333911   -1.526737    4.051413
    134          1           0        2.177319   -2.569635    4.875317
    135          1           0        4.273893   -2.309753    6.260901
    136          1           0        4.076452   -3.997715    5.754098
    137          1           0        5.244708   -2.948575    4.921044
    138          1           0        2.973987   -6.287932    2.799541
    139          1           0        1.309913   -6.339525    2.168954
    140          1           0        3.852130   -7.009927    0.559273
    141          1           0        2.691175   -8.194232    1.187920
    142          1           0        2.196501   -7.054788   -0.078469
    143         17           0        0.849697   -0.376252    3.311645
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0185904           0.0072748           0.0056872
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13501.3704972677 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.25D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    0.999976    0.004770    0.000741   -0.004906 Ang=   0.79 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.67494079     A.U. after   14 cycles
            NFock= 14  Conv=0.28D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.002127239    0.000458872   -0.000259118
      2        6          -0.001891622   -0.001273689    0.001944368
      3        6           0.000657977    0.001637672    0.000754384
      4        6          -0.000684407   -0.000454466   -0.000312042
      5        6          -0.000553808    0.000921846    0.000570915
      6        6           0.000089953    0.000170409   -0.001444497
      7        6           0.001232861   -0.000194969   -0.000619282
      8        6           0.001090174   -0.003376551    0.001205737
      9        6          -0.003498462    0.005012789    0.001039002
     10        6           0.001867185    0.000073174   -0.004080685
     11        6          -0.001313479    0.000667127   -0.001843055
     12        6           0.001275933   -0.000567295    0.000282191
     13        6          -0.000683682    0.000079323    0.001001760
     14        6          -0.000796006   -0.000351339    0.001396769
     15        7           0.000362463    0.000461740    0.003833678
     16        6           0.001328789   -0.000680631   -0.001440716
     17        6          -0.000321678   -0.000290663   -0.000820943
     18        7          -0.000962234   -0.001246327    0.001753994
     19        6           0.001417729   -0.000608744    0.001049814
     20        6          -0.000490328    0.000511326    0.001237425
     21        6          -0.000861227   -0.000266505    0.000328700
     22        6           0.000022172    0.000348887   -0.001175105
     23        6          -0.000951821    0.000246470    0.000185243
     24        6          -0.000334137   -0.000164549   -0.000258748
     25        6           0.000670198    0.000602942   -0.000248006
     26        6          -0.000230203    0.000543560   -0.001085291
     27        6          -0.000290143   -0.001212836    0.000248506
     28        6           0.002316267    0.001820675    0.000952767
     29        6          -0.001036523    0.000064904   -0.000840413
     30        6           0.000226556   -0.000825062    0.001423131
     31        6          -0.000400699   -0.000514876    0.001263331
     32        6          -0.000527068    0.001055777   -0.000411490
     33        6           0.002964746   -0.001539900   -0.000193585
     34        6          -0.001270668   -0.000041680    0.000493147
     35        6           0.000482750    0.000688697   -0.001337619
     36        6          -0.000370524    0.000221360   -0.001102305
     37        6           0.001146818    0.000027727    0.000496304
     38        6          -0.002535348   -0.001688156    0.000632224
     39        6           0.000446140    0.000956736   -0.000837224
     40        6           0.000406856   -0.000486761    0.001309157
     41        7           0.001475341   -0.000743683    0.000004881
     42        7           0.001299701    0.000968088    0.000546707
     43        7          -0.001346866   -0.000994664    0.000317613
     44        6          -0.000719349   -0.003531848   -0.000433310
     45        6          -0.000200286    0.000348474    0.000626201
     46        6           0.000537034   -0.000119264   -0.000560075
     47        6          -0.003336008    0.000609874   -0.001099258
     48        6          -0.003407216   -0.001176999    0.000484480
     49        6           0.000369734    0.000281303    0.000639771
     50        6          -0.000012661   -0.000464985   -0.000626975
     51        6          -0.001336714    0.003414596   -0.000336238
     52        6           0.000517412    0.003328319   -0.001451063
     53        6           0.000087258   -0.000639201   -0.000470033
     54        6          -0.000416197    0.000377861    0.000537567
     55        6           0.003611265   -0.000174197    0.000439232
     56        6           0.000387055    0.000537412    0.000367287
     57        6           0.000279255    0.000356795    0.000134582
     58        6          -0.000856329   -0.001232544   -0.000475415
     59        6           0.000861353    0.000378308    0.000652790
     60        6           0.000834215    0.000822935    0.000039012
     61        6          -0.001513416   -0.000407546   -0.000416168
     62        6           0.000443040    0.000146945    0.000130999
     63        6           0.000702202    0.000221379    0.000091159
     64        6           0.000739754   -0.000100322    0.000135792
     65        6           0.000491382   -0.000072795   -0.000034611
     66        6          -0.001609533    0.000147216    0.000004284
     67        6           0.000914219   -0.000635589    0.000298499
     68        6           0.001014022   -0.000243226   -0.000367288
     69        6          -0.001131679    0.001104109    0.000074000
     70        6           0.000346613   -0.000336994   -0.000012404
     71        6           0.000581701   -0.000461828   -0.000209610
     72        6          -0.000421787   -0.000625624    0.000032466
     73        6          -0.000275963   -0.000389654    0.000141983
     74        6           0.000856269    0.001320661   -0.000376507
     75        6          -0.000969091   -0.000611933   -0.000145572
     76        6          -0.000714692   -0.000695472    0.000592513
     77        6           0.001517956    0.000491530   -0.000214137
     78        6          -0.000444697   -0.000178607    0.000064249
     79        6          -0.000682863   -0.000204808    0.000218320
     80        8           0.002254311    0.001446163   -0.000632991
     81       15          -0.004220280   -0.002497997    0.000299150
     82        8           0.000602999    0.000047428   -0.000793801
     83        8          -0.000519482   -0.000089456   -0.001177658
     84        6          -0.001478513    0.000479343    0.000218087
     85        6           0.000501813   -0.000257152    0.000416884
     86        6           0.001038091   -0.001183101   -0.000689784
     87        6           0.000084380   -0.000161629   -0.000437057
     88        1          -0.000182408    0.000140423   -0.000692313
     89        1           0.000497303   -0.000607074    0.000023722
     90        1          -0.001028773   -0.000128833    0.000316336
     91        1          -0.000094966    0.000197305   -0.000097430
     92        1          -0.000989746   -0.000503182    0.000089096
     93        1           0.000548586    0.000577431   -0.000327985
     94        1           0.000045582    0.001214927   -0.000720476
     95        1           0.000510068    0.000698120   -0.000413009
     96        1           0.000446988    0.000203267   -0.000068180
     97        1           0.000668166    0.000744547    0.000185527
     98        1          -0.000429429   -0.000189997   -0.000426392
     99        1          -0.000481924   -0.000367036    0.000023195
    100        1           0.000804132    0.000429206   -0.000017411
    101        1           0.000617540   -0.000382267   -0.000413865
    102        1          -0.000547388    0.000182656    0.000267652
    103        1          -0.000491707    0.000290473   -0.000220983
    104        1           0.000707024   -0.000320851    0.000504641
    105        1          -0.000665707   -0.000321689    0.000245147
    106        1           0.000388780    0.000312616   -0.000368314
    107        1           0.000439454    0.000379343    0.000115232
    108        1          -0.000461550   -0.000547883   -0.000100238
    109        1           0.000238347   -0.000238335    0.000157662
    110        1           0.000124376    0.000091596    0.000117534
    111        1           0.000176174    0.000129352    0.000171063
    112        1           0.000508688   -0.000124422    0.000015669
    113        1           0.000018023    0.000485709    0.000153837
    114        1           0.000239145    0.000157950   -0.000023450
    115        1           0.000158860    0.000108977   -0.000009157
    116        1          -0.000073991    0.000349340   -0.000107262
    117        1          -0.000041480   -0.000354014    0.000137299
    118        1           0.000167629   -0.000078039    0.000066661
    119        1           0.000247173   -0.000103416    0.000097531
    120        1           0.000135104   -0.000505815   -0.000085959
    121        1           0.000482937    0.000206814    0.000080885
    122        1           0.000227671   -0.000108695   -0.000103987
    123        1           0.000171080   -0.000070964   -0.000063714
    124        1           0.000225364    0.000257380   -0.000134150
    125        1          -0.000289077    0.000144439   -0.000185925
    126        1          -0.000141538   -0.000131184   -0.000032305
    127        1          -0.000201508   -0.000198177   -0.000048893
    128        1          -0.000511797    0.000115938    0.000041702
    129        1          -0.000024090   -0.000520577    0.000065001
    130        1          -0.000217343   -0.000126066    0.000153986
    131        1          -0.000143159   -0.000087497    0.000099491
    132        1           0.000128100   -0.000267933    0.000229308
    133        1           0.000234235    0.000155152    0.001514271
    134        1           0.000368754    0.000007379    0.000387049
    135        1          -0.000078722    0.000058820   -0.000140590
    136        1          -0.000017012    0.000118990   -0.000029509
    137        1          -0.000088645   -0.000039833    0.000014803
    138        1          -0.000284149    0.000079036    0.000156441
    139        1          -0.000091041    0.000054888    0.000412318
    140        1          -0.000133504    0.000060826    0.000077228
    141        1          -0.000130298    0.000245960    0.000161753
    142        1           0.000032669    0.000065312    0.000124211
    143       17           0.001419511   -0.001325023   -0.003015732
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.005012789 RMS     0.000954516

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.002709926 RMS     0.000534668
 Search for a local minimum.
 Step number  10 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points    9   10
 DE= -4.16D-03 DEPred=-3.56D-03 R= 1.17D+00
 TightC=F SS=  1.41D+00  RLast= 7.47D-01 DXNew= 4.0363D+00 2.2419D+00
 Trust test= 1.17D+00 RLast= 7.47D-01 DXMaxT set to 2.40D+00
 ITU=  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00416   0.00421   0.00492   0.01108   0.01539
     Eigenvalues ---    0.01615   0.01883   0.02386   0.02586   0.02605
     Eigenvalues ---    0.02610   0.02655   0.02688   0.02702   0.02703
     Eigenvalues ---    0.02707   0.02712   0.02715   0.02717   0.02723
     Eigenvalues ---    0.02725   0.02728   0.02729   0.02733   0.02738
     Eigenvalues ---    0.02754   0.02769   0.02770   0.02773   0.02774
     Eigenvalues ---    0.02774   0.02779   0.02783   0.02785   0.02786
     Eigenvalues ---    0.02789   0.02791   0.02791   0.02791   0.02792
     Eigenvalues ---    0.02792   0.02793   0.02793   0.02794   0.02800
     Eigenvalues ---    0.02801   0.02802   0.02803   0.02803   0.02804
     Eigenvalues ---    0.02806   0.02807   0.02807   0.02808   0.02808
     Eigenvalues ---    0.02810   0.02811   0.02813   0.02816   0.02817
     Eigenvalues ---    0.02817   0.02818   0.02818   0.02818   0.02819
     Eigenvalues ---    0.02819   0.02827   0.02828   0.02834   0.02843
     Eigenvalues ---    0.02844   0.02845   0.02845   0.02846   0.02847
     Eigenvalues ---    0.02850   0.02854   0.02860   0.02868   0.02868
     Eigenvalues ---    0.02869   0.02869   0.02871   0.02872   0.02873
     Eigenvalues ---    0.02875   0.02876   0.02877   0.02878   0.02878
     Eigenvalues ---    0.02879   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02886   0.02886   0.02887
     Eigenvalues ---    0.02892   0.02893   0.02894   0.02894   0.02897
     Eigenvalues ---    0.02897   0.02898   0.02898   0.02899   0.02899
     Eigenvalues ---    0.02909   0.02910   0.02914   0.02932   0.02942
     Eigenvalues ---    0.02942   0.02959   0.03024   0.03024   0.03025
     Eigenvalues ---    0.03075   0.03133   0.03133   0.03134   0.03146
     Eigenvalues ---    0.03148   0.03158   0.03219   0.03439   0.03801
     Eigenvalues ---    0.04064   0.04667   0.05098   0.05386   0.05520
     Eigenvalues ---    0.05560   0.05606   0.05639   0.05717   0.05764
     Eigenvalues ---    0.07241   0.08581   0.09079   0.10510   0.11412
     Eigenvalues ---    0.11430   0.12523   0.13248   0.13657   0.15547
     Eigenvalues ---    0.15734   0.15934   0.15957   0.15974   0.15976
     Eigenvalues ---    0.15977   0.15979   0.15982   0.15987   0.15989
     Eigenvalues ---    0.15995   0.15996   0.15996   0.15998   0.15998
     Eigenvalues ---    0.15998   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16008   0.16027   0.16040   0.16086
     Eigenvalues ---    0.16483   0.17413   0.18642   0.18886   0.20684
     Eigenvalues ---    0.20936   0.21995   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22002   0.22002   0.22002
     Eigenvalues ---    0.22019   0.22419   0.22435   0.22489   0.22600
     Eigenvalues ---    0.22600   0.22602   0.22602   0.22602   0.22696
     Eigenvalues ---    0.22957   0.22960   0.22992   0.23445   0.23506
     Eigenvalues ---    0.23603   0.23981   0.23999   0.24037   0.24106
     Eigenvalues ---    0.24467   0.24486   0.24488   0.24497   0.24530
     Eigenvalues ---    0.24532   0.24566   0.24752   0.24841   0.24980
     Eigenvalues ---    0.24981   0.24983   0.24984   0.24987   0.24988
     Eigenvalues ---    0.24995   0.24998   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25015   0.25172   0.25591   0.26303   0.27170
     Eigenvalues ---    0.28750   0.29142   0.29778   0.29788   0.30957
     Eigenvalues ---    0.32015   0.32098   0.32128   0.32141   0.32148
     Eigenvalues ---    0.32150   0.32178   0.32223   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33293   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33464   0.33544   0.33561   0.33565   0.33577
     Eigenvalues ---    0.33584   0.33586   0.33595   0.33632   0.33635
     Eigenvalues ---    0.33638   0.33641   0.33645   0.33665   0.33702
     Eigenvalues ---    0.33719   0.33728   0.33819   0.33829   0.33840
     Eigenvalues ---    0.33856   0.33880   0.33897   0.33919   0.33941
     Eigenvalues ---    0.33947   0.33954   0.33959   0.33998   0.34494
     Eigenvalues ---    0.34901   0.34920   0.35033   0.38955   0.41602
     Eigenvalues ---    0.42779   0.44065   0.44431   0.44434   0.44440
     Eigenvalues ---    0.44473   0.46182   0.47792   0.48976   0.48987
     Eigenvalues ---    0.49053   0.49234   0.49435   0.49718   0.49733
     Eigenvalues ---    0.49743   0.49781   0.50008   0.50026   0.50067
     Eigenvalues ---    0.50207   0.50248   0.50403   0.50408   0.50605
     Eigenvalues ---    0.50608   0.50612   0.50743   0.51584   0.52168
     Eigenvalues ---    0.52346   0.52505   0.52855   0.53121   0.53942
     Eigenvalues ---    0.54093   0.54117   0.54204   0.54206   0.54210
     Eigenvalues ---    0.54355   0.54562   0.55109   0.55209   0.55315
     Eigenvalues ---    0.55344   0.55356   0.55361   0.55387   0.55412
     Eigenvalues ---    0.55494   0.55524   0.55539   0.55655   0.55690
     Eigenvalues ---    0.55708   0.55723   0.55769   0.55938   0.55946
     Eigenvalues ---    0.55989   0.56146   0.56151   0.56152   0.56249
     Eigenvalues ---    0.56270   0.56308   0.56365   0.56661   0.56662
     Eigenvalues ---    0.56665   0.56671   0.56672   0.56682   0.56877
     Eigenvalues ---    0.56901   0.56913   0.57020   0.57173   0.57176
     Eigenvalues ---    0.57188   0.57194   0.57195   0.57215   0.57624
     Eigenvalues ---    0.61310   0.63277   0.66050   0.66057   0.67648
     Eigenvalues ---    0.67660   0.67663   0.69478   0.70039   0.70092
     Eigenvalues ---    0.73519   0.76747   0.80139
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    10    9
 RFO step:  Lambda=-2.83055970D-03.
 DidBck=F Rises=F RFO-DIIS coefs:    1.87967   -0.87967
 Iteration  1 RMS(Cart)=  0.19327966 RMS(Int)=  0.00292642
 Iteration  2 RMS(Cart)=  0.01149205 RMS(Int)=  0.00026088
 Iteration  3 RMS(Cart)=  0.00003297 RMS(Int)=  0.00026073
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00026073
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64300  -0.00012   0.00061  -0.00012   0.00056   2.64356
    R2        2.66620  -0.00095  -0.00174  -0.00091  -0.00250   2.66370
    R3        2.80275  -0.00073  -0.01322   0.00321  -0.01001   2.79273
    R4        2.65074  -0.00004  -0.00278   0.00057  -0.00229   2.64845
    R5        2.04718   0.00004   0.00209   0.00064   0.00273   2.04991
    R6        2.66871  -0.00081   0.00390  -0.00366   0.00004   2.66875
    R7        2.77640   0.00033  -0.00581   0.00223  -0.00384   2.77256
    R8        2.64758   0.00033  -0.00263   0.00150  -0.00120   2.64638
    R9        2.77164  -0.00011   0.00085  -0.00052   0.00049   2.77213
   R10        2.61570  -0.00018   0.00425  -0.00102   0.00331   2.61901
   R11        2.04688   0.00007  -0.00070   0.00101   0.00031   2.04718
   R12        2.05052  -0.00007   0.00140  -0.00037   0.00103   2.05155
   R13        2.68940   0.00012   0.00017   0.00103   0.00091   2.69032
   R14        2.64490  -0.00012  -0.00148   0.00040  -0.00119   2.64371
   R15        2.74352  -0.00004   0.01040   0.00203   0.01258   2.75610
   R16        2.66491  -0.00049  -0.00035  -0.00002  -0.00041   2.66449
   R17        2.77156  -0.00082   0.01200  -0.00355   0.00878   2.78034
   R18        2.61054   0.00159   0.00633   0.00404   0.01072   2.62126
   R19        5.03331  -0.00194  -0.06820  -0.04591  -0.11368   4.91963
   R20        2.46786  -0.00255  -0.00142  -0.00484  -0.00628   2.46158
   R21        2.64815  -0.00031  -0.00053  -0.00090  -0.00139   2.64676
   R22        2.04400   0.00018   0.00106   0.00142   0.00248   2.04649
   R23        2.66622  -0.00132  -0.00174  -0.00273  -0.00431   2.66191
   R24        2.80383  -0.00161  -0.00784  -0.00026  -0.00811   2.79572
   R25        2.60879   0.00013   0.00318   0.00010   0.00339   2.61219
   R26        2.04725   0.00027   0.00036   0.00137   0.00173   2.04898
   R27        2.04344   0.00028  -0.00304   0.00039  -0.00265   2.04079
   R28        2.67766   0.00257   0.00329   0.00607   0.00938   2.68705
   R29        3.39730   0.00013  -0.02504   0.01255  -0.01207   3.38523
   R30        6.11169  -0.00065  -0.00968  -0.05480  -0.06502   6.04667
   R31        2.67552   0.00093  -0.00232   0.00326   0.00073   2.67625
   R32        2.65300   0.00120  -0.00415   0.00445   0.00031   2.65331
   R33        2.59304  -0.00080   0.00846  -0.00279   0.00545   2.59849
   R34        2.65958  -0.00029  -0.00406   0.00093  -0.00316   2.65642
   R35        2.61731   0.00001   0.00328  -0.00045   0.00286   2.62017
   R36        2.04311  -0.00131   0.00100  -0.00512  -0.00412   2.03899
   R37        2.67422  -0.00103  -0.00352  -0.00168  -0.00517   2.66905
   R38        2.04902   0.00017   0.00048   0.00081   0.00129   2.05030
   R39        2.63194  -0.00149   0.00307  -0.00400  -0.00094   2.63101
   R40        2.80466  -0.00087  -0.00925   0.00169  -0.00756   2.79710
   R41        2.04788   0.00012   0.00025   0.00080   0.00105   2.04894
   R42        2.65786  -0.00037  -0.00119  -0.00014  -0.00133   2.65654
   R43        2.65841  -0.00059  -0.00097  -0.00081  -0.00178   2.65664
   R44        2.66002  -0.00054  -0.00079  -0.00089  -0.00167   2.65835
   R45        2.66125  -0.00065  -0.00073  -0.00095  -0.00168   2.65958
   R46        2.65784  -0.00051  -0.00010  -0.00083  -0.00093   2.65692
   R47        2.65923  -0.00065  -0.00075  -0.00093  -0.00168   2.65756
   R48        2.62756  -0.00019   0.00094  -0.00003   0.00091   2.62848
   R49        2.04846   0.00034   0.00026   0.00155   0.00181   2.05027
   R50        2.64779  -0.00045   0.00032  -0.00059  -0.00027   2.64753
   R51        2.04931   0.00033  -0.00068   0.00102   0.00034   2.04965
   R52        2.64870  -0.00064   0.00060  -0.00113  -0.00053   2.64817
   R53        2.67521  -0.00014   0.00298   0.00068   0.00366   2.67887
   R54        2.62671  -0.00006   0.00098   0.00023   0.00121   2.62792
   R55        2.04922   0.00035  -0.00080   0.00119   0.00039   2.04961
   R56        2.04913   0.00019   0.00066   0.00074   0.00140   2.05053
   R57        2.62919  -0.00019   0.00082  -0.00004   0.00078   2.62997
   R58        2.05017   0.00010   0.00096   0.00029   0.00125   2.05142
   R59        2.64725  -0.00062   0.00097  -0.00110  -0.00013   2.64712
   R60        2.04953   0.00035  -0.00074   0.00109   0.00036   2.04989
   R61        2.64815  -0.00077   0.00120  -0.00165  -0.00045   2.64770
   R62        2.67945  -0.00006   0.00262   0.00087   0.00349   2.68294
   R63        2.62828  -0.00002   0.00089   0.00030   0.00119   2.62948
   R64        2.04963   0.00035  -0.00084   0.00122   0.00038   2.05001
   R65        2.05068   0.00010   0.00084   0.00058   0.00142   2.05210
   R66        2.62924  -0.00019   0.00048   0.00005   0.00053   2.62977
   R67        2.04986   0.00021   0.00051   0.00087   0.00138   2.05124
   R68        2.64674  -0.00052   0.00057  -0.00078  -0.00021   2.64653
   R69        2.04950   0.00034  -0.00070   0.00103   0.00033   2.04983
   R70        2.64854  -0.00073   0.00068  -0.00137  -0.00070   2.64784
   R71        2.67811  -0.00011   0.00264   0.00078   0.00341   2.68152
   R72        2.62755  -0.00003   0.00084   0.00031   0.00115   2.62871
   R73        2.04940   0.00036  -0.00085   0.00126   0.00041   2.04981
   R74        2.04988   0.00012   0.00067   0.00054   0.00121   2.05109
   R75        2.64245   0.00110  -0.00673   0.00390  -0.00282   2.63963
   R76        2.64216   0.00110  -0.00705   0.00417  -0.00287   2.63928
   R77        2.64472   0.00107  -0.00743   0.00419  -0.00323   2.64149
   R78        2.64487   0.00103  -0.00699   0.00394  -0.00304   2.64183
   R79        2.64338   0.00108  -0.00681   0.00393  -0.00287   2.64051
   R80        2.64306   0.00108  -0.00715   0.00415  -0.00300   2.64006
   R81        2.68159  -0.00085   0.00316  -0.00207   0.00110   2.68269
   R82        2.64244  -0.00083   0.00084  -0.00128  -0.00043   2.64201
   R83        2.73682   0.00027   0.00106   0.00022   0.00127   2.73809
   R84        2.64630  -0.00076  -0.00003  -0.00079  -0.00082   2.64548
   R85        2.68153  -0.00084   0.00314  -0.00209   0.00106   2.68259
   R86        2.64635  -0.00077   0.00006  -0.00087  -0.00080   2.64555
   R87        2.64242  -0.00083   0.00090  -0.00137  -0.00046   2.64195
   R88        2.68222  -0.00083   0.00308  -0.00210   0.00098   2.68321
   R89        2.64274  -0.00084   0.00087  -0.00145  -0.00057   2.64218
   R90        2.73650   0.00026   0.00122   0.00017   0.00138   2.73788
   R91        2.64675  -0.00081   0.00009  -0.00096  -0.00087   2.64588
   R92        2.68248  -0.00088   0.00304  -0.00207   0.00098   2.68346
   R93        2.64660  -0.00078  -0.00001  -0.00084  -0.00085   2.64575
   R94        2.64271  -0.00085   0.00073  -0.00127  -0.00053   2.64218
   R95        2.68199  -0.00085   0.00314  -0.00214   0.00101   2.68300
   R96        2.64260  -0.00085   0.00085  -0.00144  -0.00057   2.64203
   R97        2.73661   0.00028   0.00118   0.00022   0.00139   2.73800
   R98        2.64657  -0.00077   0.00004  -0.00086  -0.00082   2.64575
   R99        2.68213  -0.00086   0.00307  -0.00206   0.00102   2.68315
   R100       2.64650  -0.00077  -0.00001  -0.00082  -0.00083   2.64567
   R101       2.64258  -0.00083   0.00073  -0.00124  -0.00051   2.64208
   R102       2.62954   0.00004  -0.00031   0.00044   0.00012   2.62966
   R103       2.05256   0.00000  -0.00023   0.00019  -0.00003   2.05252
   R104       2.65684  -0.00058   0.00155  -0.00114   0.00040   2.65724
   R105       2.05181  -0.00015  -0.00007  -0.00027  -0.00033   2.05148
   R106       2.63165   0.00020  -0.00119   0.00117  -0.00003   2.63162
   R107       2.05200   0.00002  -0.00025   0.00026   0.00000   2.05201
   R108       2.04869   0.00023  -0.00052   0.00079   0.00026   2.04895
   R109       2.63162   0.00020  -0.00124   0.00122  -0.00003   2.63160
   R110       2.04871   0.00022  -0.00043   0.00066   0.00024   2.04895
   R111       2.65689  -0.00059   0.00160  -0.00122   0.00038   2.65727
   R112       2.05201   0.00002  -0.00027   0.00028   0.00001   2.05202
   R113       2.62959   0.00002  -0.00024   0.00038   0.00013   2.62972
   R114       2.05184  -0.00015  -0.00007  -0.00026  -0.00033   2.05151
   R115       2.05255   0.00000  -0.00023   0.00019  -0.00004   2.05251
   R116       2.62952   0.00004  -0.00022   0.00041   0.00018   2.62970
   R117       2.05269  -0.00000  -0.00024   0.00018  -0.00005   2.05263
   R118       2.65732  -0.00060   0.00155  -0.00121   0.00033   2.65766
   R119       2.05195  -0.00015  -0.00007  -0.00028  -0.00034   2.05161
   R120       2.63141   0.00019  -0.00114   0.00115   0.00002   2.63143
   R121       2.05213   0.00002  -0.00029   0.00028  -0.00001   2.05212
   R122       2.04881   0.00023  -0.00043   0.00066   0.00024   2.04904
   R123       2.63135   0.00019  -0.00111   0.00112   0.00001   2.63136
   R124       2.04874   0.00025  -0.00068   0.00098   0.00030   2.04904
   R125       2.65738  -0.00059   0.00147  -0.00112   0.00033   2.65771
   R126       2.05210   0.00002  -0.00025   0.00025  -0.00000   2.05210
   R127       2.62943   0.00004  -0.00030   0.00048   0.00017   2.62960
   R128       2.05195  -0.00016  -0.00006  -0.00029  -0.00035   2.05159
   R129       2.05268   0.00000  -0.00024   0.00019  -0.00004   2.05263
   R130       2.62953   0.00005  -0.00022   0.00043   0.00020   2.62972
   R131       2.05262  -0.00000  -0.00024   0.00018  -0.00005   2.05256
   R132       2.65715  -0.00060   0.00158  -0.00123   0.00035   2.65750
   R133       2.05189  -0.00015  -0.00007  -0.00027  -0.00034   2.05155
   R134       2.63152   0.00020  -0.00115   0.00117   0.00002   2.63153
   R135       2.05210   0.00002  -0.00028   0.00028   0.00000   2.05210
   R136       2.04881   0.00023  -0.00040   0.00068   0.00028   2.04909
   R137       2.63146   0.00019  -0.00116   0.00114  -0.00002   2.63144
   R138       2.04874   0.00024  -0.00062   0.00091   0.00029   2.04903
   R139       2.65717  -0.00059   0.00152  -0.00114   0.00037   2.65754
   R140       2.05206   0.00002  -0.00028   0.00026  -0.00001   2.05204
   R141       2.62948   0.00003  -0.00026   0.00044   0.00017   2.62965
   R142       2.05188  -0.00015  -0.00006  -0.00028  -0.00034   2.05153
   R143       2.05262   0.00000  -0.00024   0.00020  -0.00004   2.05257
   R144       2.78347  -0.00271   0.00250  -0.00446  -0.00196   2.78151
   R145       3.00286   0.00111   0.00906  -0.00155   0.00764   3.01050
   R146       3.04390   0.00136  -0.00281   0.00464   0.00183   3.04573
   R147       2.77776   0.00166  -0.00645   0.00587  -0.00043   2.77733
   R148       2.75720   0.00081  -0.00381   0.00362  -0.00019   2.75701
   R149       2.85806   0.00042  -0.00079   0.00156   0.00077   2.85883
   R150       2.06181   0.00002  -0.00022  -0.00007   0.00018   2.06199
   R151       2.06190  -0.00063   0.00037  -0.00106  -0.00053   2.06136
   R152       2.06833  -0.00007  -0.00037  -0.00004  -0.00041   2.06792
   R153       2.06762  -0.00012   0.00056  -0.00046   0.00010   2.06772
   R154       2.06733  -0.00009   0.00030  -0.00027   0.00003   2.06736
   R155       2.86381  -0.00012   0.00206  -0.00142   0.00064   2.86445
   R156       2.06910  -0.00002  -0.00022   0.00006  -0.00017   2.06893
   R157       2.06599   0.00014  -0.00030   0.00077   0.00046   2.06645
   R158       2.06666  -0.00011   0.00003  -0.00022  -0.00019   2.06647
   R159       2.06872  -0.00021   0.00015  -0.00067  -0.00052   2.06821
   R160       2.06672  -0.00012   0.00003  -0.00032  -0.00029   2.06643
   R161       5.35903   0.00005  -0.03607   0.02967  -0.00601   5.35302
   R162       5.67503  -0.00005  -0.01849   0.03104   0.01172   5.68674
    A1        2.05118   0.00149   0.00249   0.00652   0.00901   2.06019
    A2        2.11717  -0.00099  -0.00084  -0.00545  -0.00629   2.11088
    A3        2.11483  -0.00050  -0.00164  -0.00107  -0.00271   2.11211
    A4        2.14021  -0.00135  -0.00135  -0.00670  -0.00836   2.13185
    A5        2.06501   0.00047  -0.00424   0.00385  -0.00035   2.06466
    A6        2.07608   0.00089   0.00458   0.00379   0.00840   2.08448
    A7        2.06633   0.00037   0.00042   0.00220   0.00274   2.06907
    A8        2.14196  -0.00034   0.00397  -0.00336   0.00143   2.14339
    A9        2.07286  -0.00002  -0.00328   0.00079  -0.00361   2.06925
   A10        2.08545   0.00045  -0.00087   0.00348   0.00256   2.08800
   A11        2.10650  -0.00025  -0.00279  -0.00291  -0.00641   2.10009
   A12        2.09114  -0.00021   0.00358  -0.00064   0.00355   2.09469
   A13        2.10996  -0.00046   0.00048  -0.00306  -0.00279   2.10717
   A14        2.07184  -0.00057   0.00766  -0.00591   0.00185   2.07368
   A15        2.10119   0.00103  -0.00812   0.00898   0.00096   2.10215
   A16        2.11122  -0.00049  -0.00223  -0.00174  -0.00396   2.10726
   A17        2.09964  -0.00081  -0.00134  -0.00564  -0.00699   2.09265
   A18        2.07217   0.00131   0.00351   0.00750   0.01101   2.08318
   A19        2.09305   0.00058   0.00118   0.00354   0.00374   2.09679
   A20        2.12097  -0.00068  -0.00575  -0.00582  -0.01068   2.11029
   A21        2.06414   0.00012   0.00380   0.00305   0.00688   2.07102
   A22        2.09501  -0.00124   0.00353  -0.00862  -0.00577   2.08925
   A23        2.06550   0.00041  -0.00226  -0.00095  -0.00351   2.06199
   A24        2.11752   0.00083  -0.00269   0.00914   0.00706   2.12458
   A25        2.03569   0.00080  -0.01649   0.00392  -0.01366   2.02203
   A26        2.12738  -0.00097   0.00384  -0.00183   0.00125   2.12863
   A27        1.81590  -0.00060  -0.01471   0.00130  -0.01339   1.80251
   A28        2.05978   0.00017  -0.00555   0.00159  -0.00514   2.05463
   A29        1.43254   0.00085   0.04577  -0.00296   0.04382   1.47637
   A30        2.05965   0.00005  -0.00039   0.00010  -0.00128   2.05837
   A31        2.07358  -0.00027  -0.00109  -0.00052  -0.00154   2.07204
   A32        2.14952   0.00024   0.00147   0.00118   0.00325   2.15277
   A33        2.15298  -0.00107   0.00041  -0.00591  -0.00595   2.14703
   A34        2.06465   0.00041   0.00331   0.00130   0.00476   2.06941
   A35        2.06261   0.00066  -0.00461   0.00487   0.00042   2.06304
   A36        2.04370   0.00125   0.00044   0.00484   0.00514   2.04884
   A37        2.11529  -0.00053  -0.00217  -0.00090  -0.00301   2.11228
   A38        2.12361  -0.00072   0.00173  -0.00405  -0.00226   2.12135
   A39        2.10903  -0.00021  -0.00037  -0.00064  -0.00108   2.10796
   A40        2.11030  -0.00092   0.00116  -0.00785  -0.00666   2.10364
   A41        2.06362   0.00113  -0.00087   0.00850   0.00766   2.07128
   A42        2.12485  -0.00047   0.00236  -0.00123   0.00082   2.12567
   A43        2.09320  -0.00036   0.00868  -0.00384   0.00494   2.09814
   A44        2.06482   0.00082  -0.01056   0.00464  -0.00582   2.05899
   A45        2.06948  -0.00028   0.00436  -0.00184   0.00295   2.07243
   A46        2.07512  -0.00086   0.00193  -0.00539  -0.00359   2.07154
   A47        2.05661   0.00140  -0.00608   0.01364   0.00696   2.06357
   A48        1.92252   0.00058   0.04168  -0.00176   0.03995   1.96247
   A49        1.50446  -0.00023  -0.01052   0.00702  -0.00361   1.50085
   A50        2.07460  -0.00168   0.00172  -0.00505  -0.00333   2.07127
   A51        2.13984   0.00262  -0.00416   0.01124   0.00704   2.14688
   A52        2.06635  -0.00093   0.00299  -0.00596  -0.00304   2.06331
   A53        2.13660   0.00070  -0.00152   0.00359   0.00185   2.13845
   A54        2.08978   0.00075  -0.00070   0.00527   0.00460   2.09438
   A55        2.05668  -0.00145   0.00215  -0.00871  -0.00641   2.05028
   A56        2.06737   0.00090   0.00201   0.00015   0.00208   2.06945
   A57        2.10464  -0.00041   0.00006   0.00021   0.00023   2.10487
   A58        2.09919   0.00051   0.00313   0.00163   0.00471   2.10389
   A59        2.07935  -0.00010  -0.00299  -0.00188  -0.00492   2.07442
   A60        2.13327   0.00033  -0.00342   0.00181  -0.00166   2.13162
   A61        2.05237   0.00077   0.00244   0.00583   0.00820   2.06057
   A62        2.09727  -0.00110   0.00075  -0.00747  -0.00679   2.09047
   A63        2.03771   0.00082   0.00286   0.00173   0.00458   2.04229
   A64        2.12227  -0.00071  -0.00005  -0.00247  -0.00251   2.11977
   A65        2.12319  -0.00011  -0.00279   0.00072  -0.00207   2.12112
   A66        2.13434  -0.00056  -0.00129  -0.00319  -0.00455   2.12980
   A67        2.01945   0.00077   0.00724   0.00408   0.01135   2.03079
   A68        2.12883  -0.00021  -0.00605  -0.00082  -0.00684   2.12198
   A69        2.11534  -0.00042  -0.00268  -0.00059  -0.00328   2.11206
   A70        2.12339  -0.00084  -0.00131  -0.00481  -0.00613   2.11726
   A71        2.04446   0.00126   0.00400   0.00540   0.00941   2.05387
   A72        2.12409  -0.00075   0.00082  -0.00443  -0.00362   2.12046
   A73        2.12035  -0.00073  -0.00202  -0.00265  -0.00469   2.11566
   A74        2.03873   0.00148   0.00121   0.00709   0.00832   2.04705
   A75        2.12186  -0.00073  -0.00234  -0.00296  -0.00530   2.11656
   A76        2.11793  -0.00052   0.00108  -0.00298  -0.00191   2.11603
   A77        2.04339   0.00125   0.00125   0.00595   0.00721   2.05059
   A78        2.12519  -0.00061  -0.00152  -0.00292  -0.00446   2.12073
   A79        2.10186  -0.00066   0.00034  -0.00605  -0.00576   2.09609
   A80        2.05520   0.00127   0.00078   0.00896   0.00969   2.06489
   A81        2.10546  -0.00112   0.00309  -0.00545  -0.00235   2.10310
   A82        2.09031   0.00104  -0.00610   0.00761   0.00150   2.09181
   A83        2.08734   0.00008   0.00306  -0.00221   0.00084   2.08817
   A84        2.06623   0.00196  -0.00419   0.00963   0.00544   2.07167
   A85        2.10849  -0.00100   0.00191  -0.00470  -0.00278   2.10570
   A86        2.10846  -0.00096   0.00228  -0.00494  -0.00266   2.10581
   A87        2.10508  -0.00110   0.00312  -0.00542  -0.00230   2.10278
   A88        2.08736   0.00008   0.00321  -0.00228   0.00093   2.08829
   A89        2.09058   0.00102  -0.00630   0.00765   0.00135   2.09193
   A90        2.12548  -0.00061  -0.00166  -0.00292  -0.00460   2.12088
   A91        2.09845  -0.00058  -0.00086  -0.00483  -0.00574   2.09271
   A92        2.05763   0.00120   0.00187   0.00809   0.00991   2.06753
   A93        2.12206  -0.00054  -0.00298  -0.00217  -0.00516   2.11690
   A94        2.09413  -0.00052  -0.00294  -0.00344  -0.00639   2.08774
   A95        2.06553   0.00107   0.00554   0.00603   0.01155   2.07708
   A96        2.10436  -0.00109   0.00265  -0.00532  -0.00268   2.10169
   A97        2.09153   0.00103  -0.00524   0.00745   0.00221   2.09373
   A98        2.08717   0.00006   0.00265  -0.00218   0.00047   2.08765
   A99        2.06883   0.00198  -0.00316   0.00947   0.00631   2.07514
   A100       2.10819  -0.00107   0.00132  -0.00460  -0.00329   2.10490
   A101       2.10616  -0.00091   0.00184  -0.00487  -0.00302   2.10314
   A102       2.10402  -0.00111   0.00286  -0.00559  -0.00272   2.10130
   A103       2.08642   0.00009   0.00255  -0.00198   0.00058   2.08699
   A104       2.09261   0.00101  -0.00540   0.00754   0.00214   2.09476
   A105       2.12249  -0.00051  -0.00333  -0.00178  -0.00512   2.11737
   A106       2.09446  -0.00056  -0.00277  -0.00416  -0.00697   2.08749
   A107       2.06472   0.00108   0.00553   0.00654   0.01204   2.07675
   A108       2.12298  -0.00051  -0.00133  -0.00246  -0.00379   2.11918
   A109       2.09870  -0.00051  -0.00202  -0.00402  -0.00605   2.09264
   A110       2.06036   0.00102   0.00300   0.00664   0.00962   2.06998
   A111       2.10440  -0.00106   0.00272  -0.00513  -0.00241   2.10199
   A112       2.09144   0.00099  -0.00553   0.00727   0.00173   2.09317
   A113       2.08726   0.00006   0.00286  -0.00219   0.00067   2.08792
   A114       2.06805   0.00187  -0.00395   0.00918   0.00523   2.07327
   A115       2.10783  -0.00100   0.00177  -0.00449  -0.00272   2.10511
   A116       2.10731  -0.00087   0.00218  -0.00469  -0.00251   2.10480
   A117       2.10490  -0.00109   0.00326  -0.00550  -0.00224   2.10266
   A118       2.08680   0.00010   0.00266  -0.00192   0.00074   2.08754
   A119       2.09137   0.00098  -0.00588   0.00737   0.00149   2.09286
   A120       2.12250  -0.00047  -0.00191  -0.00203  -0.00395   2.11855
   A121       2.09567  -0.00047  -0.00038  -0.00413  -0.00453   2.09114
   A122       2.06383   0.00094   0.00187   0.00644   0.00828   2.07211
   A123       2.19483   0.00014  -0.00111   0.00018  -0.00095   2.19387
   A124       2.19610  -0.00009  -0.00144   0.00031  -0.00115   2.19495
   A125       1.89225  -0.00005   0.00254  -0.00049   0.00210   1.89435
   A126       2.19593   0.00000  -0.00165   0.00052  -0.00116   2.19477
   A127       2.19518   0.00006  -0.00109   0.00018  -0.00094   2.19423
   A128       1.89208  -0.00006   0.00274  -0.00070   0.00210   1.89418
   A129       2.19490   0.00010  -0.00093   0.00006  -0.00090   2.19401
   A130       2.19604  -0.00004  -0.00170   0.00052  -0.00121   2.19482
   A131       1.89224  -0.00006   0.00263  -0.00057   0.00211   1.89435
   A132       1.90167  -0.00033   0.00073  -0.00098  -0.00029   1.90138
   A133       2.26363  -0.00079   0.00422  -0.00443  -0.00031   2.26333
   A134       2.11749   0.00111  -0.00433   0.00526   0.00085   2.11834
   A135       1.86469   0.00036  -0.00206   0.00130  -0.00075   1.86394
   A136       2.08839  -0.00050   0.00266  -0.00305  -0.00039   2.08800
   A137       2.32995   0.00015  -0.00056   0.00179   0.00121   2.33115
   A138       1.86469   0.00035  -0.00196   0.00123  -0.00071   1.86398
   A139       2.32994   0.00015  -0.00066   0.00189   0.00120   2.33114
   A140       2.08839  -0.00050   0.00266  -0.00307  -0.00042   2.08797
   A141       1.90165  -0.00032   0.00056  -0.00086  -0.00035   1.90130
   A142       2.26370  -0.00079   0.00444  -0.00464  -0.00031   2.26339
   A143       2.11745   0.00110  -0.00434   0.00534   0.00092   2.11837
   A144       1.90239  -0.00037   0.00066  -0.00105  -0.00044   1.90195
   A145       2.26272  -0.00073   0.00435  -0.00458  -0.00035   2.26236
   A146       2.11777   0.00110  -0.00439   0.00549   0.00102   2.11879
   A147       1.86387   0.00039  -0.00197   0.00135  -0.00060   1.86327
   A148       2.08797  -0.00050   0.00265  -0.00313  -0.00048   2.08749
   A149       2.33119   0.00011  -0.00064   0.00183   0.00116   2.33236
   A150       1.86398   0.00037  -0.00201   0.00130  -0.00069   1.86329
   A151       2.33099   0.00015  -0.00055   0.00182   0.00124   2.33224
   A152       2.08808  -0.00051   0.00260  -0.00309  -0.00049   2.08759
   A153       1.90229  -0.00034   0.00079  -0.00111  -0.00037   1.90192
   A154       2.26312  -0.00080   0.00396  -0.00431  -0.00046   2.26266
   A155       2.11749   0.00113  -0.00416   0.00528   0.00104   2.11853
   A156       1.90204  -0.00034   0.00061  -0.00097  -0.00041   1.90163
   A157       2.26320  -0.00078   0.00435  -0.00471  -0.00049   2.26272
   A158       2.11763   0.00112  -0.00433   0.00553   0.00112   2.11875
   A159       1.86421   0.00037  -0.00198   0.00131  -0.00065   1.86356
   A160       2.08815  -0.00051   0.00262  -0.00315  -0.00053   2.08762
   A161       2.33067   0.00014  -0.00061   0.00189   0.00125   2.33193
   A162       1.86424   0.00036  -0.00201   0.00129  -0.00070   1.86354
   A163       2.33062   0.00016  -0.00051   0.00185   0.00131   2.33192
   A164       2.08818  -0.00052   0.00256  -0.00308  -0.00053   2.08765
   A165       1.90204  -0.00033   0.00075  -0.00105  -0.00034   1.90170
   A166       2.26335  -0.00080   0.00395  -0.00433  -0.00049   2.26286
   A167       2.11747   0.00112  -0.00411   0.00524   0.00106   2.11853
   A168       2.07936   0.00010  -0.00023   0.00042   0.00018   2.07954
   A169       2.10309  -0.00043   0.00155  -0.00264  -0.00109   2.10201
   A170       2.10073   0.00033  -0.00131   0.00222   0.00091   2.10164
   A171       2.10419  -0.00000  -0.00095   0.00061  -0.00035   2.10384
   A172       2.09104   0.00011   0.00004   0.00056   0.00061   2.09165
   A173       2.08795  -0.00011   0.00091  -0.00118  -0.00026   2.08769
   A174       2.11871   0.00008   0.00047   0.00037   0.00083   2.11955
   A175       2.08375   0.00023  -0.00109   0.00130   0.00021   2.08397
   A176       2.08070  -0.00031   0.00061  -0.00165  -0.00104   2.07966
   A177       2.05822  -0.00077   0.00259  -0.00373  -0.00112   2.05709
   A178       2.11933  -0.00002   0.00268  -0.00216   0.00052   2.11984
   A179       2.10564   0.00079  -0.00527   0.00588   0.00061   2.10625
   A180       2.05816  -0.00079   0.00265  -0.00374  -0.00108   2.05708
   A181       2.11940  -0.00001   0.00259  -0.00210   0.00049   2.11988
   A182       2.10561   0.00081  -0.00523   0.00583   0.00060   2.10621
   A183       2.11873   0.00009   0.00040   0.00046   0.00085   2.11958
   A184       2.08065  -0.00032   0.00065  -0.00170  -0.00105   2.07960
   A185       2.08378   0.00023  -0.00107   0.00127   0.00020   2.08398
   A186       2.10420  -0.00001  -0.00092   0.00055  -0.00038   2.10382
   A187       2.08802  -0.00011   0.00088  -0.00113  -0.00024   2.08778
   A188       2.09095   0.00011   0.00003   0.00058   0.00062   2.09157
   A189       2.07933   0.00010  -0.00025   0.00046   0.00021   2.07954
   A190       2.10311  -0.00043   0.00157  -0.00265  -0.00108   2.10203
   A191       2.10073   0.00033  -0.00131   0.00219   0.00088   2.10161
   A192       2.07952   0.00010  -0.00030   0.00049   0.00018   2.07970
   A193       2.10312  -0.00044   0.00167  -0.00274  -0.00107   2.10204
   A194       2.10054   0.00034  -0.00135   0.00225   0.00090   2.10144
   A195       2.10422  -0.00001  -0.00086   0.00056  -0.00032   2.10390
   A196       2.09100   0.00011  -0.00001   0.00057   0.00057   2.09157
   A197       2.08795  -0.00010   0.00086  -0.00113  -0.00026   2.08770
   A198       2.11879   0.00008   0.00039   0.00041   0.00079   2.11958
   A199       2.08361   0.00023  -0.00100   0.00126   0.00026   2.08386
   A200       2.08078  -0.00031   0.00061  -0.00165  -0.00104   2.07973
   A201       2.05824  -0.00079   0.00252  -0.00370  -0.00117   2.05707
   A202       2.11828  -0.00003   0.00285  -0.00221   0.00063   2.11891
   A203       2.10667   0.00081  -0.00537   0.00591   0.00054   2.10720
   A204       2.05804  -0.00077   0.00267  -0.00382  -0.00114   2.05690
   A205       2.11833  -0.00002   0.00269  -0.00218   0.00051   2.11884
   A206       2.10681   0.00079  -0.00535   0.00599   0.00063   2.10744
   A207       2.11879   0.00008   0.00040   0.00039   0.00078   2.11957
   A208       2.08071  -0.00030   0.00065  -0.00166  -0.00101   2.07971
   A209       2.08366   0.00022  -0.00106   0.00129   0.00024   2.08390
   A210       2.10433  -0.00001  -0.00094   0.00063  -0.00033   2.10400
   A211       2.08787  -0.00010   0.00094  -0.00119  -0.00024   2.08763
   A212       2.09098   0.00011  -0.00001   0.00056   0.00056   2.09154
   A213       2.07943   0.00010  -0.00020   0.00040   0.00019   2.07963
   A214       2.10306  -0.00043   0.00157  -0.00263  -0.00107   2.10199
   A215       2.10069   0.00033  -0.00135   0.00223   0.00088   2.10157
   A216       2.07948   0.00010  -0.00030   0.00051   0.00021   2.07969
   A217       2.10306  -0.00043   0.00159  -0.00267  -0.00108   2.10198
   A218       2.10064   0.00033  -0.00128   0.00216   0.00088   2.10152
   A219       2.10421  -0.00001  -0.00084   0.00055  -0.00031   2.10390
   A220       2.09099   0.00011  -0.00000   0.00058   0.00058   2.09157
   A221       2.08798  -0.00011   0.00084  -0.00112  -0.00028   2.08770
   A222       2.11873   0.00008   0.00038   0.00041   0.00078   2.11950
   A223       2.08359   0.00023  -0.00105   0.00128   0.00023   2.08382
   A224       2.08085  -0.00032   0.00066  -0.00167  -0.00101   2.07984
   A225       2.05826  -0.00079   0.00250  -0.00367  -0.00116   2.05709
   A226       2.11859  -0.00002   0.00273  -0.00217   0.00055   2.11914
   A227       2.10634   0.00081  -0.00523   0.00584   0.00061   2.10695
   A228       2.05810  -0.00079   0.00264  -0.00386  -0.00121   2.05689
   A229       2.11877  -0.00001   0.00265  -0.00207   0.00057   2.11934
   A230       2.10631   0.00079  -0.00528   0.00593   0.00064   2.10695
   A231       2.11879   0.00008   0.00039   0.00041   0.00079   2.11957
   A232       2.08079  -0.00033   0.00074  -0.00180  -0.00106   2.07973
   A233       2.08359   0.00024  -0.00114   0.00141   0.00028   2.08387
   A234       2.10426  -0.00000  -0.00090   0.00065  -0.00028   2.10398
   A235       2.08794  -0.00011   0.00089  -0.00118  -0.00028   2.08766
   A236       2.09098   0.00011   0.00001   0.00054   0.00055   2.09153
   A237       2.07940   0.00009  -0.00023   0.00038   0.00015   2.07955
   A238       2.10316  -0.00043   0.00165  -0.00269  -0.00104   2.10212
   A239       2.10062   0.00034  -0.00141   0.00231   0.00090   2.10152
   A240       2.00979   0.00035   0.00140   0.00324   0.00505   2.01484
   A241       1.82283  -0.00042   0.00691  -0.00271   0.00219   1.82502
   A242       1.71768  -0.00114   0.00375  -0.00107   0.00326   1.72094
   A243       2.07090  -0.00015  -0.00759  -0.00829  -0.01537   2.05553
   A244       2.02686   0.00020   0.00538  -0.00259   0.00248   2.02935
   A245       1.76640   0.00102  -0.00862   0.01340   0.00537   1.77177
   A246       2.14972  -0.00014  -0.04684   0.00544  -0.04317   2.10655
   A247       2.04913   0.00152  -0.00632   0.00884   0.00252   2.05165
   A248       1.87090   0.00031   0.00715  -0.00016   0.00790   1.87880
   A249       1.86778   0.00005   0.00015  -0.00008  -0.00132   1.86646
   A250       1.89086  -0.00016  -0.00178  -0.00225  -0.00386   1.88700
   A251       1.97550  -0.00029  -0.00001   0.00068   0.00123   1.97673
   A252       1.97494  -0.00017  -0.00073   0.00144   0.00001   1.97495
   A253       1.87943   0.00026  -0.00468   0.00014  -0.00424   1.87519
   A254       1.90591  -0.00021   0.00200  -0.00179   0.00020   1.90611
   A255       1.94048   0.00005   0.00033   0.00036   0.00069   1.94117
   A256       1.94070  -0.00000   0.00118  -0.00042   0.00076   1.94146
   A257       1.88927   0.00009  -0.00066   0.00075   0.00008   1.88936
   A258       1.88979   0.00007   0.00007  -0.00015  -0.00008   1.88971
   A259       1.89630   0.00000  -0.00298   0.00128  -0.00170   1.89460
   A260       1.88102  -0.00011   0.00338  -0.00183   0.00155   1.88257
   A261       1.89339  -0.00013   0.00021  -0.00200  -0.00179   1.89160
   A262       1.89276  -0.00003   0.00224  -0.00057   0.00168   1.89443
   A263       1.94334   0.00032  -0.00234   0.00342   0.00107   1.94442
   A264       1.95119   0.00023  -0.00555   0.00340  -0.00215   1.94903
   A265       1.90060  -0.00031   0.00233  -0.00264  -0.00032   1.90028
   A266       1.93932  -0.00011   0.00125  -0.00100   0.00025   1.93957
   A267       1.91464  -0.00031   0.00154  -0.00266  -0.00113   1.91351
   A268       1.93524  -0.00001  -0.00079   0.00040  -0.00039   1.93485
   A269       1.88989   0.00020  -0.00062   0.00125   0.00063   1.89052
   A270       1.89310   0.00007  -0.00055   0.00067   0.00011   1.89321
   A271       1.89037   0.00017  -0.00090   0.00147   0.00058   1.89095
   A272       1.91892  -0.00037   0.01075  -0.00191   0.00809   1.92701
   A273       1.74480  -0.00010   0.00027  -0.00210  -0.00182   1.74297
   A274       1.54888   0.00079   0.01690   0.01331   0.02947   1.57835
   A275       1.71044   0.00063  -0.00847   0.00823  -0.00171   1.70872
   A276       1.12836   0.00046   0.01738   0.00633   0.02307   1.15144
   A277       1.30725   0.00035  -0.00744   0.00501  -0.00409   1.30317
   A278       0.61044  -0.00003   0.00176  -0.00363  -0.00167   0.60877
    D1        0.01145  -0.00004  -0.00472   0.00128  -0.00345   0.00800
    D2        3.08628   0.00021  -0.02644   0.01803  -0.00838   3.07790
    D3       -3.13269   0.00003  -0.00102   0.00152   0.00050  -3.13219
    D4       -0.05787   0.00027  -0.02274   0.01827  -0.00442  -0.06229
    D5       -0.03210   0.00005  -0.01092   0.00325  -0.00762  -0.03973
    D6        3.09010   0.00023  -0.01442   0.01092  -0.00351   3.08659
    D7        3.11204  -0.00001  -0.01462   0.00301  -0.01158   3.10046
    D8       -0.04894   0.00016  -0.01812   0.01068  -0.00746  -0.05640
    D9        2.63528  -0.00097  -0.15566  -0.00760  -0.16325   2.47204
   D10       -0.50597  -0.00097  -0.15703  -0.00674  -0.16374  -0.66972
   D11       -0.50896  -0.00090  -0.15180  -0.00734  -0.15915  -0.66811
   D12        2.63297  -0.00091  -0.15317  -0.00647  -0.15965   2.47332
   D13        0.03868  -0.00009   0.02280  -0.00923   0.01353   0.05221
   D14       -3.03362  -0.00018   0.00640  -0.00286   0.00346  -3.03017
   D15       -3.03574  -0.00032   0.04486  -0.02608   0.01884  -3.01690
   D16        0.17515  -0.00042   0.02845  -0.01971   0.00877   0.18391
   D17       -0.06868   0.00021  -0.02537   0.01258  -0.01274  -0.08142
   D18        3.05730  -0.00004  -0.03500   0.00729  -0.02767   3.02964
   D19        3.00642   0.00028  -0.00925   0.00630  -0.00291   3.00351
   D20       -0.15078   0.00003  -0.01889   0.00100  -0.01784  -0.16862
   D21       -3.02098   0.00033   0.07783  -0.00197   0.07584  -2.94514
   D22        0.22997   0.00007   0.08644  -0.01053   0.07606   0.30603
   D23        0.19015   0.00023   0.06118   0.00437   0.06553   0.25568
   D24       -2.84208  -0.00004   0.06979  -0.00419   0.06575  -2.77634
   D25        0.04983  -0.00023   0.01062  -0.00864   0.00185   0.05167
   D26       -3.11304  -0.00018   0.01125  -0.00850   0.00265  -3.11039
   D27       -3.07629   0.00002   0.02019  -0.00337   0.01682  -3.05948
   D28        0.04402   0.00007   0.02082  -0.00323   0.01762   0.06165
   D29       -0.17703  -0.00018  -0.03808  -0.00731  -0.04524  -0.22226
   D30        2.93372   0.00057  -0.03840   0.01916  -0.01906   2.91466
   D31        2.94891  -0.00043  -0.04777  -0.01258  -0.06023   2.88867
   D32       -0.22354   0.00032  -0.04808   0.01388  -0.03405  -0.25759
   D33        0.00169   0.00008   0.00792   0.00046   0.00837   0.01006
   D34       -3.12081  -0.00007   0.01141  -0.00694   0.00447  -3.11634
   D35       -3.11827   0.00005   0.00708   0.00051   0.00754  -3.11073
   D36        0.04241  -0.00010   0.01056  -0.00690   0.00364   0.04605
   D37        0.10682  -0.00037  -0.04459  -0.00357  -0.04785   0.05897
   D38       -2.92726  -0.00041  -0.02819   0.00041  -0.02752  -2.95478
   D39       -3.14060  -0.00017  -0.05346   0.00416  -0.04916   3.09343
   D40        0.10850  -0.00021  -0.03706   0.00814  -0.02882   0.07968
   D41        2.99275   0.00046   0.02016   0.00385   0.02381   3.01656
   D42       -0.06487   0.00035   0.03427  -0.00013   0.03405  -0.03082
   D43       -0.04123   0.00017   0.02876  -0.00461   0.02419  -0.01704
   D44       -3.09886   0.00006   0.04287  -0.00860   0.03444  -3.06442
   D45       -0.43024   0.00003  -0.00900  -0.00356  -0.01229  -0.44253
   D46        3.08507   0.00001   0.05258  -0.01489   0.03758   3.12264
   D47        1.10708   0.00090   0.03237  -0.00539   0.02786   1.13494
   D48        2.60058   0.00004  -0.02586  -0.00835  -0.03408   2.56650
   D49       -0.16730   0.00002   0.03572  -0.01967   0.01579  -0.15151
   D50       -2.14529   0.00091   0.01551  -0.01017   0.00608  -2.13921
   D51       -0.09056   0.00014   0.01654  -0.00562   0.01074  -0.07982
   D52        3.02364  -0.00017   0.03203  -0.02428   0.00771   3.03135
   D53       -3.12320   0.00023   0.03283  -0.00043   0.03235  -3.09085
   D54       -0.00899  -0.00008   0.04831  -0.01909   0.02932   0.02033
   D55        0.46191   0.00047   0.04997   0.01045   0.05992   0.52182
   D56       -2.64739  -0.00031   0.05035  -0.01721   0.03253  -2.61486
   D57       -3.03845   0.00023  -0.00737   0.02054   0.01377  -3.02468
   D58        0.13543  -0.00055  -0.00699  -0.00713  -0.01361   0.12182
   D59       -1.31463   0.00076   0.04304   0.01058   0.05365  -1.26099
   D60        1.85925  -0.00002   0.04342  -0.01709   0.02626   1.88551
   D61        2.62327   0.00043  -0.04163   0.00519  -0.03684   2.58643
   D62       -0.95096   0.00140  -0.04258   0.02457  -0.01901  -0.96997
   D63       -0.13969   0.00028   0.02256  -0.00674   0.01561  -0.12408
   D64        2.56927   0.00125   0.02160   0.01264   0.03344   2.60270
   D65        2.44469  -0.00146   0.01286  -0.02006  -0.00766   2.43702
   D66        1.85431  -0.00150   0.00341  -0.01802  -0.01399   1.84031
   D67       -1.82123  -0.00044   0.00616  -0.01668  -0.01218  -1.83341
   D68       -2.41161  -0.00048  -0.00329  -0.01465  -0.01851  -2.43012
   D69        3.13268  -0.00030  -0.01093  -0.01107  -0.02245   3.11023
   D70       -0.04145   0.00049  -0.01130   0.01682   0.00514  -0.03631
   D71       -0.04733  -0.00002   0.00118  -0.00172  -0.00050  -0.04783
   D72        3.13063  -0.00000   0.00136   0.00167   0.00308   3.13371
   D73        3.01039   0.00008  -0.01263   0.00210  -0.01051   2.99988
   D74       -0.09484   0.00009  -0.01245   0.00549  -0.00693  -0.10177
   D75        0.06804  -0.00007  -0.02329   0.00437  -0.01886   0.04918
   D76       -3.09686  -0.00009  -0.02791   0.00552  -0.02234  -3.11921
   D77       -3.11011  -0.00008  -0.02356   0.00103  -0.02247  -3.13258
   D78        0.00818  -0.00011  -0.02817   0.00219  -0.02596  -0.01778
   D79        2.76663  -0.00158  -0.12946  -0.04341  -0.17287   2.59376
   D80       -0.38051  -0.00157  -0.12804  -0.04333  -0.17137  -0.55189
   D81       -0.33692  -0.00160  -0.12924  -0.04005  -0.16929  -0.50621
   D82        2.79913  -0.00159  -0.12783  -0.03997  -0.16780   2.63133
   D83        0.00037   0.00005   0.01462  -0.00046   0.01412   0.01449
   D84       -3.11426   0.00037  -0.00110   0.01803   0.01692  -3.09734
   D85       -3.11852   0.00009   0.01909  -0.00138   0.01773  -3.10079
   D86        0.05003   0.00041   0.00337   0.01711   0.02053   0.07056
   D87        0.06378   0.00001  -0.02047   0.01025  -0.01038   0.05340
   D88       -3.00218  -0.00012  -0.02868   0.00695  -0.02188  -3.02406
   D89       -2.64977  -0.00039  -0.02149  -0.00425  -0.02552  -2.67529
   D90        0.56745  -0.00052  -0.02970  -0.00755  -0.03702   0.53044
   D91       -0.96480   0.00026  -0.01269   0.00909  -0.00333  -0.96813
   D92        2.25242   0.00013  -0.02090   0.00579  -0.01482   2.23760
   D93        0.12422  -0.00041   0.01559  -0.02579  -0.01013   0.11409
   D94       -2.17801  -0.00011   0.01877  -0.01479   0.00478  -2.17323
   D95        2.29100  -0.00076   0.02526  -0.02803  -0.00236   2.28863
   D96        2.83636   0.00014   0.01721  -0.01033   0.00663   2.84299
   D97        0.53412   0.00044   0.02039   0.00067   0.02155   0.55567
   D98       -1.28005  -0.00021   0.02688  -0.01256   0.01440  -1.26565
   D99        0.90225  -0.00058  -0.02381  -0.01388  -0.03801   0.86424
   D100      -1.39999  -0.00028  -0.02064  -0.00288  -0.02309  -1.42308
   D101       3.06902  -0.00092  -0.01415  -0.01611  -0.03024   3.03878
   D102      -0.95265  -0.00098  -0.01994  -0.01848  -0.03883  -0.99148
   D103      -1.57708  -0.00088  -0.02931  -0.01345  -0.04259  -1.61967
   D104       1.11208   0.00050  -0.02530  -0.00139  -0.02737   1.08471
   D105       0.48765   0.00060  -0.03467   0.00363  -0.03113   0.45652
   D106       0.03205  -0.00013   0.00309  -0.00084   0.00251   0.03456
   D107      -3.09191  -0.00034   0.01017  -0.01081  -0.00055  -3.09246
   D108       3.10123   0.00015   0.01060   0.00308   0.01389   3.11512
   D109      -0.02274  -0.00006   0.01769  -0.00689   0.01083  -0.01190
   D110       3.09004   0.00011  -0.00332   0.00686   0.00351   3.09355
   D111      -0.04670   0.00032  -0.01948   0.01793  -0.00162  -0.04831
   D112       0.02373   0.00001  -0.01143   0.00354  -0.00792   0.01581
   D113      -3.11300   0.00022  -0.02760   0.01460  -0.01305  -3.12605
   D114      -0.04246  -0.00021   0.01291  -0.01294  -0.00005  -0.04251
   D115       3.08182   0.00003   0.00593  -0.00302   0.00304   3.08486
   D116       0.00624   0.00005  -0.01050   0.00451  -0.00599   0.00025
   D117       3.11220   0.00007  -0.01414   0.00679  -0.00736   3.10485
   D118      -3.11852  -0.00018  -0.00372  -0.00512  -0.00897  -3.12749
   D119      -0.01256  -0.00015  -0.00736  -0.00284  -0.01034  -0.02290
   D120      -0.00815   0.00004  -0.00249   0.00235  -0.00011  -0.00826
   D121       3.10844   0.00013  -0.02010   0.01010  -0.01002   3.09843
   D122       3.12863  -0.00017   0.01357  -0.00858   0.00496   3.13359
   D123      -0.03795  -0.00008  -0.00404  -0.00083  -0.00495  -0.04291
   D124      -0.00856  -0.00007   0.00991  -0.00488   0.00504  -0.00352
   D125       3.13890  -0.00002   0.00662  -0.00236   0.00424  -3.14005
   D126      -3.12453  -0.00019   0.02796  -0.01301   0.01490  -3.10963
   D127       0.02293  -0.00015   0.02466  -0.01050   0.01410   0.03703
   D128       0.00939   0.00003  -0.00329   0.00140  -0.00193   0.00745
   D129      -3.09436  -0.00002   0.00034  -0.00112  -0.00086  -3.09522
   D130      -3.13807  -0.00002   0.00002  -0.00113  -0.00114  -3.13921
   D131       0.04136  -0.00007   0.00365  -0.00365  -0.00006   0.04130
   D132       0.42183   0.00113   0.12892   0.02229   0.15121   0.57304
   D133      -2.72247   0.00117   0.12806   0.02367   0.15173  -2.57074
   D134      -2.71361   0.00118   0.12543   0.02493   0.15035  -2.56326
   D135       0.42527   0.00122   0.12457   0.02631   0.15088   0.57615
   D136      -3.13159  -0.00003  -0.00169  -0.00027  -0.00196  -3.13355
   D137      -0.04906   0.00014  -0.00979   0.00816  -0.00161  -0.05067
   D138       0.00968  -0.00002  -0.00039  -0.00110  -0.00148   0.00820
   D139       3.09221   0.00014  -0.00849   0.00734  -0.00113   3.09107
   D140      -3.13621  -0.00001  -0.00018  -0.00029  -0.00047  -3.13669
   D141      -0.05499   0.00022  -0.01283   0.01176  -0.00103  -0.05603
   D142       0.00571  -0.00001  -0.00149   0.00054  -0.00095   0.00475
   D143       3.08693   0.00022  -0.01414   0.01259  -0.00151   3.08541
   D144      -3.13228  -0.00003  -0.00266  -0.00014  -0.00279  -3.13508
   D145      -0.03819  -0.00011  -0.01462  -0.00010  -0.01467  -0.05286
   D146       0.01461  -0.00003  -0.00400  -0.00018  -0.00419   0.01042
   D147       3.10870  -0.00011  -0.01596  -0.00015  -0.01607   3.09263
   D148      -3.13436   0.00000   0.00184  -0.00042   0.00143  -3.13293
   D149      -0.05538   0.00011  -0.01234   0.00639  -0.00590  -0.06128
   D150       0.00195   0.00001   0.00319  -0.00038   0.00282   0.00477
   D151       3.08093   0.00011  -0.01099   0.00644  -0.00450   3.07643
   D152       3.12872   0.00004   0.00205   0.00088   0.00293   3.13165
   D153       0.03966  -0.00000   0.01075  -0.00313   0.00759   0.04725
   D154      -0.01028   0.00001   0.00288  -0.00044   0.00244  -0.00784
   D155      -3.09934  -0.00004   0.01157  -0.00445   0.00710  -3.09224
   D156       3.13855  -0.00000  -0.00062   0.00001  -0.00061   3.13794
   D157       0.05003  -0.00011   0.01004  -0.00643   0.00358   0.05362
   D158      -0.00563   0.00003  -0.00144   0.00132  -0.00012  -0.00575
   D159      -3.09415  -0.00007   0.00921  -0.00512   0.00407  -3.09008
   D160      -0.01794   0.00004   0.00186   0.00020   0.00204  -0.01590
   D161       3.11037  -0.00014   0.00533  -0.00511   0.00018   3.11055
   D162      -3.11325   0.00016   0.01351   0.00055   0.01411  -3.09914
   D163       0.01506  -0.00002   0.01698  -0.00477   0.01225   0.02731
   D164       0.00422   0.00001   0.00121   0.00047   0.00168   0.00590
   D165      -3.13483  -0.00000   0.00128  -0.00022   0.00106  -3.13377
   D166      -3.12412   0.00018  -0.00216   0.00570   0.00354  -3.12058
   D167       0.02002   0.00017  -0.00210   0.00501   0.00291   0.02293
   D168       0.01208  -0.00005  -0.00194  -0.00106  -0.00300   0.00908
   D169      -3.11011   0.00006  -0.00354   0.00163  -0.00189  -3.11201
   D170      -3.13206  -0.00003  -0.00201  -0.00037  -0.00238  -3.13443
   D171       0.02894   0.00007  -0.00360   0.00233  -0.00127   0.02767
   D172       0.95245  -0.00041   0.04901  -0.01370   0.03531   0.98776
   D173      -2.18815  -0.00040   0.05152  -0.01398   0.03754  -2.15061
   D174      -2.18655  -0.00042   0.04909  -0.01443   0.03466  -2.15188
   D175       0.95604  -0.00042   0.05160  -0.01471   0.03689   0.99293
   D176      -0.01533   0.00005  -0.00033   0.00108   0.00075  -0.01458
   D177      -3.09572   0.00000   0.01360  -0.00515   0.00851  -3.08721
   D178       3.10682  -0.00007   0.00139  -0.00173  -0.00036   3.10646
   D179       0.02644  -0.00012   0.01532  -0.00796   0.00739   0.03383
   D180      -0.01641   0.00005   0.00174   0.00087   0.00260  -0.01381
   D181       3.10834  -0.00007   0.00530  -0.00233   0.00295   3.11129
   D182      -3.09987  -0.00006   0.00994  -0.00713   0.00283  -3.09703
   D183       0.02488  -0.00018   0.01350  -0.01033   0.00318   0.02807
   D184       0.00741  -0.00002  -0.00124   0.00009  -0.00115   0.00626
   D185      -3.13306  -0.00002  -0.00044  -0.00065  -0.00109  -3.13415
   D186      -3.11738   0.00009  -0.00469   0.00319  -0.00151  -3.11889
   D187       0.02533   0.00009  -0.00390   0.00245  -0.00145   0.02387
   D188       0.00776  -0.00002  -0.00053  -0.00069  -0.00123   0.00653
   D189      -3.11617   0.00007  -0.00164   0.00070  -0.00094  -3.11711
   D190      -3.13495  -0.00002  -0.00133   0.00005  -0.00129  -3.13623
   D191       0.02430   0.00006  -0.00243   0.00143  -0.00100   0.02330
   D192      -2.16353  -0.00033   0.05661  -0.01207   0.04454  -2.11899
   D193       0.98247  -0.00033   0.05706  -0.01188   0.04518   1.02765
   D194       0.97920  -0.00033   0.05743  -0.01283   0.04459   1.02380
   D195      -2.15798  -0.00033   0.05788  -0.01264   0.04524  -2.11274
   D196      -0.01451   0.00004   0.00195   0.00040   0.00235  -0.01216
   D197      -3.09673  -0.00013   0.01460  -0.01110   0.00354  -3.09319
   D198       3.10936  -0.00005   0.00315  -0.00109   0.00204   3.11140
   D199       0.02715  -0.00023   0.01579  -0.01259   0.00323   0.03038
   D200       0.01671  -0.00005  -0.00207  -0.00040  -0.00246   0.01425
   D201      -3.11056   0.00010  -0.00606   0.00406  -0.00197  -3.11252
   D202       3.10688  -0.00004  -0.01070   0.00323  -0.00751   3.09938
   D203      -0.02039   0.00011  -0.01468   0.00769  -0.00702  -0.02740
   D204      -0.00690   0.00002  -0.00022   0.00025   0.00003  -0.00686
   D205       3.13431   0.00002  -0.00038   0.00061   0.00023   3.13454
   D206       3.12041  -0.00012   0.00367  -0.00412  -0.00045   3.11996
   D207      -0.02157  -0.00012   0.00350  -0.00376  -0.00025  -0.02182
   D208      -0.00878   0.00003   0.00157   0.00066   0.00223  -0.00655
   D209       3.11646  -0.00009   0.00382  -0.00235   0.00147   3.11793
   D210       3.13319   0.00003   0.00173   0.00030   0.00203   3.13523
   D211      -0.02475  -0.00008   0.00398  -0.00271   0.00128  -0.02347
   D212       2.16946   0.00037  -0.05599   0.01355  -0.04244   2.12703
   D213      -0.97167   0.00038  -0.05452   0.01337  -0.04115  -1.01282
   D214      -0.97252   0.00037  -0.05616   0.01392  -0.04224  -1.01476
   D215       2.16953   0.00038  -0.05469   0.01374  -0.04095   2.12859
   D216       0.01525  -0.00006  -0.00072  -0.00152  -0.00224   0.01301
   D217       3.10471   0.00000  -0.01123   0.00450  -0.00676   3.09795
   D218      -3.10995   0.00006  -0.00307   0.00159  -0.00147  -3.11142
   D219      -0.02049   0.00012  -0.01359   0.00761  -0.00599  -0.02649
   D220      -3.13774  -0.00001   0.00097  -0.00068   0.00029  -3.13745
   D221       0.03069   0.00005  -0.01812   0.00573  -0.01245   0.01824
   D222       0.00008  -0.00001   0.00058  -0.00084  -0.00027  -0.00018
   D223      -3.11467   0.00006  -0.01852   0.00557  -0.01301  -3.12767
   D224       3.13729  -0.00001   0.00008  -0.00032  -0.00024   3.13705
   D225       0.02167   0.00005  -0.01869   0.00591  -0.01283   0.00884
   D226      -0.00053  -0.00002   0.00048  -0.00016   0.00032  -0.00021
   D227      -3.11615   0.00005  -0.01829   0.00607  -0.01228  -3.12843
   D228      -3.14066  -0.00001   0.00194  -0.00036   0.00157  -3.13909
   D229       0.03143   0.00005  -0.01587   0.00538  -0.01054   0.02088
   D230       0.00008  -0.00001  -0.00021  -0.00012  -0.00034  -0.00026
   D231      -3.11102   0.00004  -0.01801   0.00562  -0.01245  -3.12347
   D232       3.13967  -0.00002  -0.00087  -0.00049  -0.00137   3.13830
   D233       0.02821   0.00003  -0.01946   0.00539  -0.01413   0.01408
   D234      -0.00107  -0.00001   0.00127  -0.00073   0.00054  -0.00054
   D235      -3.11254   0.00004  -0.01731   0.00515  -0.01222  -3.12475
   D236      -3.14067   0.00002   0.00005   0.00080   0.00086  -3.13980
   D237      -0.02620  -0.00004   0.01922  -0.00559   0.01369  -0.01250
   D238       0.00054   0.00001  -0.00120   0.00095  -0.00024   0.00029
   D239       3.11501  -0.00005   0.01797  -0.00544   0.01259   3.12759
   D240       3.14129   0.00001  -0.00120   0.00021  -0.00098   3.14031
   D241      -0.02776  -0.00005   0.01703  -0.00561   0.01148  -0.01628
   D242       0.00009   0.00002   0.00006   0.00006   0.00012   0.00022
   D243       3.11423  -0.00004   0.01829  -0.00576   0.01258   3.12681
   D244       0.00091   0.00003  -0.00090   0.00090   0.00001   0.00092
   D245      -3.12384  -0.00006  -0.00269  -0.00146  -0.00413  -3.12797
   D246       3.11504  -0.00005   0.01541  -0.00446   0.01091   3.12594
   D247      -0.00971  -0.00014   0.01363  -0.00682   0.00676  -0.00295
   D248       3.11965   0.00000   0.00844  -0.00157   0.00689   3.12654
   D249      -0.01738   0.00007   0.00653   0.00091   0.00745  -0.00992
   D250       0.01182   0.00009  -0.01144   0.00490  -0.00651   0.00531
   D251      -3.12521   0.00016  -0.01334   0.00738  -0.00594  -3.13115
   D252      -0.00153  -0.00004   0.00166  -0.00132   0.00031  -0.00122
   D253       3.12000   0.00007   0.00375   0.00185   0.00557   3.12556
   D254       3.11988   0.00006   0.00385   0.00144   0.00526   3.12514
   D255      -0.04177   0.00016   0.00594   0.00461   0.01051  -0.03126
   D256       0.00089   0.00007  -0.00586   0.00324  -0.00261  -0.00172
   D257       3.13788   0.00007  -0.00304   0.00274  -0.00029   3.13759
   D258      -3.11847  -0.00005  -0.00822   0.00015  -0.00806  -3.12654
   D259       0.01851  -0.00004  -0.00539  -0.00035  -0.00573   0.01278
   D260       0.00162   0.00003  -0.00181   0.00127  -0.00052   0.00109
   D261       3.11607  -0.00005   0.01522  -0.00422   0.01095   3.12702
   D262      -3.12323  -0.00006  -0.00352  -0.00143  -0.00493  -3.12816
   D263      -0.00877  -0.00015   0.01351  -0.00692   0.00655  -0.00223
   D264      -3.11919  -0.00005  -0.00820  -0.00006  -0.00825  -3.12744
   D265       0.01891  -0.00005  -0.00496  -0.00087  -0.00582   0.01310
   D266       0.00031   0.00007  -0.00594   0.00347  -0.00246  -0.00216
   D267       3.13841   0.00007  -0.00270   0.00267  -0.00003   3.13838
   D268       3.11957   0.00001   0.00942  -0.00180   0.00764   3.12721
   D269      -0.02001   0.00009   0.00748   0.00110   0.00860  -0.01142
   D270       0.01133   0.00009  -0.01132   0.00482  -0.00647   0.00487
   D271      -3.12825   0.00017  -0.01326   0.00772  -0.00552  -3.13376
   D272       0.00038   0.00003  -0.00138   0.00147   0.00011   0.00049
   D273      -3.12507  -0.00006  -0.00355  -0.00111  -0.00464  -3.12970
   D274       3.11777  -0.00006   0.01611  -0.00447   0.01159   3.12936
   D275      -0.00767  -0.00015   0.01394  -0.00706   0.00684  -0.00084
   D276       3.12186  -0.00000   0.00948  -0.00224   0.00727   3.12913
   D277      -0.01669   0.00008   0.00706   0.00087   0.00794  -0.00876
   D278       0.00999   0.00009  -0.01182   0.00496  -0.00682   0.00316
   D279      -3.12857   0.00018  -0.01425   0.00807  -0.00616  -3.13473
   D280      -0.00069  -0.00004   0.00164  -0.00154   0.00008  -0.00061
   D281       3.12247   0.00006   0.00413   0.00132   0.00542   3.12789
   D282       3.12153   0.00006   0.00430   0.00149   0.00576   3.12729
   D283      -0.03849   0.00016   0.00678   0.00435   0.01110  -0.02739
   D284       0.00009   0.00008  -0.00599   0.00355  -0.00243  -0.00234
   D285       3.13815   0.00007  -0.00260   0.00260   0.00001   3.13816
   D286      -3.12016  -0.00005  -0.00886   0.00016  -0.00869  -3.12885
   D287       0.01789  -0.00005  -0.00547  -0.00078  -0.00625   0.01164
   D288       0.00076   0.00004  -0.00132   0.00106  -0.00024   0.00051
   D289       3.11895  -0.00005   0.01584  -0.00471   0.01109   3.13004
   D290      -3.12547  -0.00005  -0.00336  -0.00138  -0.00471  -3.13018
   D291      -0.00728  -0.00015   0.01381  -0.00715   0.00662  -0.00065
   D292      -3.12123  -0.00005  -0.00883   0.00048  -0.00834  -3.12957
   D293       0.01730  -0.00005  -0.00566  -0.00044  -0.00609   0.01121
   D294       0.00006   0.00008  -0.00614   0.00368  -0.00246  -0.00240
   D295       3.13859   0.00007  -0.00297   0.00276  -0.00021   3.13838
   D296       3.12246  -0.00001   0.00938  -0.00204   0.00736   3.12982
   D297      -0.01826   0.00008   0.00768   0.00080   0.00849  -0.00977
   D298       0.00962   0.00009  -0.01155   0.00496  -0.00656   0.00305
   D299      -3.13110   0.00017  -0.01325   0.00779  -0.00544  -3.13654
   D300      -0.00094  -0.00003   0.00185  -0.00156   0.00027  -0.00067
   D301       3.12474   0.00006   0.00380   0.00104   0.00481   3.12956
   D302      -3.11809   0.00006  -0.01570   0.00437  -0.01128  -3.12937
   D303       0.00759   0.00015  -0.01375   0.00697  -0.00674   0.00085
   D304      -3.12158   0.00000  -0.00976   0.00227  -0.00752  -3.12910
   D305       0.01871  -0.00008  -0.00781  -0.00075  -0.00857   0.01014
   D306      -0.01002  -0.00009   0.01163  -0.00492   0.00667  -0.00335
   D307       3.13027  -0.00018   0.01358  -0.00793   0.00563   3.13590
   D308       0.00097   0.00004  -0.00178   0.00157  -0.00019   0.00078
   D309      -3.12125  -0.00006  -0.00407  -0.00145  -0.00550  -3.12674
   D310      -3.12154  -0.00006  -0.00417  -0.00148  -0.00562  -3.12716
   D311       0.03942  -0.00016  -0.00646  -0.00450  -0.01093   0.02850
   D312      -0.00013  -0.00007   0.00591  -0.00343   0.00247   0.00234
   D313      -3.13837  -0.00007   0.00281  -0.00274   0.00007  -3.13830
   D314       3.12045   0.00005   0.00849  -0.00003   0.00845   3.12890
   D315      -0.01780   0.00005   0.00539   0.00066   0.00605  -0.01174
   D316      -0.00067  -0.00004   0.00107  -0.00101   0.00004  -0.00062
   D317      -3.11752   0.00005  -0.01560   0.00439  -0.01117  -3.12869
   D318       3.12477   0.00006   0.00295   0.00156   0.00449   3.12926
   D319       0.00791   0.00014  -0.01373   0.00697  -0.00672   0.00119
   D320       3.11998   0.00005   0.00864  -0.00013   0.00850   3.12849
   D321      -0.01786   0.00005   0.00545   0.00065   0.00610  -0.01176
   D322      -0.00027  -0.00007   0.00617  -0.00350   0.00266   0.00238
   D323      -3.13812  -0.00007   0.00298  -0.00272   0.00026  -3.13786
   D324      -3.12135  -0.00000  -0.00899   0.00167  -0.00735  -3.12869
   D325       0.01768  -0.00008  -0.00696  -0.00106  -0.00803   0.00965
   D326      -0.01015  -0.00009   0.01134  -0.00488   0.00643  -0.00372
   D327       3.12887  -0.00017   0.01338  -0.00760   0.00575   3.13463
   D328       0.00520   0.00004  -0.00317   0.00176  -0.00142   0.00377
   D329      -3.14080   0.00002  -0.00482   0.00180  -0.00302   3.13936
   D330      -3.13291   0.00004  -0.00643   0.00257  -0.00385  -3.13677
   D331       0.00428   0.00002  -0.00807   0.00261  -0.00545  -0.00118
   D332      -0.00248  -0.00009   0.00529  -0.00386   0.00143  -0.00105
   D333       3.13287  -0.00002   0.00258  -0.00073   0.00186   3.13473
   D334      -3.13968  -0.00007   0.00694  -0.00391   0.00303  -3.13666
   D335      -0.00433   0.00000   0.00423  -0.00078   0.00345  -0.00087
   D336      -0.00575   0.00003   0.00193   0.00055   0.00250  -0.00325
   D337       3.13385  -0.00005   0.00387  -0.00233   0.00156   3.13541
   D338      -3.14111  -0.00005   0.00464  -0.00258   0.00207  -3.13904
   D339      -0.00152  -0.00013   0.00658  -0.00546   0.00113  -0.00039
   D340      -0.00545   0.00003   0.00185   0.00044   0.00231  -0.00314
   D341      -3.13953  -0.00005   0.00475  -0.00287   0.00189  -3.13764
   D342       3.13162  -0.00004   0.00377  -0.00204   0.00175   3.13336
   D343      -0.00246  -0.00012   0.00667  -0.00535   0.00133  -0.00113
   D344      -0.00313  -0.00009   0.00558  -0.00388   0.00169  -0.00143
   D345      -3.13918  -0.00007   0.00708  -0.00389   0.00318  -3.13600
   D346       3.13093  -0.00001   0.00267  -0.00058   0.00211   3.13304
   D347      -0.00512   0.00001   0.00418  -0.00059   0.00359  -0.00153
   D348       0.00538   0.00004  -0.00345   0.00195  -0.00151   0.00387
   D349      -3.13161   0.00004  -0.00629   0.00246  -0.00383  -3.13544
   D350       3.14142   0.00002  -0.00495   0.00196  -0.00300   3.13843
   D351       0.00443   0.00002  -0.00779   0.00247  -0.00532  -0.00089
   D352       0.00448   0.00004  -0.00314   0.00166  -0.00148   0.00300
   D353      -3.14106   0.00002  -0.00494   0.00181  -0.00313   3.13899
   D354      -3.13405   0.00004  -0.00632   0.00259  -0.00373  -3.13778
   D355       0.00359   0.00002  -0.00812   0.00274  -0.00537  -0.00178
   D356      -0.00201  -0.00009   0.00532  -0.00386   0.00146  -0.00055
   D357       3.13356  -0.00001   0.00238  -0.00053   0.00186   3.13542
   D358      -3.13966  -0.00007   0.00712  -0.00401   0.00311  -3.13655
   D359      -0.00409   0.00001   0.00418  -0.00068   0.00350  -0.00059
   D360      -0.00501   0.00003   0.00200   0.00053   0.00255  -0.00246
   D361       3.13571  -0.00005   0.00370  -0.00229   0.00143   3.13714
   D362      -3.14059  -0.00005   0.00494  -0.00281   0.00215  -3.13844
   D363       0.00013  -0.00013   0.00664  -0.00562   0.00103   0.00116
   D364      -0.00500   0.00003   0.00212   0.00047   0.00261  -0.00239
   D365      -3.13961  -0.00004   0.00438  -0.00238   0.00200  -3.13761
   D366       3.13358  -0.00006   0.00456  -0.00263   0.00195   3.13553
   D367      -0.00103  -0.00013   0.00681  -0.00548   0.00134   0.00031
   D368      -0.00238  -0.00009   0.00547  -0.00383   0.00164  -0.00074
   D369      -3.13940  -0.00007   0.00666  -0.00359   0.00306  -3.13634
   D370       3.13222  -0.00002   0.00322  -0.00098   0.00224   3.13447
   D371      -0.00480   0.00001   0.00441  -0.00075   0.00366  -0.00113
   D372       0.00482   0.00004  -0.00342   0.00173  -0.00170   0.00312
   D373      -3.13324   0.00005  -0.00682   0.00269  -0.00414  -3.13737
   D374      -3.14135   0.00001  -0.00461   0.00149  -0.00312   3.13871
   D375       0.00377   0.00002  -0.00801   0.00245  -0.00556  -0.00179
   D376      -0.00477  -0.00004   0.00315  -0.00175   0.00141  -0.00335
   D377      -3.14156  -0.00002   0.00498  -0.00193   0.00306  -3.13850
   D378       3.13308  -0.00004   0.00635  -0.00254   0.00381   3.13689
   D379      -0.00371  -0.00002   0.00817  -0.00271   0.00545   0.00174
   D380       0.00240   0.00009  -0.00548   0.00385  -0.00163   0.00076
   D381      -3.13232   0.00001  -0.00244   0.00048  -0.00197  -3.13429
   D382       3.13920   0.00007  -0.00731   0.00403  -0.00327   3.13593
   D383       0.00449  -0.00001  -0.00427   0.00066  -0.00362   0.00087
   D384       0.00504  -0.00003  -0.00175  -0.00051  -0.00228   0.00275
   D385      -3.13401   0.00005  -0.00379   0.00220  -0.00161  -3.13561
   D386       3.13976   0.00005  -0.00479   0.00286  -0.00194   3.13783
   D387       0.00072   0.00013  -0.00683   0.00558  -0.00126  -0.00054
   D388       0.00527  -0.00003  -0.00203  -0.00051  -0.00255   0.00272
   D389       3.14056   0.00005  -0.00501   0.00277  -0.00225   3.13831
   D390      -3.13503   0.00005  -0.00398   0.00249  -0.00151  -3.13654
   D391       0.00025   0.00014  -0.00696   0.00577  -0.00121  -0.00095
   D392       0.00198   0.00010  -0.00547   0.00391  -0.00156   0.00043
   D393       3.13955   0.00007  -0.00720   0.00399  -0.00321   3.13634
   D394      -3.13329   0.00001  -0.00248   0.00063  -0.00186  -3.13515
   D395       0.00428  -0.00001  -0.00422   0.00072  -0.00351   0.00076
   D396      -0.00456  -0.00004   0.00341  -0.00185   0.00157  -0.00299
   D397       3.13370  -0.00004   0.00651  -0.00255   0.00396   3.13766
   D398       3.14107  -0.00002   0.00515  -0.00193   0.00323  -3.13889
   D399      -0.00386  -0.00002   0.00825  -0.00262   0.00563   0.00176
   D400       1.47988   0.00032   0.06943  -0.00296   0.06583   1.54571
   D401      -0.78653   0.00034   0.06705   0.00162   0.06890  -0.71763
   D402      -3.02595  -0.00069   0.07262  -0.00070   0.07152  -2.95442
   D403      -3.00597  -0.00026  -0.04973  -0.00305  -0.05368  -3.05966
   D404      -0.85144  -0.00051  -0.04284  -0.00111  -0.04397  -0.89542
   D405       1.41604   0.00024  -0.05607  -0.00282  -0.05796   1.35809
   D406       2.80526  -0.00011  -0.05384  -0.00352  -0.05635   2.74890
   D407      -1.35354  -0.00025  -0.04986  -0.00284  -0.05126  -1.40480
   D408       0.66851  -0.00000  -0.05615  -0.00385  -0.05878   0.60973
   D409       3.05502  -0.00013  -0.02759  -0.00279  -0.03037   3.02465
   D410      -1.12198   0.00012  -0.02832  -0.00089  -0.02921  -1.15119
   D411       0.93978  -0.00033  -0.02418  -0.00547  -0.02966   0.91012
   D412       3.12566   0.00002  -0.00499  -0.00210  -0.00747   3.11819
   D413      -1.07403   0.00004  -0.00433  -0.00209  -0.00681  -1.08084
   D414       1.04138   0.00007  -0.00709  -0.00050  -0.00797   1.03341
   D415       1.07032  -0.00007  -0.00977  -0.00228  -0.01170   1.05861
   D416      -3.12938  -0.00006  -0.00911  -0.00228  -0.01104  -3.14042
   D417      -1.01396  -0.00003  -0.01187  -0.00068  -0.01220  -1.02616
   D418      -1.07401  -0.00006  -0.00289  -0.00414  -0.00699  -1.08099
   D419       1.00948  -0.00005  -0.00223  -0.00414  -0.00632   1.00316
   D420       3.12490  -0.00002  -0.00498  -0.00254  -0.00749   3.11741
   D421       1.53575  -0.00050   0.00966  -0.01704  -0.00776   1.52799
   D422      -2.69027  -0.00025   0.01854  -0.01691   0.00181  -2.68846
   D423      -0.49389  -0.00047   0.01401  -0.01445  -0.00053  -0.49442
   D424      -1.57301   0.00036  -0.01266   0.01404   0.00308  -1.56993
   D425       2.63817   0.00018  -0.01995   0.01487  -0.00420   2.63397
   D426       0.44146   0.00048  -0.01584   0.01287  -0.00259   0.43887
   D427       1.05867  -0.00002   0.00096  -0.00158  -0.00061   1.05806
   D428      -3.13535  -0.00004   0.00198  -0.00238  -0.00041  -3.13576
   D429      -1.04816  -0.00003   0.00136  -0.00202  -0.00066  -1.04882
   D430      -1.01587   0.00002  -0.00004   0.00002  -0.00002  -1.01589
   D431       1.07329  -0.00001   0.00097  -0.00078   0.00019   1.07348
   D432      -3.12271   0.00000   0.00035  -0.00042  -0.00007  -3.12277
   D433       3.13704   0.00002   0.00261  -0.00144   0.00116   3.13819
   D434      -1.05699  -0.00000   0.00362  -0.00225   0.00137  -1.05562
   D435       1.03020   0.00001   0.00300  -0.00188   0.00111   1.03131
   D436      -1.55822   0.00020   0.03470   0.01129   0.04682  -1.51140
   D437      -1.45570   0.00019   0.03575   0.00534   0.04233  -1.41336
   D438       0.29033   0.00016  -0.00701   0.00777   0.00071   0.29105
   D439       1.05219   0.00020   0.05265   0.00233   0.05516   1.10735
   D440       0.89570   0.00003   0.05026  -0.00472   0.04634   0.94204
   D441      -0.27673  -0.00028   0.00785  -0.00761   0.00016  -0.27658
         Item               Value     Threshold  Converged?
 Maximum Force            0.002710     0.000450     NO 
 RMS     Force            0.000535     0.000300     NO 
 Maximum Displacement     1.008052     0.001800     NO 
 RMS     Displacement     0.196193     0.001200     NO 
 Predicted change in Energy=-1.888990D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.740251    2.839627    0.417782
      2          6           0       -1.998937    1.467975    0.510579
      3          6           0       -0.972952    0.513270    0.500500
      4          6           0        0.365602    0.961431    0.457504
      5          6           0        0.633857    2.329721    0.327313
      6          6           0       -0.398128    3.254444    0.301480
      7          6           0       -1.230906   -0.930473    0.459688
      8          6           0       -0.171377   -1.852710    0.691348
      9          6           0        1.154600   -1.356879    1.042148
     10          6           0        1.471138    0.005930    0.586888
     11          6           0       -2.478727   -1.426770    0.067500
     12          6           0       -2.730481   -2.790651   -0.127803
     13          6           0       -1.648070   -3.678372    0.028908
     14          6           0       -0.405042   -3.216255    0.418918
     15          7           0        2.214616   -2.213786    1.299344
     16          6           0        3.531237   -1.791453    0.967667
     17          6           0        3.715877   -0.486845    0.448478
     18          7           0        2.676838    0.399831    0.290360
     19          6           0        4.650791   -2.633733    1.060309
     20          6           0        5.904133   -2.187294    0.670055
     21          6           0        6.112941   -0.887384    0.158675
     22          6           0        4.996857   -0.061433    0.055855
     23          6           0       -2.842124    3.824154    0.442851
     24          6           0       -4.070650   -3.268219   -0.533508
     25          6           0        7.457392   -0.427009   -0.255311
     26          6           0       -4.231378   -4.414073   -1.333573
     27          6           0       -5.490835   -4.858967   -1.721545
     28          6           0       -6.643908   -4.180748   -1.305287
     29          6           0       -6.501565   -3.044004   -0.498234
     30          6           0       -5.238359   -2.594759   -0.128974
     31          6           0       -2.703131    5.049747    1.117252
     32          6           0       -3.740340    5.977017    1.152568
     33          6           0       -4.949951    5.713415    0.497143
     34          6           0       -5.099131    4.499457   -0.186335
     35          6           0       -4.063665    3.570147   -0.204977
     36          6           0        8.395719   -1.316933   -0.806997
     37          6           0        9.656406   -0.885192   -1.208074
     38          6           0       10.029167    0.455975   -1.054212
     39          6           0        9.107561    1.352967   -0.498020
     40          6           0        7.843353    0.917899   -0.113940
     41          7           0       -6.007372    6.660452    0.523071
     42          7           0       -7.929484   -4.636899   -1.691037
     43          7           0       11.316735    0.898570   -1.454016
     44          6           0       -8.447996   -5.913330   -1.454908
     45          6           0       -9.759521   -5.984817   -1.993520
     46          6           0      -10.041629   -4.691094   -2.581830
     47          6           0       -8.890537   -3.886519   -2.374926
     48          6           0       -7.294313    6.431983    1.015737
     49          6           0       -8.063813    7.615519    0.863412
     50          6           0       -7.197294    8.601024    0.249391
     51          6           0       -5.937731    7.974644    0.055441
     52          6           0       11.579885    1.904552   -2.387390
     53          6           0       12.985483    2.055875   -2.518427
     54          6           0       13.594911    1.095852   -1.620529
     55          6           0       12.533931    0.400786   -0.982396
     56          6           0      -11.142580   -4.161456   -3.265416
     57          6           0      -11.086508   -2.850190   -3.727877
     58          6           0       -9.938253   -2.066510   -3.516666
     59          6           0       -8.828696   -2.570493   -2.842717
     60          6           0       -7.872680   -7.002128   -0.792951
     61          6           0       -8.625668   -8.168324   -0.682142
     62          6           0       -9.925032   -8.255670   -1.212539
     63          6           0      -10.496650   -7.168103   -1.865971
     64          6           0       -7.379625    9.928414   -0.156800
     65          6           0       -6.317176   10.610357   -0.742158
     66          6           0       -5.075999    9.975658   -0.927946
     67          6           0       -4.869224    8.655657   -0.535679
     68          6           0       -7.835400    5.281081    1.596732
     69          6           0       -9.160793    5.328108    2.021055
     70          6           0       -9.936523    6.492281    1.876479
     71          6           0       -9.393566    7.637105    1.301222
     72          6           0       14.920560    0.781543   -1.298124
     73          6           0       15.172088   -0.212016   -0.356797
     74          6           0       14.110147   -0.890572    0.267295
     75          6           0       12.782896   -0.594987   -0.033075
     76          6           0       10.690773    2.681149   -3.136428
     77          6           0       11.227158    3.616447   -4.017659
     78          6           0       12.616934    3.778973   -4.158445
     79          6           0       13.498963    3.001586   -3.414061
     80          8           0        0.669655   -3.581125    3.139058
     81         15           0        2.020075   -3.466747    2.564774
     82          8           0        3.233794   -3.216869    3.565961
     83          8           0        2.549655   -4.738524    1.728232
     84          6           0        3.096823   -2.283404    4.692860
     85          6           0        4.128923   -2.663732    5.731499
     86          6           0        2.467155   -6.047873    2.366452
     87          6           0        2.860181   -7.091267    1.339559
     88          1           0       -3.024221    1.147063    0.660679
     89          1           0        1.665034    2.656113    0.266236
     90          1           0       -0.166120    4.307542    0.175965
     91          1           0       -3.262615   -0.721251   -0.178575
     92          1           0       -1.780986   -4.742584   -0.130561
     93          1           0        0.402902   -3.929823    0.484649
     94          1           0        4.550364   -3.639890    1.436848
     95          1           0        6.747334   -2.858107    0.797295
     96          1           0        5.064842    0.935072   -0.365994
     97          1           0       -3.361027   -4.942014   -1.708933
     98          1           0       -5.582237   -5.729082   -2.362614
     99          1           0       -7.384691   -2.523207   -0.144352
    100          1           0       -5.167402   -1.742091    0.538371
    101          1           0       -1.791137    5.258809    1.667719
    102          1           0       -3.619846    6.903940    1.703012
    103          1           0       -6.022726    4.293661   -0.716857
    104          1           0       -4.186542    2.656742   -0.779280
    105          1           0        8.123368   -2.353932   -0.976413
    106          1           0       10.351813   -1.587113   -1.655671
    107          1           0        9.390076    2.390068   -0.352389
    108          1           0        7.166618    1.627454    0.351502
    109          1           0      -12.028835   -4.766421   -3.433610
    110          1           0      -11.932993   -2.428782   -4.261162
    111          1           0       -9.911976   -1.047566   -3.891081
    112          1           0       -7.947458   -1.957111   -2.691726
    113          1           0       -6.874770   -6.945953   -0.372674
    114          1           0       -8.200638   -9.025636   -0.168810
    115          1           0      -10.487749   -9.177774   -1.104686
    116          1           0      -11.502612   -7.235953   -2.269879
    117          1           0       -8.338313   10.419729   -0.017630
    118          1           0       -6.447065   11.639228   -1.063439
    119          1           0       -4.261299   10.523564   -1.391968
    120          1           0       -3.908687    8.176242   -0.688160
    121          1           0       -7.245910    4.379241    1.718802
    122          1           0       -9.601394    4.447379    2.478677
    123          1           0      -10.965634    6.497562    2.222246
    124          1           0       -9.993550    8.536225    1.194234
    125          1           0       15.742401    1.307248   -1.775592
    126          1           0       16.195780   -0.462662   -0.096357
    127          1           0       14.327736   -1.657954    1.004187
    128          1           0       11.973005   -1.121715    0.459276
    129          1           0        9.617262    2.562414   -3.040612
    130          1           0       10.555942    4.228881   -4.612265
    131          1           0       13.002966    4.513895   -4.858050
    132          1           0       14.571973    3.126499   -3.527291
    133          1           0        3.238725   -1.278406    4.292275
    134          1           0        2.072583   -2.346277    5.062838
    135          1           0        4.065299   -1.968192    6.573913
    136          1           0        3.956363   -3.676085    6.109150
    137          1           0        5.141659   -2.613336    5.320808
    138          1           0        3.146203   -6.056742    3.225210
    139          1           0        1.444158   -6.197231    2.722750
    140          1           0        3.882917   -6.931640    0.986945
    141          1           0        2.802421   -8.088177    1.787499
    142          1           0        2.187931   -7.061811    0.477601
    143         17           0        0.778087   -0.230509    3.358825
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0183871           0.0073082           0.0057440
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13508.5311267292 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.41D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    0.999985    0.004194    0.000747   -0.003572 Ang=   0.64 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.67687441     A.U. after   14 cycles
            NFock= 14  Conv=0.27D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.003731333   -0.000934149   -0.000197260
      2        6          -0.001809923   -0.000345166    0.001009871
      3        6           0.001569880    0.002295711    0.000938516
      4        6          -0.001667932   -0.001110688   -0.000166004
      5        6          -0.000838506    0.001609433   -0.000016294
      6        6           0.000377939   -0.000598750   -0.000945928
      7        6           0.001353033   -0.000388744    0.000165059
      8        6           0.000811520   -0.003316117   -0.000041414
      9        6          -0.002760844    0.004569499    0.001191773
     10        6           0.001584439   -0.000379228   -0.002905170
     11        6          -0.001182585   -0.000159899   -0.001512333
     12        6           0.002006664    0.000391222    0.000502189
     13        6          -0.000660818    0.000137034    0.001123352
     14        6          -0.000595032    0.000122717    0.001478318
     15        7          -0.000284941    0.001466175    0.002123391
     16        6          -0.000144489   -0.000369693   -0.000632602
     17        6          -0.001993032    0.000141451   -0.000983165
     18        7           0.000576557   -0.001487291    0.002059279
     19        6           0.001018687    0.000151268    0.000798436
     20        6          -0.000684902    0.000018916    0.001363070
     21        6          -0.002002810   -0.000637994    0.000385997
     22        6           0.001184207    0.000366081   -0.001045783
     23        6          -0.002876702    0.001292551    0.000192707
     24        6          -0.001404139   -0.000990516   -0.000531109
     25        6           0.001931537    0.001267044   -0.000528713
     26        6          -0.000224469    0.000656846   -0.001139713
     27        6           0.000036566   -0.001001682    0.000214525
     28        6           0.001618777    0.001337669    0.000842600
     29        6          -0.000789933    0.000266637   -0.000647197
     30        6           0.000440711   -0.000949103    0.001345204
     31        6          -0.000394060   -0.000608449    0.000516605
     32        6          -0.000145775    0.000898732   -0.000258172
     33        6           0.002183456   -0.001160894   -0.000189699
     34        6          -0.000912603   -0.000282993    0.000300613
     35        6           0.000454043    0.000791454   -0.000661300
     36        6          -0.000505415    0.000281107   -0.000863635
     37        6           0.000897366   -0.000264515    0.000467562
     38        6          -0.001850753   -0.001112098    0.000559628
     39        6           0.000120881    0.000787808   -0.000712979
     40        6           0.000385254   -0.000543828    0.001117837
     41        7           0.002427499   -0.001226847   -0.000055343
     42        7           0.002230015    0.001665743    0.000922003
     43        7          -0.002292378   -0.001681368    0.000606014
     44        6          -0.000641120   -0.003957892   -0.001566889
     45        6           0.000017305    0.000937578    0.000464511
     46        6           0.001003537   -0.000194845   -0.000069285
     47        6          -0.004179552    0.000434932   -0.000471910
     48        6          -0.003963744   -0.001209598   -0.000534643
     49        6           0.000885880    0.000413902    0.000266884
     50        6           0.000269242   -0.000967226   -0.000284074
     51        6          -0.001627246    0.003888486    0.000731333
     52        6           0.000709504    0.004142023   -0.000864717
     53        6          -0.000066213   -0.001038437    0.000082859
     54        6          -0.000982992    0.000263429    0.000215179
     55        6           0.004232494   -0.000484760   -0.000514470
     56        6           0.000123649    0.000438813    0.000343082
     57        6           0.000624601    0.000418540    0.000092332
     58        6          -0.000859834   -0.001064433   -0.000659745
     59        6           0.000820017    0.000253766    0.000287082
     60        6           0.000524492    0.000708224    0.000319067
     61        6          -0.001431018   -0.000544141   -0.000320541
     62        6           0.000524976    0.000399036    0.000387104
     63        6           0.000552682    0.000028037   -0.000000188
     64        6           0.000536054    0.000070283    0.000172598
     65        6           0.000661473   -0.000330601   -0.000206173
     66        6          -0.001513331    0.000258761   -0.000141697
     67        6           0.000676339   -0.000600496   -0.000064745
     68        6           0.000889946   -0.000100549   -0.000008161
     69        6          -0.001164826    0.000944748    0.000223966
     70        6           0.000667426   -0.000315722    0.000128852
     71        6           0.000309566   -0.000411723   -0.000227062
     72        6          -0.000179518   -0.000536803   -0.000004304
     73        6          -0.000598908   -0.000364417    0.000331862
     74        6           0.000923540    0.001226982   -0.000258860
     75        6          -0.000845032   -0.000316247    0.000138820
     76        6          -0.000509642   -0.000731357    0.000268826
     77        6           0.001405538    0.000513355   -0.000434202
     78        6          -0.000569310   -0.000507590    0.000027063
     79        6          -0.000525602    0.000020819    0.000193733
     80        8           0.000549738    0.000526581   -0.001400686
     81       15          -0.001261889   -0.003820254    0.000001365
     82        8          -0.000596687   -0.000052103   -0.001416657
     83        8          -0.000489962    0.001211030   -0.001083351
     84        6          -0.001095853    0.001391075    0.000999844
     85        6           0.000615205   -0.000493896   -0.000175714
     86        6           0.000861584   -0.001234181   -0.000524748
     87        6          -0.000073906    0.000176256   -0.000269584
     88        1           0.000332946    0.000157998   -0.001368348
     89        1           0.000516239   -0.000649392    0.000053397
     90        1          -0.000569917   -0.000175785    0.000798494
     91        1          -0.000258998   -0.000132951    0.000719928
     92        1          -0.000752002   -0.000180348   -0.000571954
     93        1           0.001672209    0.000450392    0.000384407
     94        1          -0.000251742   -0.000472151   -0.000324307
     95        1           0.000268685    0.000201866   -0.000887342
     96        1           0.000060641    0.000125623    0.000323474
     97        1           0.000578896    0.000317002    0.000792412
     98        1          -0.000594427   -0.000127212   -0.000391977
     99        1          -0.000424432   -0.000531206   -0.000098979
    100        1           0.000689376    0.000796073   -0.000453921
    101        1           0.000365806    0.000103107   -0.000693971
    102        1          -0.000665538    0.000064000    0.000195595
    103        1          -0.000477898    0.000452358   -0.000117671
    104        1           0.000091325   -0.000397778    0.000846163
    105        1          -0.000295585   -0.000238015    0.000679435
    106        1           0.000350116    0.000479426   -0.000370100
    107        1           0.000596005    0.000260473    0.000042522
    108        1          -0.000543850   -0.000401939   -0.000526988
    109        1           0.000155030   -0.000189231    0.000028681
    110        1          -0.000044076    0.000087272    0.000186646
    111        1           0.000074671    0.000112787    0.000133577
    112        1           0.000502684   -0.000191488    0.000049140
    113        1          -0.000032852    0.000520727    0.000131807
    114        1           0.000187393    0.000066902   -0.000027071
    115        1           0.000159105   -0.000004139   -0.000137488
    116        1          -0.000111925    0.000217391   -0.000029829
    117        1          -0.000082219   -0.000238600    0.000029326
    118        1           0.000110958    0.000048050    0.000174225
    119        1           0.000178253   -0.000023525    0.000086970
    120        1           0.000102197   -0.000548115   -0.000054554
    121        1           0.000473228    0.000270320    0.000062372
    122        1           0.000122377   -0.000107977   -0.000085372
    123        1           0.000028537   -0.000111467   -0.000165726
    124        1           0.000121515    0.000211511   -0.000015621
    125        1          -0.000170510    0.000156721   -0.000085629
    126        1          -0.000002390   -0.000174520   -0.000127162
    127        1          -0.000103232   -0.000170851   -0.000034720
    128        1          -0.000515876    0.000166621   -0.000001515
    129        1           0.000031477   -0.000517944    0.000115175
    130        1          -0.000167846   -0.000028832    0.000115649
    131        1          -0.000117081    0.000088855    0.000157664
    132        1           0.000135159   -0.000190554    0.000095047
    133        1           0.000731234    0.000345498    0.001658766
    134        1           0.000355276   -0.000106694    0.001168813
    135        1          -0.000117664    0.000104864   -0.000051359
    136        1          -0.000115885    0.000093731   -0.000039376
    137        1          -0.000092394    0.000085483   -0.000009124
    138        1          -0.000254124    0.000078650    0.000172903
    139        1          -0.000138556    0.000228972    0.000278725
    140        1          -0.000073430    0.000096641    0.000060137
    141        1          -0.000050911    0.000084386    0.000137707
    142        1          -0.000000003    0.000024508    0.000069741
    143       17           0.001907098   -0.000941964   -0.003443484
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004569499 RMS     0.000993001

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.002511266 RMS     0.000508512
 Search for a local minimum.
 Step number  11 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   10   11
 DE= -1.93D-03 DEPred=-1.89D-03 R= 1.02D+00
 TightC=F SS=  1.41D+00  RLast= 6.99D-01 DXNew= 4.0363D+00 2.0973D+00
 Trust test= 1.02D+00 RLast= 6.99D-01 DXMaxT set to 2.40D+00
 ITU=  1  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00417   0.00421   0.00587   0.01105   0.01547
     Eigenvalues ---    0.01615   0.01698   0.02381   0.02587   0.02605
     Eigenvalues ---    0.02614   0.02662   0.02694   0.02703   0.02707
     Eigenvalues ---    0.02709   0.02712   0.02715   0.02718   0.02725
     Eigenvalues ---    0.02728   0.02732   0.02734   0.02738   0.02742
     Eigenvalues ---    0.02755   0.02769   0.02770   0.02774   0.02774
     Eigenvalues ---    0.02777   0.02780   0.02785   0.02786   0.02786
     Eigenvalues ---    0.02789   0.02791   0.02791   0.02792   0.02792
     Eigenvalues ---    0.02792   0.02793   0.02794   0.02796   0.02802
     Eigenvalues ---    0.02803   0.02804   0.02804   0.02804   0.02806
     Eigenvalues ---    0.02807   0.02807   0.02808   0.02808   0.02809
     Eigenvalues ---    0.02811   0.02811   0.02814   0.02817   0.02817
     Eigenvalues ---    0.02818   0.02818   0.02818   0.02819   0.02819
     Eigenvalues ---    0.02824   0.02829   0.02834   0.02840   0.02844
     Eigenvalues ---    0.02844   0.02845   0.02845   0.02847   0.02847
     Eigenvalues ---    0.02850   0.02853   0.02862   0.02867   0.02868
     Eigenvalues ---    0.02869   0.02869   0.02872   0.02873   0.02873
     Eigenvalues ---    0.02876   0.02877   0.02878   0.02878   0.02879
     Eigenvalues ---    0.02879   0.02884   0.02884   0.02884   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02886   0.02886   0.02887
     Eigenvalues ---    0.02892   0.02893   0.02893   0.02896   0.02897
     Eigenvalues ---    0.02897   0.02897   0.02898   0.02898   0.02900
     Eigenvalues ---    0.02908   0.02909   0.02928   0.02941   0.02941
     Eigenvalues ---    0.02945   0.02977   0.03024   0.03024   0.03025
     Eigenvalues ---    0.03068   0.03133   0.03133   0.03134   0.03146
     Eigenvalues ---    0.03148   0.03152   0.03224   0.03474   0.03809
     Eigenvalues ---    0.04078   0.04705   0.05072   0.05377   0.05515
     Eigenvalues ---    0.05562   0.05635   0.05678   0.05724   0.05758
     Eigenvalues ---    0.07295   0.08631   0.09088   0.10480   0.11426
     Eigenvalues ---    0.11497   0.12637   0.13305   0.13664   0.15421
     Eigenvalues ---    0.15756   0.15839   0.15945   0.15970   0.15972
     Eigenvalues ---    0.15975   0.15977   0.15979   0.15980   0.15986
     Eigenvalues ---    0.15991   0.15993   0.15997   0.15998   0.15998
     Eigenvalues ---    0.15998   0.15998   0.15998   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16007   0.16012   0.16040   0.16057
     Eigenvalues ---    0.16338   0.17334   0.18455   0.18845   0.20590
     Eigenvalues ---    0.20929   0.21999   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22002   0.22002   0.22003
     Eigenvalues ---    0.22016   0.22418   0.22441   0.22492   0.22601
     Eigenvalues ---    0.22601   0.22603   0.22603   0.22603   0.22694
     Eigenvalues ---    0.22961   0.22964   0.22976   0.23458   0.23482
     Eigenvalues ---    0.23556   0.23797   0.23996   0.24006   0.24023
     Eigenvalues ---    0.24195   0.24493   0.24494   0.24496   0.24534
     Eigenvalues ---    0.24540   0.24541   0.24710   0.24856   0.24979
     Eigenvalues ---    0.24991   0.24992   0.24993   0.24994   0.24995
     Eigenvalues ---    0.24996   0.24997   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25001
     Eigenvalues ---    0.25016   0.25039   0.25559   0.26055   0.27121
     Eigenvalues ---    0.28691   0.28962   0.29762   0.29788   0.30731
     Eigenvalues ---    0.32015   0.32098   0.32127   0.32140   0.32147
     Eigenvalues ---    0.32150   0.32177   0.32217   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33293   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33458   0.33544   0.33561   0.33565   0.33577
     Eigenvalues ---    0.33584   0.33586   0.33595   0.33631   0.33635
     Eigenvalues ---    0.33638   0.33642   0.33645   0.33662   0.33701
     Eigenvalues ---    0.33719   0.33729   0.33819   0.33829   0.33840
     Eigenvalues ---    0.33856   0.33879   0.33897   0.33919   0.33941
     Eigenvalues ---    0.33947   0.33954   0.33959   0.34007   0.34478
     Eigenvalues ---    0.34844   0.34915   0.35039   0.38661   0.41624
     Eigenvalues ---    0.42744   0.43806   0.44431   0.44434   0.44439
     Eigenvalues ---    0.44471   0.46247   0.47666   0.48928   0.48979
     Eigenvalues ---    0.48987   0.49251   0.49468   0.49622   0.49768
     Eigenvalues ---    0.49780   0.49816   0.49967   0.50005   0.50084
     Eigenvalues ---    0.50177   0.50347   0.50407   0.50412   0.50566
     Eigenvalues ---    0.50610   0.50614   0.50620   0.51512   0.52157
     Eigenvalues ---    0.52395   0.52496   0.52865   0.53191   0.53925
     Eigenvalues ---    0.54091   0.54114   0.54203   0.54204   0.54209
     Eigenvalues ---    0.54343   0.54605   0.55109   0.55176   0.55315
     Eigenvalues ---    0.55344   0.55359   0.55365   0.55387   0.55412
     Eigenvalues ---    0.55486   0.55506   0.55548   0.55635   0.55695
     Eigenvalues ---    0.55705   0.55742   0.55772   0.55938   0.55939
     Eigenvalues ---    0.55950   0.56146   0.56151   0.56153   0.56250
     Eigenvalues ---    0.56270   0.56308   0.56365   0.56661   0.56662
     Eigenvalues ---    0.56664   0.56670   0.56672   0.56682   0.56867
     Eigenvalues ---    0.56899   0.56912   0.56985   0.57139   0.57174
     Eigenvalues ---    0.57179   0.57190   0.57195   0.57210   0.57629
     Eigenvalues ---    0.61393   0.62414   0.66044   0.66052   0.67653
     Eigenvalues ---    0.67666   0.67669   0.69409   0.70039   0.70092
     Eigenvalues ---    0.73364   0.76792   0.79981
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    11   10    9
 RFO step:  Lambda=-1.60505606D-03.
 DidBck=F Rises=F RFO-DIIS coefs:    1.51513   -1.12138    0.60625
 Iteration  1 RMS(Cart)=  0.12880666 RMS(Int)=  0.00079703
 Iteration  2 RMS(Cart)=  0.00287696 RMS(Int)=  0.00020334
 Iteration  3 RMS(Cart)=  0.00000133 RMS(Int)=  0.00020334
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00020334
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64356  -0.00018  -0.00013   0.00000  -0.00016   2.64340
    R2        2.66370  -0.00061  -0.00009  -0.00091  -0.00110   2.66260
    R3        2.79273   0.00251   0.00395   0.00309   0.00704   2.79977
    R4        2.64845   0.00042   0.00074   0.00045   0.00125   2.64970
    R5        2.04991  -0.00047  -0.00003  -0.00213  -0.00216   2.04775
    R6        2.66875  -0.00092  -0.00267   0.00009  -0.00243   2.66632
    R7        2.77256   0.00158   0.00202   0.00133   0.00357   2.77612
    R8        2.64638   0.00039   0.00120  -0.00013   0.00110   2.64748
    R9        2.77213   0.00055  -0.00034   0.00095   0.00049   2.77261
   R10        2.61901  -0.00060  -0.00123  -0.00025  -0.00154   2.61747
   R11        2.04718   0.00006   0.00064  -0.00052   0.00013   2.04731
   R12        2.05155  -0.00016  -0.00043  -0.00054  -0.00097   2.05057
   R13        2.69032  -0.00067   0.00035  -0.00019   0.00038   2.69069
   R14        2.64371   0.00047   0.00041   0.00081   0.00130   2.64502
   R15        2.75610  -0.00182  -0.00069  -0.00070  -0.00151   2.75459
   R16        2.66449  -0.00131   0.00003  -0.00207  -0.00202   2.66248
   R17        2.78034  -0.00128  -0.00375   0.00069  -0.00339   2.77695
   R18        2.62126  -0.00093   0.00116  -0.00043   0.00043   2.62169
   R19        4.91963  -0.00176  -0.01156  -0.01920  -0.03102   4.88861
   R20        2.46158  -0.00125  -0.00226   0.00148  -0.00076   2.46082
   R21        2.64676   0.00001  -0.00035  -0.00016  -0.00053   2.64623
   R22        2.04649   0.00002   0.00055  -0.00076  -0.00022   2.04627
   R23        2.66191  -0.00081  -0.00102  -0.00097  -0.00210   2.65981
   R24        2.79572  -0.00005   0.00123  -0.00109   0.00013   2.79586
   R25        2.61219   0.00000  -0.00044   0.00007  -0.00045   2.61173
   R26        2.04898   0.00017   0.00064  -0.00027   0.00037   2.04934
   R27        2.04079   0.00134   0.00073   0.00187   0.00260   2.04340
   R28        2.68705  -0.00070   0.00257  -0.00700  -0.00445   2.68260
   R29        3.38523  -0.00052   0.01104  -0.00967   0.00112   3.38635
   R30        6.04667  -0.00104  -0.02683  -0.04605  -0.07258   5.97409
   R31        2.67625   0.00021   0.00197  -0.00163   0.00058   2.67683
   R32        2.65331   0.00031   0.00302  -0.00288   0.00013   2.65344
   R33        2.59849  -0.00137  -0.00302  -0.00048  -0.00328   2.59522
   R34        2.65642   0.00051   0.00117   0.00043   0.00163   2.65804
   R35        2.62017  -0.00050  -0.00079  -0.00044  -0.00125   2.61891
   R36        2.03899   0.00031  -0.00281   0.00505   0.00224   2.04123
   R37        2.66905  -0.00009  -0.00024   0.00088   0.00062   2.66967
   R38        2.05030   0.00008   0.00034  -0.00033   0.00000   2.05031
   R39        2.63101  -0.00083  -0.00260   0.00110  -0.00149   2.62951
   R40        2.79710   0.00092   0.00248   0.00017   0.00265   2.79975
   R41        2.04894   0.00000   0.00037  -0.00068  -0.00031   2.04863
   R42        2.65654  -0.00021   0.00014  -0.00048  -0.00035   2.65619
   R43        2.65664  -0.00027  -0.00024  -0.00034  -0.00058   2.65605
   R44        2.65835  -0.00046  -0.00032  -0.00070  -0.00102   2.65733
   R45        2.65958  -0.00072  -0.00036  -0.00132  -0.00168   2.65790
   R46        2.65692  -0.00044  -0.00041  -0.00060  -0.00101   2.65591
   R47        2.65756  -0.00057  -0.00035  -0.00104  -0.00139   2.65616
   R48        2.62848  -0.00012  -0.00018  -0.00008  -0.00026   2.62822
   R49        2.05027   0.00019   0.00075  -0.00034   0.00041   2.05068
   R50        2.64753  -0.00039  -0.00036   0.00023  -0.00013   2.64739
   R51        2.04965   0.00025   0.00064  -0.00069  -0.00004   2.04961
   R52        2.64817  -0.00056  -0.00069   0.00017  -0.00051   2.64765
   R53        2.67887  -0.00025  -0.00017  -0.00009  -0.00026   2.67861
   R54        2.62792   0.00005  -0.00005   0.00021   0.00016   2.62808
   R55        2.04961   0.00025   0.00075  -0.00080  -0.00005   2.04956
   R56        2.05053   0.00015   0.00027   0.00001   0.00028   2.05081
   R57        2.62997  -0.00010  -0.00016   0.00000  -0.00016   2.62980
   R58        2.05142  -0.00007  -0.00002  -0.00063  -0.00065   2.05077
   R59        2.64712  -0.00068  -0.00074  -0.00018  -0.00091   2.64621
   R60        2.04989   0.00026   0.00069  -0.00072  -0.00003   2.04987
   R61        2.64770  -0.00089  -0.00106  -0.00036  -0.00142   2.64628
   R62        2.68294  -0.00013  -0.00001  -0.00003  -0.00003   2.68291
   R63        2.62948  -0.00003   0.00000  -0.00000   0.00000   2.62948
   R64        2.05001   0.00025   0.00078  -0.00087  -0.00010   2.04992
   R65        2.05210  -0.00017   0.00015  -0.00106  -0.00091   2.05119
   R66        2.62977  -0.00010  -0.00005  -0.00010  -0.00015   2.62962
   R67        2.05124   0.00006   0.00036  -0.00043  -0.00007   2.05117
   R68        2.64653  -0.00047  -0.00050   0.00018  -0.00032   2.64621
   R69        2.04983   0.00025   0.00065  -0.00072  -0.00007   2.04976
   R70        2.64784  -0.00070  -0.00083  -0.00004  -0.00086   2.64698
   R71        2.68152  -0.00026  -0.00006  -0.00023  -0.00029   2.68123
   R72        2.62871   0.00002   0.00001   0.00007   0.00009   2.62879
   R73        2.04981   0.00025   0.00079  -0.00089  -0.00010   2.04971
   R74        2.05109   0.00003   0.00016  -0.00024  -0.00008   2.05101
   R75        2.63963   0.00154   0.00319   0.00186   0.00504   2.64467
   R76        2.63928   0.00159   0.00338   0.00181   0.00518   2.64447
   R77        2.64149   0.00164   0.00346   0.00182   0.00527   2.64676
   R78        2.64183   0.00158   0.00325   0.00185   0.00510   2.64693
   R79        2.64051   0.00161   0.00321   0.00200   0.00520   2.64571
   R80        2.64006   0.00162   0.00339   0.00187   0.00525   2.64531
   R81        2.68269  -0.00101  -0.00161  -0.00077  -0.00239   2.68030
   R82        2.64201  -0.00068  -0.00080  -0.00014  -0.00095   2.64106
   R83        2.73809  -0.00009  -0.00008  -0.00074  -0.00081   2.73728
   R84        2.64548  -0.00039  -0.00040  -0.00056  -0.00096   2.64452
   R85        2.68259  -0.00099  -0.00162  -0.00072  -0.00235   2.68024
   R86        2.64555  -0.00041  -0.00046  -0.00055  -0.00101   2.64454
   R87        2.64195  -0.00068  -0.00086  -0.00008  -0.00095   2.64101
   R88        2.68321  -0.00097  -0.00161  -0.00068  -0.00231   2.68090
   R89        2.64218  -0.00068  -0.00089  -0.00006  -0.00096   2.64122
   R90        2.73788  -0.00012  -0.00013  -0.00075  -0.00087   2.73702
   R91        2.64588  -0.00043  -0.00051  -0.00054  -0.00105   2.64483
   R92        2.68346  -0.00101  -0.00159  -0.00079  -0.00239   2.68107
   R93        2.64575  -0.00041  -0.00043  -0.00058  -0.00101   2.64474
   R94        2.64218  -0.00070  -0.00078  -0.00019  -0.00098   2.64120
   R95        2.68300  -0.00100  -0.00165  -0.00073  -0.00239   2.68061
   R96        2.64203  -0.00068  -0.00088  -0.00003  -0.00093   2.64110
   R97        2.73800  -0.00009  -0.00009  -0.00075  -0.00083   2.73716
   R98        2.64575  -0.00041  -0.00045  -0.00056  -0.00101   2.64473
   R99        2.68315  -0.00101  -0.00159  -0.00081  -0.00240   2.68075
   R100       2.64567  -0.00041  -0.00042  -0.00058  -0.00101   2.64466
   R101       2.64208  -0.00068  -0.00076  -0.00017  -0.00094   2.64114
   R102       2.62966   0.00004   0.00028  -0.00029  -0.00001   2.62965
   R103       2.05252   0.00004   0.00014   0.00003   0.00016   2.05269
   R104       2.65724  -0.00073  -0.00086  -0.00100  -0.00186   2.65538
   R105       2.05148  -0.00004  -0.00013   0.00001  -0.00012   2.05136
   R106       2.63162   0.00026   0.00081   0.00022   0.00103   2.63265
   R107       2.05201   0.00005   0.00018   0.00005   0.00023   2.05223
   R108       2.04895   0.00017   0.00050  -0.00074  -0.00025   2.04871
   R109       2.63160   0.00027   0.00084   0.00021   0.00105   2.63265
   R110       2.04895   0.00018   0.00042  -0.00066  -0.00024   2.04871
   R111       2.65727  -0.00074  -0.00091  -0.00098  -0.00188   2.65538
   R112       2.05202   0.00005   0.00019   0.00006   0.00025   2.05227
   R113       2.62972   0.00003   0.00023  -0.00028  -0.00004   2.62968
   R114       2.05151  -0.00004  -0.00012   0.00001  -0.00012   2.05140
   R115       2.05251   0.00004   0.00014   0.00003   0.00018   2.05269
   R116       2.62970   0.00004   0.00025  -0.00028  -0.00003   2.62968
   R117       2.05263   0.00004   0.00014   0.00004   0.00018   2.05281
   R118       2.65766  -0.00073  -0.00090  -0.00097  -0.00186   2.65580
   R119       2.05161  -0.00004  -0.00013   0.00000  -0.00013   2.05148
   R120       2.63143   0.00025   0.00079   0.00021   0.00100   2.63243
   R121       2.05212   0.00005   0.00020   0.00004   0.00024   2.05236
   R122       2.04904   0.00019   0.00042  -0.00061  -0.00020   2.04885
   R123       2.63136   0.00026   0.00077   0.00027   0.00104   2.63240
   R124       2.04904   0.00019   0.00062  -0.00081  -0.00019   2.04885
   R125       2.65771  -0.00073  -0.00084  -0.00103  -0.00186   2.65585
   R126       2.05210   0.00005   0.00018   0.00006   0.00024   2.05233
   R127       2.62960   0.00006   0.00030  -0.00028   0.00002   2.62963
   R128       2.05159  -0.00004  -0.00014   0.00002  -0.00012   2.05147
   R129       2.05263   0.00004   0.00014   0.00003   0.00017   2.05280
   R130       2.62972   0.00004   0.00026  -0.00029  -0.00003   2.62970
   R131       2.05256   0.00004   0.00014   0.00004   0.00017   2.05274
   R132       2.65750  -0.00074  -0.00091  -0.00100  -0.00190   2.65560
   R133       2.05155  -0.00004  -0.00013   0.00000  -0.00013   2.05142
   R134       2.63153   0.00026   0.00080   0.00021   0.00102   2.63255
   R135       2.05210   0.00005   0.00019   0.00004   0.00024   2.05233
   R136       2.04909   0.00018   0.00042  -0.00065  -0.00023   2.04886
   R137       2.63144   0.00027   0.00079   0.00026   0.00105   2.63250
   R138       2.04903   0.00018   0.00058  -0.00080  -0.00022   2.04881
   R139       2.65754  -0.00074  -0.00086  -0.00104  -0.00188   2.65566
   R140       2.05204   0.00005   0.00018   0.00005   0.00023   2.05227
   R141       2.62965   0.00003   0.00026  -0.00032  -0.00005   2.62960
   R142       2.05153  -0.00004  -0.00013   0.00001  -0.00012   2.05141
   R143       2.05257   0.00004   0.00014   0.00002   0.00016   2.05274
   R144       2.78151  -0.00116  -0.00273   0.00075  -0.00198   2.77953
   R145       3.01050   0.00092  -0.00231   0.00282   0.00037   3.01087
   R146       3.04573   0.00011   0.00288  -0.00261   0.00027   3.04600
   R147       2.77733   0.00244   0.00423   0.00084   0.00498   2.78231
   R148       2.75701   0.00052   0.00253  -0.00124   0.00129   2.75830
   R149       2.85883   0.00004   0.00094  -0.00040   0.00055   2.85938
   R150       2.06199   0.00007   0.00024  -0.00109  -0.00123   2.06075
   R151       2.06136  -0.00035  -0.00053  -0.00003  -0.00070   2.06066
   R152       2.06792   0.00004   0.00005   0.00013   0.00018   2.06810
   R153       2.06772  -0.00011  -0.00033  -0.00006  -0.00040   2.06732
   R154       2.06736  -0.00005  -0.00019   0.00005  -0.00015   2.06722
   R155       2.86445  -0.00029  -0.00109  -0.00006  -0.00115   2.86330
   R156       2.06893   0.00000   0.00007  -0.00007  -0.00001   2.06892
   R157       2.06645   0.00010   0.00045   0.00009   0.00054   2.06699
   R158       2.06647  -0.00004  -0.00012  -0.00009  -0.00021   2.06626
   R159       2.06821  -0.00004  -0.00037   0.00031  -0.00006   2.06815
   R160       2.06643  -0.00006  -0.00017  -0.00003  -0.00020   2.06623
   R161       5.35302   0.00030   0.02176   0.02964   0.05120   5.40422
   R162       5.68674   0.00027   0.01878   0.03035   0.04973   5.73647
    A1        2.06019   0.00069   0.00293  -0.00115   0.00181   2.06200
    A2        2.11088  -0.00033  -0.00267   0.00168  -0.00099   2.10989
    A3        2.11211  -0.00036  -0.00027  -0.00054  -0.00082   2.11129
    A4        2.13185  -0.00080  -0.00338   0.00087  -0.00232   2.12953
    A5        2.06466   0.00049   0.00274   0.00031   0.00295   2.06761
    A6        2.08448   0.00033   0.00117  -0.00049   0.00058   2.08506
    A7        2.06907   0.00015   0.00112  -0.00007   0.00098   2.07005
    A8        2.14339  -0.00021  -0.00200  -0.00114  -0.00371   2.13968
    A9        2.06925   0.00006   0.00040   0.00120   0.00240   2.07165
   A10        2.08800   0.00037   0.00192  -0.00046   0.00149   2.08949
   A11        2.10009  -0.00021  -0.00138   0.00097   0.00006   2.10014
   A12        2.09469  -0.00016  -0.00063  -0.00053  -0.00158   2.09311
   A13        2.10717  -0.00041  -0.00176   0.00021  -0.00143   2.10574
   A14        2.07368  -0.00065  -0.00433  -0.00099  -0.00538   2.06830
   A15        2.10215   0.00105   0.00609   0.00075   0.00677   2.10892
   A16        2.10726   0.00002  -0.00050   0.00105   0.00052   2.10778
   A17        2.09265  -0.00061  -0.00268  -0.00096  -0.00365   2.08900
   A18        2.08318   0.00060   0.00325  -0.00002   0.00321   2.08639
   A19        2.09679  -0.00008   0.00112   0.00058   0.00236   2.09915
   A20        2.11029   0.00093  -0.00154   0.00196  -0.00023   2.11006
   A21        2.07102  -0.00082   0.00092  -0.00229  -0.00136   2.06966
   A22        2.08925  -0.00070  -0.00540  -0.00013  -0.00514   2.08410
   A23        2.06199   0.00187  -0.00025   0.00330   0.00331   2.06530
   A24        2.12458  -0.00114   0.00550  -0.00298   0.00208   2.12666
   A25        2.02203   0.00171   0.00433   0.00418   0.00933   2.03136
   A26        2.12863  -0.00230  -0.00200  -0.00445  -0.00581   2.12282
   A27        1.80251   0.00003   0.00324   0.00196   0.00508   1.80759
   A28        2.05463   0.00050   0.00118  -0.00202   0.00028   2.05491
   A29        1.47637   0.00012  -0.00897   0.02006   0.01021   1.48658
   A30        2.05837  -0.00067  -0.00039  -0.00043  -0.00026   2.05811
   A31        2.07204   0.00091  -0.00004   0.00208   0.00193   2.07397
   A32        2.15277  -0.00024   0.00066  -0.00166  -0.00168   2.15109
   A33        2.14703  -0.00101  -0.00335  -0.00085  -0.00387   2.14316
   A34        2.06941   0.00049   0.00017   0.00237   0.00238   2.07179
   A35        2.06304   0.00054   0.00339  -0.00051   0.00272   2.06575
   A36        2.04884   0.00126   0.00235   0.00183   0.00431   2.05315
   A37        2.11228  -0.00053  -0.00005  -0.00109  -0.00121   2.11107
   A38        2.12135  -0.00073  -0.00235  -0.00066  -0.00308   2.11827
   A39        2.10796  -0.00032  -0.00030  -0.00062  -0.00085   2.10711
   A40        2.10364  -0.00075  -0.00423  -0.00187  -0.00613   2.09751
   A41        2.07128   0.00107   0.00455   0.00259   0.00710   2.07839
   A42        2.12567  -0.00097  -0.00121  -0.00163  -0.00263   2.12304
   A43        2.09814  -0.00070  -0.00344  -0.00210  -0.00564   2.09250
   A44        2.05899   0.00167   0.00428   0.00382   0.00800   2.06699
   A45        2.07243  -0.00007  -0.00149   0.00393   0.00200   2.07443
   A46        2.07154  -0.00058  -0.00318   0.01287   0.00947   2.08101
   A47        2.06357   0.00089   0.00778  -0.00860  -0.00053   2.06304
   A48        1.96247   0.00001  -0.00814  -0.00132  -0.00976   1.95271
   A49        1.50085   0.00042   0.00539   0.01551   0.02093   1.52178
   A50        2.07127  -0.00051  -0.00290   0.00164  -0.00127   2.07001
   A51        2.14688   0.00005   0.00650  -0.00947  -0.00296   2.14392
   A52        2.06331   0.00046  -0.00362   0.00791   0.00434   2.06765
   A53        2.13845   0.00007   0.00200  -0.00302  -0.00081   2.13763
   A54        2.09438  -0.00021   0.00285  -0.00475  -0.00194   2.09244
   A55        2.05028   0.00013  -0.00478   0.00775   0.00280   2.05308
   A56        2.06945   0.00034  -0.00031   0.00299   0.00273   2.07219
   A57        2.10487  -0.00061   0.00007  -0.00407  -0.00395   2.10092
   A58        2.10389   0.00001   0.00027  -0.00138  -0.00108   2.10281
   A59        2.07442   0.00060  -0.00047   0.00545   0.00501   2.07943
   A60        2.13162   0.00016   0.00150  -0.00063   0.00090   2.13252
   A61        2.06057   0.00047   0.00254   0.00045   0.00303   2.06360
   A62        2.09047  -0.00063  -0.00402   0.00040  -0.00358   2.08689
   A63        2.04229   0.00068   0.00038   0.00213   0.00254   2.04483
   A64        2.11977  -0.00058  -0.00126  -0.00112  -0.00239   2.11738
   A65        2.12112  -0.00010   0.00086  -0.00100  -0.00015   2.12096
   A66        2.12980  -0.00050  -0.00145  -0.00062  -0.00202   2.12778
   A67        2.03079   0.00030   0.00086  -0.00002   0.00080   2.03160
   A68        2.12198   0.00020   0.00065   0.00087   0.00147   2.12345
   A69        2.11206  -0.00019   0.00016   0.00020   0.00036   2.11242
   A70        2.11726  -0.00030  -0.00225   0.00165  -0.00061   2.11665
   A71        2.05387   0.00049   0.00209  -0.00185   0.00024   2.05411
   A72        2.12046  -0.00055  -0.00243   0.00005  -0.00238   2.11808
   A73        2.11566  -0.00076  -0.00102  -0.00127  -0.00228   2.11338
   A74        2.04705   0.00132   0.00345   0.00122   0.00466   2.05171
   A75        2.11656  -0.00032  -0.00112   0.00093  -0.00020   2.11636
   A76        2.11603  -0.00065  -0.00173  -0.00109  -0.00281   2.11322
   A77        2.05059   0.00097   0.00285   0.00016   0.00301   2.05361
   A78        2.12073  -0.00056  -0.00125  -0.00052  -0.00176   2.11897
   A79        2.09609  -0.00063  -0.00320  -0.00228  -0.00547   2.09063
   A80        2.06489   0.00119   0.00445   0.00320   0.00768   2.07257
   A81        2.10310  -0.00091  -0.00335  -0.00000  -0.00335   2.09975
   A82        2.09181   0.00108   0.00498   0.00030   0.00528   2.09709
   A83        2.08817  -0.00018  -0.00167  -0.00034  -0.00202   2.08615
   A84        2.07167   0.00160   0.00569  -0.00017   0.00552   2.07720
   A85        2.10570  -0.00084  -0.00275  -0.00031  -0.00306   2.10264
   A86        2.10581  -0.00075  -0.00294   0.00048  -0.00246   2.10334
   A87        2.10278  -0.00089  -0.00333   0.00013  -0.00321   2.09957
   A88        2.08829  -0.00018  -0.00173  -0.00021  -0.00194   2.08635
   A89        2.09193   0.00106   0.00504   0.00003   0.00507   2.09700
   A90        2.12088  -0.00056  -0.00123  -0.00063  -0.00185   2.11903
   A91        2.09271  -0.00056  -0.00236  -0.00212  -0.00448   2.08823
   A92        2.06753   0.00114   0.00381   0.00330   0.00713   2.07466
   A93        2.11690  -0.00021  -0.00060   0.00111   0.00050   2.11740
   A94        2.08774  -0.00028  -0.00127  -0.00054  -0.00183   2.08592
   A95        2.07708   0.00051   0.00213  -0.00024   0.00188   2.07896
   A96        2.10169  -0.00078  -0.00320   0.00043  -0.00276   2.09892
   A97        2.09373   0.00099   0.00475  -0.00008   0.00466   2.09839
   A98        2.08765  -0.00021  -0.00158  -0.00038  -0.00197   2.08568
   A99        2.07514   0.00146   0.00543  -0.00125   0.00419   2.07933
   A100       2.10490  -0.00074  -0.00260   0.00050  -0.00210   2.10280
   A101       2.10314  -0.00072  -0.00283   0.00074  -0.00209   2.10105
   A102       2.10130  -0.00081  -0.00338   0.00039  -0.00298   2.09831
   A103       2.08699  -0.00018  -0.00146  -0.00024  -0.00171   2.08529
   A104       2.09476   0.00100   0.00482  -0.00019   0.00463   2.09939
   A105       2.11737  -0.00015  -0.00034   0.00116   0.00081   2.11818
   A106       2.08749  -0.00025  -0.00168   0.00026  -0.00144   2.08605
   A107       2.07675   0.00042   0.00239  -0.00106   0.00132   2.07807
   A108       2.11918  -0.00042  -0.00104  -0.00002  -0.00106   2.11813
   A109       2.09264  -0.00035  -0.00173  -0.00099  -0.00272   2.08992
   A110       2.06998   0.00078   0.00289   0.00134   0.00423   2.07421
   A111       2.10199  -0.00082  -0.00312   0.00021  -0.00290   2.09909
   A112       2.09317   0.00102   0.00470   0.00010   0.00480   2.09798
   A113       2.08792  -0.00020  -0.00163  -0.00036  -0.00199   2.08593
   A114       2.07327   0.00149   0.00542  -0.00060   0.00482   2.07809
   A115       2.10511  -0.00079  -0.00262  -0.00003  -0.00266   2.10246
   A116       2.10480  -0.00070  -0.00279   0.00063  -0.00216   2.10263
   A117       2.10266  -0.00087  -0.00340   0.00021  -0.00319   2.09947
   A118       2.08754  -0.00014  -0.00145  -0.00009  -0.00155   2.08600
   A119       2.09286   0.00101   0.00482  -0.00017   0.00465   2.09750
   A120       2.11855  -0.00035  -0.00072   0.00005  -0.00067   2.11788
   A121       2.09114  -0.00042  -0.00208  -0.00129  -0.00337   2.08777
   A122       2.07211   0.00078   0.00298   0.00156   0.00454   2.07665
   A123       2.19387   0.00031   0.00027   0.00121   0.00150   2.19538
   A124       2.19495   0.00017   0.00040   0.00049   0.00091   2.19586
   A125       1.89435  -0.00048  -0.00067  -0.00170  -0.00241   1.89194
   A126       2.19477   0.00022   0.00054   0.00044   0.00100   2.19577
   A127       2.19423   0.00029   0.00027   0.00123   0.00152   2.19575
   A128       1.89418  -0.00051  -0.00081  -0.00167  -0.00252   1.89166
   A129       2.19401   0.00030   0.00018   0.00131   0.00151   2.19552
   A130       2.19482   0.00019   0.00055   0.00032   0.00089   2.19572
   A131       1.89435  -0.00049  -0.00073  -0.00164  -0.00240   1.89195
   A132       1.90138  -0.00024  -0.00065   0.00054  -0.00008   1.90130
   A133       2.26333  -0.00077  -0.00307   0.00065  -0.00234   2.26098
   A134       2.11834   0.00100   0.00342  -0.00127   0.00221   2.12055
   A135       1.86394   0.00049   0.00104   0.00031   0.00133   1.86527
   A136       2.08800  -0.00053  -0.00203   0.00105  -0.00099   2.08701
   A137       2.33115   0.00005   0.00101  -0.00134  -0.00031   2.33084
   A138       1.86398   0.00048   0.00099   0.00030   0.00128   1.86526
   A139       2.33114   0.00005   0.00107  -0.00137  -0.00028   2.33086
   A140       2.08797  -0.00053  -0.00205   0.00109  -0.00097   2.08701
   A141       1.90130  -0.00022  -0.00056   0.00052  -0.00001   1.90129
   A142       2.26339  -0.00077  -0.00322   0.00080  -0.00233   2.26105
   A143       2.11837   0.00098   0.00347  -0.00138   0.00214   2.12051
   A144       1.90195  -0.00025  -0.00068   0.00054  -0.00011   1.90184
   A145       2.26236  -0.00074  -0.00318   0.00090  -0.00220   2.26017
   A146       2.11879   0.00099   0.00355  -0.00148   0.00212   2.12091
   A147       1.86327   0.00048   0.00105   0.00027   0.00131   1.86458
   A148       2.08749  -0.00052  -0.00208   0.00115  -0.00093   2.08656
   A149       2.33236   0.00004   0.00104  -0.00141  -0.00035   2.33201
   A150       1.86329   0.00049   0.00103   0.00032   0.00134   1.86463
   A151       2.33224   0.00005   0.00102  -0.00136  -0.00032   2.33192
   A152       2.08759  -0.00054  -0.00204   0.00105  -0.00100   2.08659
   A153       1.90192  -0.00024  -0.00073   0.00057  -0.00013   1.90179
   A154       2.26266  -0.00078  -0.00297   0.00057  -0.00232   2.26035
   A155       2.11853   0.00102   0.00340  -0.00120   0.00226   2.12079
   A156       1.90163  -0.00025  -0.00063   0.00043  -0.00016   1.90147
   A157       2.26272  -0.00074  -0.00325   0.00100  -0.00216   2.26056
   A158       2.11875   0.00099   0.00356  -0.00148   0.00213   2.12088
   A159       1.86356   0.00050   0.00103   0.00036   0.00137   1.86493
   A160       2.08762  -0.00052  -0.00208   0.00117  -0.00092   2.08670
   A161       2.33193   0.00003   0.00106  -0.00151  -0.00042   2.33150
   A162       1.86354   0.00049   0.00102   0.00035   0.00135   1.86489
   A163       2.33192   0.00004   0.00103  -0.00141  -0.00036   2.33156
   A164       2.08765  -0.00053  -0.00204   0.00108  -0.00096   2.08668
   A165       1.90170  -0.00025  -0.00070   0.00050  -0.00016   1.90154
   A166       2.26286  -0.00076  -0.00297   0.00068  -0.00222   2.26064
   A167       2.11853   0.00100   0.00337  -0.00124   0.00218   2.12071
   A168       2.07954   0.00009   0.00025   0.00003   0.00028   2.07982
   A169       2.10201  -0.00028  -0.00163  -0.00012  -0.00175   2.10026
   A170       2.10164   0.00019   0.00137   0.00009   0.00146   2.10310
   A171       2.10384   0.00008   0.00047  -0.00056  -0.00008   2.10376
   A172       2.09165   0.00003   0.00029   0.00029   0.00058   2.09222
   A173       2.08769  -0.00011  -0.00076   0.00026  -0.00050   2.08719
   A174       2.11955  -0.00006   0.00010   0.00028   0.00038   2.11993
   A175       2.08397   0.00019   0.00086   0.00009   0.00095   2.08491
   A176       2.07966  -0.00013  -0.00095  -0.00037  -0.00132   2.07834
   A177       2.05709  -0.00057  -0.00236   0.00053  -0.00185   2.05524
   A178       2.11984  -0.00019  -0.00158   0.00041  -0.00117   2.11867
   A179       2.10625   0.00076   0.00394  -0.00095   0.00300   2.10924
   A180       2.05708  -0.00059  -0.00238   0.00046  -0.00194   2.05514
   A181       2.11988  -0.00018  -0.00154   0.00040  -0.00114   2.11875
   A182       2.10621   0.00077   0.00391  -0.00086   0.00305   2.10926
   A183       2.11958  -0.00005   0.00016   0.00028   0.00045   2.12003
   A184       2.07960  -0.00014  -0.00099  -0.00042  -0.00141   2.07819
   A185       2.08398   0.00019   0.00084   0.00014   0.00097   2.08496
   A186       2.10382   0.00008   0.00043  -0.00053  -0.00009   2.10373
   A187       2.08778  -0.00011  -0.00073   0.00024  -0.00049   2.08728
   A188       2.09157   0.00003   0.00030   0.00028   0.00058   2.09215
   A189       2.07954   0.00009   0.00028  -0.00000   0.00028   2.07982
   A190       2.10203  -0.00029  -0.00164  -0.00014  -0.00178   2.10025
   A191       2.10161   0.00020   0.00135   0.00014   0.00149   2.10311
   A192       2.07970   0.00009   0.00030  -0.00004   0.00026   2.07996
   A193       2.10204  -0.00029  -0.00170  -0.00012  -0.00182   2.10022
   A194       2.10144   0.00021   0.00139   0.00016   0.00156   2.10299
   A195       2.10390   0.00008   0.00043  -0.00052  -0.00008   2.10382
   A196       2.09157   0.00003   0.00030   0.00027   0.00056   2.09213
   A197       2.08770  -0.00011  -0.00073   0.00025  -0.00048   2.08722
   A198       2.11958  -0.00005   0.00014   0.00031   0.00046   2.12003
   A199       2.08386   0.00019   0.00082   0.00013   0.00095   2.08481
   A200       2.07973  -0.00014  -0.00096  -0.00044  -0.00140   2.07833
   A201       2.05707  -0.00060  -0.00234   0.00039  -0.00197   2.05510
   A202       2.11891  -0.00020  -0.00164   0.00043  -0.00121   2.11770
   A203       2.10720   0.00079   0.00398  -0.00082   0.00316   2.11037
   A204       2.05690  -0.00058  -0.00243   0.00057  -0.00187   2.05503
   A205       2.11884  -0.00018  -0.00159   0.00048  -0.00111   2.11773
   A206       2.10744   0.00076   0.00401  -0.00106   0.00295   2.11040
   A207       2.11957  -0.00005   0.00012   0.00031   0.00044   2.12001
   A208       2.07971  -0.00013  -0.00097  -0.00036  -0.00133   2.07838
   A209       2.08390   0.00018   0.00085   0.00005   0.00090   2.08479
   A210       2.10400   0.00008   0.00048  -0.00061  -0.00012   2.10388
   A211       2.08763  -0.00011  -0.00077   0.00028  -0.00050   2.08713
   A212       2.09154   0.00003   0.00029   0.00032   0.00061   2.09215
   A213       2.07963   0.00009   0.00024   0.00004   0.00028   2.07991
   A214       2.10199  -0.00028  -0.00163  -0.00011  -0.00174   2.10025
   A215       2.10157   0.00019   0.00138   0.00007   0.00145   2.10302
   A216       2.07969   0.00009   0.00031  -0.00004   0.00028   2.07996
   A217       2.10198  -0.00029  -0.00165  -0.00012  -0.00177   2.10021
   A218       2.10152   0.00020   0.00133   0.00015   0.00149   2.10300
   A219       2.10390   0.00008   0.00042  -0.00053  -0.00010   2.10380
   A220       2.09157   0.00003   0.00030   0.00027   0.00056   2.09213
   A221       2.08770  -0.00011  -0.00072   0.00026  -0.00047   2.08723
   A222       2.11950  -0.00005   0.00014   0.00030   0.00045   2.11995
   A223       2.08382   0.00019   0.00084   0.00014   0.00098   2.08480
   A224       2.07984  -0.00014  -0.00097  -0.00045  -0.00142   2.07842
   A225       2.05709  -0.00059  -0.00232   0.00042  -0.00192   2.05517
   A226       2.11914  -0.00018  -0.00160   0.00052  -0.00108   2.11806
   A227       2.10695   0.00077   0.00392  -0.00094   0.00298   2.10993
   A228       2.05689  -0.00059  -0.00244   0.00055  -0.00190   2.05498
   A229       2.11934  -0.00016  -0.00153   0.00059  -0.00094   2.11841
   A230       2.10695   0.00075   0.00397  -0.00115   0.00282   2.10978
   A231       2.11957  -0.00005   0.00014   0.00031   0.00045   2.12003
   A232       2.07973  -0.00015  -0.00106  -0.00038  -0.00144   2.07828
   A233       2.08387   0.00020   0.00093   0.00007   0.00100   2.08487
   A234       2.10398   0.00008   0.00048  -0.00060  -0.00011   2.10387
   A235       2.08766  -0.00011  -0.00076   0.00028  -0.00049   2.08717
   A236       2.09153   0.00003   0.00028   0.00032   0.00060   2.09213
   A237       2.07955   0.00009   0.00023   0.00004   0.00028   2.07982
   A238       2.10212  -0.00029  -0.00167  -0.00014  -0.00181   2.10031
   A239       2.10152   0.00020   0.00143   0.00010   0.00153   2.10305
   A240       2.01484  -0.00019   0.00164   0.00464   0.00603   2.02087
   A241       1.82502  -0.00102  -0.00364   0.00189  -0.00019   1.82483
   A242       1.72094  -0.00172  -0.00090  -0.01445  -0.01592   1.70502
   A243       2.05553   0.00071  -0.00269   0.00369   0.00053   2.05605
   A244       2.02935   0.00053  -0.00243   0.00764   0.00549   2.03484
   A245       1.77177   0.00137   0.00871  -0.00750   0.00079   1.77256
   A246       2.10655   0.00105   0.01004   0.00662   0.01800   2.12455
   A247       2.05165   0.00103   0.00565   0.00115   0.00681   2.05845
   A248       1.87880   0.00047  -0.00086  -0.00260  -0.00424   1.87456
   A249       1.86646  -0.00021  -0.00078   0.00250   0.00281   1.86928
   A250       1.88700  -0.00036  -0.00076   0.00348   0.00265   1.88965
   A251       1.97673  -0.00032   0.00064  -0.00389  -0.00358   1.97315
   A252       1.97495  -0.00005   0.00051  -0.00017   0.00088   1.97583
   A253       1.87519   0.00045   0.00104   0.00119   0.00187   1.87706
   A254       1.90611  -0.00022  -0.00127  -0.00089  -0.00216   1.90395
   A255       1.94117  -0.00005   0.00013  -0.00002   0.00011   1.94128
   A256       1.94146  -0.00004  -0.00042   0.00025  -0.00017   1.94129
   A257       1.88936   0.00012   0.00050   0.00033   0.00084   1.89019
   A258       1.88971   0.00007  -0.00009   0.00020   0.00012   1.88983
   A259       1.89460   0.00012   0.00118   0.00013   0.00131   1.89592
   A260       1.88257  -0.00031  -0.00153  -0.00012  -0.00166   1.88091
   A261       1.89160  -0.00002  -0.00107   0.00138   0.00031   1.89191
   A262       1.89443  -0.00008  -0.00068  -0.00055  -0.00124   1.89319
   A263       1.94442   0.00031   0.00216   0.00029   0.00246   1.94687
   A264       1.94903   0.00036   0.00271   0.00003   0.00274   1.95178
   A265       1.90028  -0.00028  -0.00177  -0.00098  -0.00274   1.89754
   A266       1.93957  -0.00014  -0.00074  -0.00085  -0.00159   1.93798
   A267       1.91351  -0.00020  -0.00164   0.00059  -0.00105   1.91246
   A268       1.93485   0.00000   0.00034  -0.00022   0.00012   1.93497
   A269       1.89052   0.00015   0.00075   0.00037   0.00112   1.89164
   A270       1.89321   0.00008   0.00044   0.00009   0.00053   1.89374
   A271       1.89095   0.00011   0.00091   0.00005   0.00097   1.89191
   A272       1.92701  -0.00051  -0.00324  -0.00391  -0.00679   1.92022
   A273       1.74297  -0.00033  -0.00112  -0.00416  -0.00541   1.73756
   A274       1.57835   0.00029   0.00353   0.01538   0.01943   1.59778
   A275       1.70872   0.00029   0.00495   0.00523   0.01131   1.72003
   A276       1.15144   0.00042  -0.00009   0.00946   0.00978   1.16121
   A277       1.30317   0.00043   0.00302   0.00238   0.00674   1.30991
   A278       0.60877   0.00003  -0.00207  -0.00332  -0.00553   0.60324
    D1        0.00800   0.00001   0.00148  -0.00045   0.00102   0.00902
    D2        3.07790   0.00044   0.01391   0.01087   0.02474   3.10264
    D3       -3.13219   0.00004   0.00096  -0.00088   0.00006  -3.13212
    D4       -0.06229   0.00047   0.01339   0.01044   0.02379  -0.03850
    D5       -0.03973   0.00017   0.00360   0.00458   0.00815  -0.03157
    D6        3.08659   0.00042   0.00813   0.00950   0.01759   3.10418
    D7        3.10046   0.00014   0.00411   0.00501   0.00910   3.10957
    D8       -0.05640   0.00039   0.00865   0.00993   0.01854  -0.03786
    D9        2.47204   0.00021   0.02318   0.00481   0.02799   2.50002
   D10       -0.66972   0.00021   0.02387   0.00352   0.02738  -0.64234
   D11       -0.66811   0.00024   0.02263   0.00437   0.02701  -0.64110
   D12        2.47332   0.00024   0.02332   0.00308   0.02640   2.49972
   D13        0.05221  -0.00028  -0.00875  -0.00484  -0.01354   0.03867
   D14       -3.03017  -0.00029  -0.00263  -0.00476  -0.00732  -3.03748
   D15       -3.01690  -0.00072  -0.02121  -0.01631  -0.03759  -3.05449
   D16        0.18391  -0.00073  -0.01509  -0.01624  -0.03136   0.15255
   D17       -0.08142   0.00036   0.01092   0.00610   0.01701  -0.06441
   D18        3.02964   0.00035   0.00987   0.00567   0.01555   3.04519
   D19        3.00351   0.00035   0.00488   0.00595   0.01082   3.01433
   D20       -0.16862   0.00035   0.00383   0.00552   0.00936  -0.15926
   D21       -2.94514  -0.00023  -0.01457  -0.00923  -0.02375  -2.96888
   D22        0.30603  -0.00045  -0.02039  -0.01180  -0.03227   0.27376
   D23        0.25568  -0.00024  -0.00841  -0.00912  -0.01747   0.23821
   D24       -2.77634  -0.00045  -0.01423  -0.01168  -0.02599  -2.80233
   D25        0.05167  -0.00020  -0.00637  -0.00209  -0.00837   0.04330
   D26       -3.11039  -0.00021  -0.00639  -0.00377  -0.01010  -3.12049
   D27       -3.05948  -0.00020  -0.00525  -0.00169  -0.00695  -3.06642
   D28        0.06165  -0.00020  -0.00527  -0.00337  -0.00868   0.05297
   D29       -0.22226   0.00015   0.00294   0.00541   0.00825  -0.21401
   D30        2.91466   0.00041   0.01665   0.00232   0.01876   2.93342
   D31        2.88867   0.00016   0.00189   0.00498   0.00684   2.89551
   D32       -0.25759   0.00041   0.01560   0.00189   0.01735  -0.24024
   D33        0.01006  -0.00007  -0.00115  -0.00334  -0.00447   0.00558
   D34       -3.11634  -0.00031  -0.00556  -0.00822  -0.01384  -3.13018
   D35       -3.11073  -0.00004  -0.00099  -0.00161  -0.00256  -3.11329
   D36        0.04605  -0.00028  -0.00540  -0.00649  -0.01192   0.03414
   D37        0.05897  -0.00016   0.00608   0.00178   0.00766   0.06663
   D38       -2.95478  -0.00037   0.00525   0.00039   0.00538  -2.94940
   D39        3.09343   0.00016   0.01152   0.00454   0.01606   3.10949
   D40        0.07968  -0.00005   0.01069   0.00315   0.01377   0.09345
   D41        3.01656   0.00026  -0.00163   0.00171   0.00025   3.01681
   D42       -0.03082  -0.00014  -0.00608  -0.01102  -0.01703  -0.04785
   D43       -0.01704   0.00000  -0.00735  -0.00099  -0.00837  -0.02540
   D44       -3.06442  -0.00039  -0.01181  -0.01372  -0.02564  -3.09006
   D45       -0.44253  -0.00003  -0.00013   0.00800   0.00765  -0.43489
   D46        3.12264   0.00001  -0.01688   0.01428  -0.00255   3.12010
   D47        1.13494   0.00052  -0.00796   0.03275   0.02410   1.15905
   D48        2.56650   0.00041   0.00027   0.00992   0.01008   2.57658
   D49       -0.15151   0.00045  -0.01648   0.01620  -0.00011  -0.15162
   D50       -2.13921   0.00096  -0.00756   0.03467   0.02654  -2.11267
   D51       -0.07982   0.00011  -0.00587  -0.00361  -0.00936  -0.08919
   D52        3.03135   0.00002  -0.01810  -0.00033  -0.01842   3.01293
   D53       -3.09085  -0.00014  -0.00596  -0.00527  -0.01115  -3.10200
   D54        0.02033  -0.00023  -0.01820  -0.00199  -0.02022   0.00011
   D55        0.52182   0.00013  -0.00357  -0.01166  -0.01481   0.50701
   D56       -2.61486  -0.00014  -0.01794  -0.00842  -0.02584  -2.64070
   D57       -3.02468  -0.00063   0.01217  -0.01836  -0.00669  -3.03137
   D58        0.12182  -0.00091  -0.00220  -0.01513  -0.01771   0.10410
   D59       -1.26099   0.00004  -0.00203  -0.02341  -0.02556  -1.28654
   D60        1.88551  -0.00024  -0.01640  -0.02017  -0.03658   1.84893
   D61        2.58643   0.00086   0.00971   0.01101   0.02108   2.60751
   D62       -0.96997   0.00171   0.01955   0.03032   0.05071  -0.91926
   D63       -0.12408   0.00064  -0.00751   0.01600   0.00870  -0.11538
   D64        2.60270   0.00150   0.00234   0.03531   0.03834   2.64104
   D65        2.43702  -0.00233  -0.01281  -0.02176  -0.03416   2.40287
   D66        1.84031  -0.00237  -0.00956  -0.02098  -0.03092   1.80939
   D67       -1.83341  -0.00055  -0.01052  -0.01312  -0.02222  -1.85563
   D68       -2.43012  -0.00059  -0.00727  -0.01233  -0.01899  -2.44911
   D69        3.11023   0.00035  -0.00403   0.00698   0.00332   3.11355
   D70       -0.03631   0.00063   0.01044   0.00371   0.01443  -0.02187
   D71       -0.04783   0.00007  -0.00107  -0.00071  -0.00182  -0.04964
   D72        3.13371  -0.00002   0.00065  -0.00291  -0.00230   3.13142
   D73        2.99988   0.00046   0.00329   0.01212   0.01539   3.01527
   D74       -0.10177   0.00037   0.00501   0.00992   0.01491  -0.08686
   D75        0.04918   0.00001   0.00634   0.00037   0.00666   0.05584
   D76       -3.11921   0.00011   0.00772   0.00506   0.01275  -3.10646
   D77       -3.13258   0.00010   0.00466   0.00257   0.00719  -3.12539
   D78       -0.01778   0.00020   0.00604   0.00726   0.01328  -0.00451
   D79        2.59376  -0.00053   0.00017  -0.01115  -0.01097   2.58279
   D80       -0.55189  -0.00051  -0.00004  -0.01096  -0.01099  -0.56288
   D81       -0.50621  -0.00067   0.00186  -0.01350  -0.01164  -0.51785
   D82        2.63133  -0.00065   0.00166  -0.01331  -0.01166   2.61966
   D83        0.01449  -0.00012  -0.00280   0.00177  -0.00100   0.01349
   D84       -3.09734   0.00001   0.00948  -0.00134   0.00815  -3.08918
   D85       -3.10079  -0.00020  -0.00403  -0.00277  -0.00683  -3.10762
   D86        0.07056  -0.00007   0.00826  -0.00589   0.00233   0.07289
   D87        0.05340  -0.00020   0.00876  -0.00750   0.00132   0.05472
   D88       -3.02406  -0.00022   0.00850  -0.00945  -0.00094  -3.02500
   D89       -2.67529  -0.00070   0.00166  -0.03182  -0.03038  -2.70567
   D90        0.53044  -0.00072   0.00140  -0.03377  -0.03264   0.49779
   D91       -0.96813   0.00026   0.00703  -0.01764  -0.01065  -0.97877
   D92        2.23760   0.00024   0.00677  -0.01959  -0.01290   2.22469
   D93        0.11409   0.00018  -0.01597   0.00292  -0.01312   0.10097
   D94       -2.17323   0.00024  -0.01047  -0.00718  -0.01828  -2.19151
   D95        2.28863  -0.00045  -0.01862   0.00476  -0.01423   2.27441
   D96        2.84299   0.00080  -0.00845   0.02508   0.01691   2.85989
   D97        0.55567   0.00086  -0.00295   0.01498   0.01175   0.56742
   D98       -1.26565   0.00018  -0.01110   0.02693   0.01580  -1.24985
   D99        0.86424   0.00041  -0.00317   0.01933   0.01649   0.88073
   D100      -1.42308   0.00048   0.00233   0.00923   0.01134  -1.41174
   D101       3.03878  -0.00021  -0.00583   0.02117   0.01538   3.05417
   D102      -0.99148  -0.00022  -0.00626  -0.00619  -0.01214  -1.00361
   D103      -1.61967  -0.00015  -0.00174  -0.00300  -0.00494  -1.62461
   D104       1.08471   0.00094   0.00334  -0.00905  -0.00520   1.07951
   D105       0.45652   0.00101   0.00785  -0.00587   0.00200   0.45851
   D106       0.03456  -0.00015  -0.00084  -0.00386  -0.00486   0.02970
   D107      -3.09246  -0.00019  -0.00730  -0.00224  -0.00957  -3.10204
   D108       3.11512  -0.00014  -0.00015  -0.00264  -0.00296   3.11216
   D109      -0.01190  -0.00018  -0.00661  -0.00101  -0.00768  -0.01958
   D110       3.09355   0.00011   0.00409   0.00380   0.00796   3.10150
   D111      -0.04831   0.00035   0.01259   0.00377   0.01645  -0.03186
   D112       0.01581   0.00013   0.00380   0.00206   0.00590   0.02170
   D113      -3.12605   0.00037   0.01230   0.00204   0.01439  -3.11166
   D114      -0.04251  -0.00008  -0.00892   0.00578  -0.00314  -0.04565
   D115       3.08486  -0.00004  -0.00252   0.00410   0.00144   3.08630
   D116       0.00025   0.00008   0.00415  -0.00146   0.00268   0.00293
   D117       3.10485   0.00022   0.00596   0.00552   0.01147   3.11632
   D118      -3.12749   0.00004  -0.00206   0.00016  -0.00178  -3.12927
   D119      -0.02290   0.00018  -0.00026   0.00714   0.00701  -0.01589
   D120      -0.00826   0.00002   0.00166  -0.00069   0.00095  -0.00731
   D121       3.09843   0.00036   0.00869   0.00637   0.01510   3.11353
   D122       3.13359  -0.00021  -0.00680  -0.00067  -0.00743   3.12616
   D123      -0.04291   0.00012   0.00023   0.00639   0.00672  -0.03619
   D124      -0.00352  -0.00012  -0.00423  -0.00164  -0.00589  -0.00941
   D125      -3.14005  -0.00007  -0.00238  -0.00276  -0.00513   3.13801
   D126      -3.10963  -0.00048  -0.01159  -0.00882  -0.02035  -3.12998
   D127       0.03703  -0.00043  -0.00973  -0.00994  -0.01959   0.01744
   D128       0.00745   0.00007   0.00127   0.00271   0.00402   0.01147
   D129      -3.09522  -0.00008  -0.00067  -0.00461  -0.00522  -3.10044
   D130      -3.13921   0.00001  -0.00060   0.00383   0.00325  -3.13596
   D131       0.04130  -0.00014  -0.00255  -0.00349  -0.00598   0.03532
   D132       0.57304   0.00021  -0.01095   0.00627  -0.00468   0.56836
   D133      -2.57074   0.00024  -0.01009   0.00732  -0.00277  -2.57350
   D134      -2.56326   0.00027  -0.00899   0.00509  -0.00390  -2.56716
   D135       0.57615   0.00030  -0.00813   0.00615  -0.00199   0.57416
   D136      -3.13355   0.00001   0.00016  -0.00099  -0.00084  -3.13439
   D137      -0.05067   0.00030   0.00592   0.00573   0.01160  -0.03908
   D138       0.00820   0.00002  -0.00050   0.00026  -0.00026   0.00794
   D139       3.09107   0.00031   0.00527   0.00697   0.01219   3.10326
   D140      -3.13669   0.00002  -0.00012   0.00147   0.00134  -3.13534
   D141      -0.05603   0.00040   0.00831   0.00836   0.01659  -0.03943
   D142       0.00475   0.00001   0.00054   0.00022   0.00075   0.00550
   D143       3.08541   0.00039   0.00896   0.00711   0.01600   3.10141
   D144      -3.13508   0.00003   0.00040  -0.00147  -0.00110  -3.13617
   D145      -0.05286   0.00024   0.00252   0.00670   0.00916  -0.04370
   D146       0.01042   0.00001   0.00060  -0.00165  -0.00106   0.00936
   D147       3.09263   0.00022   0.00272   0.00652   0.00920   3.10183
   D148      -3.13293  -0.00002  -0.00054   0.00076   0.00022  -3.13271
   D149      -0.06128   0.00036   0.00546   0.01022   0.01561  -0.04567
   D150       0.00477  -0.00000  -0.00075   0.00094   0.00018   0.00496
   D151       3.07643   0.00038   0.00525   0.01040   0.01557   3.09199
   D152       3.13165  -0.00001   0.00009   0.00152   0.00163   3.13328
   D153       0.04725  -0.00024  -0.00350  -0.00535  -0.00880   0.03845
   D154      -0.00784  -0.00003  -0.00073   0.00051  -0.00021  -0.00805
   D155      -3.09224  -0.00026  -0.00432  -0.00637  -0.01064  -3.10288
   D156       3.13794   0.00001   0.00011  -0.00092  -0.00080   3.13714
   D157       0.05362  -0.00030  -0.00507  -0.00757  -0.01259   0.04102
   D158      -0.00575   0.00003   0.00093   0.00010   0.00104  -0.00471
   D159      -3.09008  -0.00027  -0.00425  -0.00655  -0.01075  -3.10083
   D160      -0.01590  -0.00000  -0.00023   0.00098   0.00077  -0.01513
   D161       3.11055  -0.00010  -0.00358  -0.00188  -0.00544   3.10511
   D162      -3.09914  -0.00015  -0.00204  -0.00687  -0.00896  -3.10810
   D163       0.02731  -0.00025  -0.00540  -0.00972  -0.01517   0.01214
   D164       0.00590   0.00001   0.00003   0.00045   0.00048   0.00639
   D165      -3.13377  -0.00001  -0.00033   0.00009  -0.00025  -3.13403
   D166      -3.12058   0.00009   0.00331   0.00329   0.00659  -3.11399
   D167       0.02293   0.00007   0.00295   0.00293   0.00586   0.02878
   D168       0.00908  -0.00000  -0.00021  -0.00114  -0.00136   0.00771
   D169      -3.11201   0.00000   0.00146   0.00126   0.00269  -3.10932
   D170      -3.13443   0.00002   0.00016  -0.00078  -0.00063  -3.13506
   D171       0.02767   0.00002   0.00183   0.00162   0.00343   0.03110
   D172       0.98776  -0.00052  -0.01559  -0.01441  -0.03000   0.95775
   D173      -2.15061  -0.00051  -0.01617  -0.01413  -0.03029  -2.18091
   D174      -2.15188  -0.00054  -0.01597  -0.01478  -0.03076  -2.18264
   D175       0.99293  -0.00054  -0.01656  -0.01450  -0.03105   0.96188
   D176      -0.01458   0.00001   0.00061   0.00044   0.00106  -0.01352
   D177      -3.08721  -0.00031  -0.00499  -0.00868  -0.01376  -3.10097
   D178       3.10646  -0.00001  -0.00114  -0.00197  -0.00310   3.10336
   D179       0.03383  -0.00033  -0.00675  -0.01109  -0.01792   0.01591
   D180      -0.01381  -0.00003   0.00014  -0.00049  -0.00034  -0.01415
   D181       3.11129  -0.00007  -0.00213  -0.00282  -0.00493   3.10636
   D182      -3.09703  -0.00029  -0.00539  -0.00716  -0.01261  -3.10964
   D183       0.02807  -0.00033  -0.00766  -0.00949  -0.01720   0.01086
   D184       0.00626   0.00001   0.00026   0.00023   0.00049   0.00675
   D185      -3.13415   0.00001  -0.00026   0.00058   0.00032  -3.13383
   D186      -3.11889   0.00004   0.00246   0.00255   0.00499  -3.11391
   D187       0.02387   0.00004   0.00194   0.00290   0.00482   0.02870
   D188       0.00653   0.00002  -0.00026   0.00023  -0.00003   0.00650
   D189      -3.11711   0.00001   0.00065   0.00266   0.00328  -3.11383
   D190      -3.13623   0.00002   0.00025  -0.00012   0.00013  -3.13611
   D191       0.02330   0.00001   0.00116   0.00230   0.00345   0.02675
   D192      -2.11899  -0.00048  -0.01607  -0.01367  -0.02974  -2.14873
   D193       1.02765  -0.00047  -0.01605  -0.01336  -0.02941   0.99824
   D194       1.02380  -0.00048  -0.01660  -0.01330  -0.02991   0.99389
   D195      -2.11274  -0.00047  -0.01658  -0.01300  -0.02958  -2.14233
   D196      -0.01216  -0.00003  -0.00014  -0.00047  -0.00060  -0.01276
   D197      -3.09319  -0.00038  -0.00824  -0.00737  -0.01568  -3.10887
   D198       3.11140  -0.00003  -0.00112  -0.00291  -0.00401   3.10740
   D199       0.03038  -0.00038  -0.00922  -0.00981  -0.01909   0.01128
   D200       0.01425   0.00000   0.00016  -0.00073  -0.00058   0.01367
   D201      -3.11252   0.00009   0.00316   0.00239   0.00554  -3.10698
   D202       3.09938   0.00019   0.00351   0.00598   0.00954   3.10891
   D203      -0.02740   0.00028   0.00651   0.00911   0.01566  -0.01174
   D204      -0.00686   0.00001   0.00017   0.00033   0.00050  -0.00636
   D205       3.13454   0.00001   0.00038  -0.00015   0.00024   3.13478
   D206       3.11996  -0.00006  -0.00276  -0.00278  -0.00552   3.11443
   D207      -0.02182  -0.00006  -0.00254  -0.00326  -0.00579  -0.02761
   D208      -0.00655  -0.00001   0.00007   0.00027   0.00035  -0.00621
   D209       3.11793  -0.00004  -0.00187  -0.00292  -0.00477   3.11316
   D210       3.13523  -0.00001  -0.00014   0.00075   0.00061   3.13584
   D211      -0.02347  -0.00004  -0.00209  -0.00244  -0.00451  -0.02798
   D212       2.12703   0.00051   0.01673   0.01403   0.03075   2.15777
   D213      -1.01282   0.00051   0.01638   0.01411   0.03048  -0.98234
   D214      -1.01476   0.00050   0.01695   0.01354   0.03048  -0.98427
   D215       2.12859   0.00051   0.01660   0.01362   0.03022   2.15880
   D216       0.01301  -0.00001  -0.00066  -0.00049  -0.00115   0.01186
   D217       3.09795   0.00025   0.00426   0.00600   0.01032   3.10827
   D218      -3.11142   0.00003   0.00136   0.00271   0.00407  -3.10735
   D219      -0.02649   0.00029   0.00628   0.00921   0.01553  -0.01095
   D220      -3.13745  -0.00000  -0.00052   0.00065   0.00014  -3.13731
   D221       0.01824   0.00019   0.00608   0.00492   0.01105   0.02929
   D222      -0.00018  -0.00001  -0.00054   0.00039  -0.00013  -0.00032
   D223      -3.12767   0.00019   0.00606   0.00466   0.01078  -3.11690
   D224       3.13705  -0.00003  -0.00018  -0.00049  -0.00066   3.13639
   D225       0.00884   0.00018   0.00627   0.00445   0.01076   0.01960
   D226      -0.00021  -0.00002  -0.00017  -0.00023  -0.00039  -0.00061
   D227      -3.12843   0.00019   0.00628   0.00470   0.01103  -3.11739
   D228      -3.13909  -0.00001  -0.00053   0.00019  -0.00032  -3.13941
   D229       0.02088   0.00018   0.00550   0.00473   0.01029   0.03117
   D230      -0.00026  -0.00001  -0.00003  -0.00005  -0.00007  -0.00033
   D231      -3.12347   0.00018   0.00600   0.00449   0.01054  -3.11293
   D232       3.13830  -0.00002  -0.00011   0.00002  -0.00008   3.13822
   D233       0.01408   0.00018   0.00613   0.00451   0.01069   0.02477
   D234      -0.00054  -0.00002  -0.00060   0.00026  -0.00033  -0.00087
   D235      -3.12475   0.00018   0.00564   0.00475   0.01044  -3.11432
   D236      -3.13980   0.00001   0.00041  -0.00044  -0.00004  -3.13984
   D237      -0.01250  -0.00019  -0.00620  -0.00506  -0.01131  -0.02381
   D238       0.00029   0.00001   0.00070  -0.00051   0.00019   0.00048
   D239       3.12759  -0.00020  -0.00590  -0.00513  -0.01108   3.11652
   D240       3.14031   0.00002   0.00032   0.00028   0.00059   3.14090
   D241      -0.01628  -0.00018  -0.00583  -0.00467  -0.01055  -0.02683
   D242       0.00022   0.00002   0.00002   0.00034   0.00036   0.00057
   D243       3.12681  -0.00018  -0.00613  -0.00461  -0.01078   3.11603
   D244       0.00092   0.00003   0.00063  -0.00018   0.00044   0.00136
   D245      -3.12797  -0.00003  -0.00027  -0.00142  -0.00171  -3.12968
   D246       3.12594  -0.00016  -0.00500  -0.00424  -0.00921   3.11673
   D247      -0.00295  -0.00022  -0.00591  -0.00549  -0.01136  -0.01431
   D248       3.12654  -0.00007  -0.00227  -0.00056  -0.00284   3.12370
   D249      -0.00992  -0.00002  -0.00066   0.00173   0.00105  -0.00887
   D250       0.00531   0.00016   0.00453   0.00445   0.00895   0.01427
   D251      -3.13115   0.00020   0.00613   0.00674   0.01285  -3.11830
   D252      -0.00122  -0.00004  -0.00098   0.00033  -0.00063  -0.00185
   D253       3.12556   0.00003   0.00028   0.00193   0.00224   3.12781
   D254       3.12514   0.00003   0.00006   0.00185   0.00194   3.12708
   D255      -0.03126   0.00010   0.00132   0.00345   0.00481  -0.02645
   D256      -0.00172   0.00011   0.00269   0.00263   0.00531   0.00359
   D257       3.13759   0.00008   0.00194   0.00154   0.00347   3.14107
   D258      -3.12654   0.00003   0.00151   0.00096   0.00247  -3.12407
   D259       0.01278  -0.00000   0.00076  -0.00013   0.00063   0.01341
   D260       0.00109   0.00004   0.00098  -0.00036   0.00060   0.00169
   D261       3.12702  -0.00016  -0.00484  -0.00439  -0.00919   3.11783
   D262      -3.12816  -0.00003  -0.00011  -0.00167  -0.00180  -3.12996
   D263      -0.00223  -0.00022  -0.00594  -0.00570  -0.01159  -0.01382
   D264      -3.12744   0.00003   0.00140   0.00096   0.00234  -3.12510
   D265       0.01310  -0.00001   0.00042  -0.00028   0.00013   0.01323
   D266      -0.00216   0.00012   0.00283   0.00271   0.00552   0.00336
   D267       3.13838   0.00008   0.00185   0.00147   0.00331  -3.14149
   D268       3.12721  -0.00007  -0.00255  -0.00031  -0.00289   3.12432
   D269      -0.01142  -0.00002  -0.00073   0.00216   0.00142  -0.01000
   D270       0.00487   0.00016   0.00447   0.00464   0.00909   0.01395
   D271      -3.13376   0.00021   0.00630   0.00712   0.01339  -3.12037
   D272       0.00049   0.00003   0.00101  -0.00040   0.00059   0.00109
   D273      -3.12970  -0.00003   0.00006  -0.00179  -0.00175  -3.13145
   D274       3.12936  -0.00016  -0.00513  -0.00423  -0.00932   3.12004
   D275      -0.00084  -0.00023  -0.00608  -0.00562  -0.01167  -0.01250
   D276       3.12913  -0.00007  -0.00279  -0.00002  -0.00284   3.12630
   D277      -0.00876  -0.00001  -0.00078   0.00221   0.00142  -0.00734
   D278       0.00316   0.00016   0.00463   0.00469   0.00929   0.01245
   D279      -3.13473   0.00022   0.00664   0.00693   0.01355  -3.12118
   D280      -0.00061  -0.00005  -0.00109   0.00025  -0.00082  -0.00143
   D281       3.12789   0.00002  -0.00005   0.00152   0.00149   3.12938
   D282       3.12729   0.00003   0.00001   0.00195   0.00199   3.12929
   D283      -0.02739   0.00009   0.00104   0.00322   0.00430  -0.02309
   D284      -0.00234   0.00012   0.00288   0.00257   0.00543   0.00309
   D285       3.13816   0.00007   0.00180   0.00147   0.00326   3.14141
   D286      -3.12885   0.00003   0.00163   0.00070   0.00232  -3.12654
   D287       0.01164  -0.00001   0.00055  -0.00039   0.00015   0.01179
   D288       0.00051   0.00004   0.00078  -0.00002   0.00075   0.00126
   D289       3.13004  -0.00016  -0.00520  -0.00445  -0.00963   3.12041
   D290      -3.13018  -0.00002  -0.00011  -0.00105  -0.00117  -3.13135
   D291      -0.00065  -0.00022  -0.00610  -0.00549  -0.01156  -0.01221
   D292      -3.12957   0.00004   0.00179   0.00125   0.00303  -3.12654
   D293       0.01121  -0.00000   0.00076  -0.00002   0.00074   0.01194
   D294      -0.00240   0.00012   0.00297   0.00264   0.00559   0.00319
   D295       3.13838   0.00008   0.00194   0.00136   0.00329  -3.14151
   D296       3.12982  -0.00009  -0.00267  -0.00097  -0.00366   3.12616
   D297      -0.00977  -0.00003  -0.00092   0.00155   0.00061  -0.00916
   D298       0.00305   0.00015   0.00458   0.00448   0.00903   0.01208
   D299      -3.13654   0.00021   0.00633   0.00700   0.01331  -3.12324
   D300      -0.00067  -0.00004  -0.00114   0.00047  -0.00065  -0.00132
   D301       3.12956   0.00002  -0.00014   0.00170   0.00157   3.13113
   D302      -3.12937   0.00017   0.00501   0.00461   0.00959  -3.11978
   D303       0.00085   0.00023   0.00600   0.00584   0.01180   0.01266
   D304      -3.12910   0.00008   0.00285   0.00034   0.00322  -3.12589
   D305       0.01014   0.00002   0.00097  -0.00217  -0.00118   0.00896
   D306      -0.00335  -0.00016  -0.00457  -0.00476  -0.00931  -0.01265
   D307       3.13590  -0.00022  -0.00646  -0.00727  -0.01370   3.12219
   D308       0.00078   0.00005   0.00113  -0.00026   0.00085   0.00163
   D309      -3.12674  -0.00003  -0.00002  -0.00178  -0.00184  -3.12858
   D310      -3.12716  -0.00002  -0.00002  -0.00176  -0.00181  -3.12897
   D311       0.02850  -0.00010  -0.00118  -0.00328  -0.00450   0.02400
   D312       0.00234  -0.00012  -0.00280  -0.00276  -0.00554  -0.00320
   D313      -3.13830  -0.00008  -0.00190  -0.00150  -0.00340   3.14149
   D314       3.12890  -0.00003  -0.00150  -0.00112  -0.00260   3.12630
   D315      -0.01174   0.00001  -0.00060   0.00014  -0.00045  -0.01220
   D316      -0.00062  -0.00004  -0.00072  -0.00005  -0.00075  -0.00137
   D317      -3.12869   0.00015   0.00500   0.00440   0.00937  -3.11932
   D318       3.12926   0.00002   0.00028   0.00120   0.00149   3.13075
   D319       0.00119   0.00022   0.00600   0.00564   0.01161   0.01280
   D320       3.12849  -0.00003  -0.00157  -0.00103  -0.00259   3.12589
   D321      -0.01176   0.00001  -0.00061   0.00020  -0.00041  -0.01217
   D322       0.00238  -0.00012  -0.00288  -0.00270  -0.00556  -0.00318
   D323      -3.13786  -0.00008  -0.00192  -0.00147  -0.00338  -3.14124
   D324      -3.12869   0.00008   0.00241   0.00087   0.00331  -3.12539
   D325       0.00965   0.00002   0.00066  -0.00171  -0.00103   0.00862
   D326      -0.00372  -0.00015  -0.00450  -0.00459  -0.00907  -0.01278
   D327       3.13463  -0.00021  -0.00625  -0.00717  -0.01341   3.12122
   D328       0.00377   0.00004   0.00145   0.00108   0.00254   0.00631
   D329       3.13936   0.00007   0.00177   0.00026   0.00203   3.14139
   D330      -3.13677   0.00009   0.00244   0.00232   0.00476  -3.13201
   D331      -0.00118   0.00011   0.00276   0.00150   0.00425   0.00307
   D332      -0.00105  -0.00011  -0.00291  -0.00211  -0.00501  -0.00607
   D333       3.13473  -0.00001  -0.00082  -0.00186  -0.00268   3.13205
   D334      -3.13666  -0.00013  -0.00322  -0.00128  -0.00450  -3.14116
   D335      -0.00087  -0.00004  -0.00113  -0.00103  -0.00217  -0.00305
   D336      -0.00325   0.00001  -0.00004  -0.00077  -0.00082  -0.00407
   D337       3.13541  -0.00005  -0.00186  -0.00322  -0.00511   3.13029
   D338      -3.13904  -0.00008  -0.00213  -0.00102  -0.00315   3.14099
   D339      -0.00039  -0.00014  -0.00395  -0.00347  -0.00744  -0.00783
   D340      -0.00314   0.00001  -0.00009  -0.00071  -0.00081  -0.00395
   D341      -3.13764  -0.00009  -0.00230  -0.00103  -0.00333  -3.14097
   D342       3.13336  -0.00004  -0.00170  -0.00297  -0.00469   3.12867
   D343      -0.00113  -0.00014  -0.00391  -0.00330  -0.00722  -0.00835
   D344      -0.00143  -0.00011  -0.00297  -0.00204  -0.00501  -0.00644
   D345      -3.13600  -0.00014  -0.00324  -0.00129  -0.00453  -3.14053
   D346       3.13304  -0.00001  -0.00076  -0.00172  -0.00248   3.13056
   D347      -0.00153  -0.00004  -0.00103  -0.00097  -0.00201  -0.00353
   D348       0.00387   0.00005   0.00160   0.00103   0.00264   0.00651
   D349      -3.13544   0.00008   0.00236   0.00212   0.00448  -3.13096
   D350       3.13843   0.00007   0.00187   0.00028   0.00215   3.14058
   D351      -0.00089   0.00010   0.00263   0.00137   0.00400   0.00311
   D352       0.00300   0.00004   0.00140   0.00099   0.00239   0.00539
   D353       3.13899   0.00007   0.00179   0.00027   0.00207   3.14106
   D354      -3.13778   0.00008   0.00244   0.00226   0.00469  -3.13309
   D355      -0.00178   0.00011   0.00283   0.00155   0.00437   0.00259
   D356      -0.00055  -0.00010  -0.00292  -0.00197  -0.00488  -0.00542
   D357       3.13542  -0.00001  -0.00068  -0.00176  -0.00244   3.13298
   D358      -3.13655  -0.00013  -0.00331  -0.00125  -0.00456  -3.14111
   D359      -0.00059  -0.00004  -0.00107  -0.00105  -0.00213  -0.00271
   D360      -0.00246   0.00001  -0.00007  -0.00078  -0.00085  -0.00332
   D361       3.13714  -0.00005  -0.00181  -0.00328  -0.00511   3.13203
   D362      -3.13844  -0.00009  -0.00230  -0.00098  -0.00328   3.14146
   D363       0.00116  -0.00014  -0.00405  -0.00349  -0.00754  -0.00638
   D364      -0.00239   0.00001  -0.00012  -0.00085  -0.00099  -0.00338
   D365      -3.13761  -0.00008  -0.00199  -0.00116  -0.00315  -3.14076
   D366       3.13553  -0.00005  -0.00214  -0.00307  -0.00524   3.13029
   D367       0.00031  -0.00014  -0.00400  -0.00338  -0.00740  -0.00709
   D368      -0.00074  -0.00011  -0.00293  -0.00209  -0.00501  -0.00575
   D369      -3.13634  -0.00013  -0.00301  -0.00125  -0.00426  -3.14060
   D370       3.13447  -0.00002  -0.00106  -0.00179  -0.00285   3.13161
   D371      -0.00113  -0.00004  -0.00115  -0.00095  -0.00210  -0.00324
   D372       0.00312   0.00005   0.00148   0.00118   0.00267   0.00579
   D373      -3.13737   0.00009   0.00257   0.00228   0.00484  -3.13253
   D374       3.13871   0.00006   0.00157   0.00034   0.00191   3.14062
   D375      -0.00179   0.00010   0.00266   0.00144   0.00409   0.00230
   D376      -0.00335  -0.00004  -0.00145  -0.00105  -0.00250  -0.00585
   D377      -3.13850  -0.00007  -0.00186  -0.00027  -0.00214  -3.14064
   D378       3.13689  -0.00008  -0.00241  -0.00228  -0.00469   3.13221
   D379       0.00174  -0.00011  -0.00282  -0.00151  -0.00432  -0.00258
   D380       0.00076   0.00011   0.00294   0.00207   0.00500   0.00576
   D381      -3.13429   0.00001   0.00067   0.00183   0.00250  -3.13179
   D382       3.13593   0.00014   0.00335   0.00130   0.00464   3.14057
   D383       0.00087   0.00004   0.00108   0.00106   0.00214   0.00301
   D384       0.00275  -0.00001   0.00003   0.00076   0.00080   0.00356
   D385      -3.13561   0.00004   0.00179   0.00332   0.00513  -3.13048
   D386       3.13783   0.00009   0.00230   0.00101   0.00331   3.14113
   D387      -0.00054   0.00015   0.00406   0.00356   0.00763   0.00709
   D388       0.00272  -0.00001   0.00008   0.00077   0.00087   0.00358
   D389       3.13831   0.00009   0.00230   0.00112   0.00341  -3.14146
   D390      -3.13654   0.00005   0.00197   0.00326   0.00525  -3.13130
   D391      -0.00095   0.00015   0.00418   0.00360   0.00779   0.00684
   D392       0.00043   0.00011   0.00297   0.00219   0.00515   0.00558
   D393       3.13634   0.00014   0.00331   0.00131   0.00462   3.14096
   D394      -3.13515   0.00001   0.00075   0.00185   0.00261  -3.13254
   D395       0.00076   0.00004   0.00110   0.00097   0.00207   0.00284
   D396      -0.00299  -0.00005  -0.00154  -0.00114  -0.00269  -0.00568
   D397       3.13766  -0.00009  -0.00245  -0.00240  -0.00484   3.13282
   D398      -3.13889  -0.00007  -0.00189  -0.00026  -0.00215  -3.14104
   D399       0.00176  -0.00011  -0.00279  -0.00152  -0.00431  -0.00254
   D400       1.54571  -0.00025  -0.01394  -0.00253  -0.01574   1.52997
   D401      -0.71763   0.00038  -0.01071  -0.01346  -0.02426  -0.74188
   D402      -2.95442  -0.00193  -0.01320  -0.01977  -0.03251  -2.98694
   D403      -3.05966  -0.00001   0.00662   0.00014   0.00749  -3.05217
   D404      -0.89542  -0.00117   0.00687  -0.00030   0.00659  -0.88883
   D405       1.35809   0.00120   0.00878   0.00355   0.01159   1.36968
   D406       2.74890  -0.00010   0.00808  -0.00967  -0.00223   2.74667
   D407      -1.40480  -0.00033   0.00796  -0.01433  -0.00726  -1.41206
   D408       0.60973  -0.00010   0.00841  -0.00996  -0.00233   0.60739
   D409       3.02465  -0.00002   0.00337  -0.00344  -0.00008   3.02457
   D410      -1.15119   0.00016   0.00447  -0.00238   0.00209  -1.14910
   D411       0.91012  -0.00023   0.00139  -0.00308  -0.00169   0.90843
   D412       3.11819  -0.00001  -0.00041  -0.00217  -0.00227   3.11592
   D413      -1.08084  -0.00003  -0.00052  -0.00234  -0.00255  -1.08339
   D414       1.03341   0.00006   0.00078  -0.00201  -0.00092   1.03249
   D415       1.05861   0.00013   0.00071  -0.00127  -0.00089   1.05772
   D416      -3.14042   0.00011   0.00059  -0.00144  -0.00117  -3.14159
   D417      -1.02616   0.00020   0.00189  -0.00111   0.00046  -1.02570
   D418      -1.08099  -0.00018  -0.00161   0.00031  -0.00128  -1.08228
   D419       1.00316  -0.00020  -0.00172   0.00015  -0.00156   1.00160
   D420       3.11741  -0.00011  -0.00042   0.00048   0.00007   3.11748
   D421       1.52799  -0.00102  -0.01066  -0.01380  -0.02410   1.50389
   D422      -2.68846  -0.00077  -0.01184  -0.01762  -0.02955  -2.71801
   D423      -0.49442  -0.00072  -0.00992  -0.01965  -0.02950  -0.52392
   D424      -1.56993   0.00089   0.01031   0.01229   0.02126  -1.54867
   D425       2.63397   0.00058   0.01158   0.01330   0.02424   2.65820
   D426       0.43887   0.00069   0.00958   0.01755   0.02683   0.46570
   D427       1.05806   0.00001  -0.00098  -0.00165  -0.00263   1.05543
   D428      -3.13576  -0.00001  -0.00157  -0.00135  -0.00292  -3.13868
   D429      -1.04882   0.00000  -0.00127  -0.00104  -0.00232  -1.05114
   D430      -1.01589   0.00004   0.00002  -0.00343  -0.00341  -1.01930
   D431       1.07348   0.00002  -0.00057  -0.00313  -0.00370   1.06978
   D432      -3.12277   0.00004  -0.00027  -0.00282  -0.00310  -3.12587
   D433       3.13819  -0.00007  -0.00120  -0.00239  -0.00359   3.13461
   D434      -1.05562  -0.00009  -0.00179  -0.00209  -0.00387  -1.05950
   D435       1.03131  -0.00008  -0.00149  -0.00178  -0.00327   1.02804
   D436      -1.51140   0.00019   0.00020   0.02288   0.02256  -1.48885
   D437      -1.41336   0.00014  -0.00283   0.01833   0.01447  -1.39890
   D438       0.29105   0.00028   0.00520   0.01063   0.01578   0.30683
   D439       1.10735  -0.00027  -0.00787   0.00836   0.00055   1.10790
   D440       0.94204  -0.00022  -0.01076   0.00238  -0.00902   0.93302
   D441      -0.27658  -0.00036  -0.00533  -0.01014  -0.01534  -0.29192
         Item               Value     Threshold  Converged?
 Maximum Force            0.002511     0.000450     NO 
 RMS     Force            0.000509     0.000300     NO 
 Maximum Displacement     0.825640     0.001800     NO 
 RMS     Displacement     0.129370     0.001200     NO 
 Predicted change in Energy=-6.396758D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.726121    2.845000    0.407470
      2          6           0       -1.991415    1.473513    0.480696
      3          6           0       -0.966630    0.516565    0.469550
      4          6           0        0.371985    0.960738    0.429387
      5          6           0        0.646364    2.330503    0.323486
      6          6           0       -0.382521    3.257711    0.309196
      7          6           0       -1.232657   -0.927255    0.417044
      8          6           0       -0.175664   -1.859678    0.618814
      9          6           0        1.154448   -1.370981    0.960519
     10          6           0        1.475127   -0.000461    0.538297
     11          6           0       -2.493400   -1.412972    0.051367
     12          6           0       -2.751739   -2.773969   -0.153239
     13          6           0       -1.670824   -3.668150   -0.038553
     14          6           0       -0.417382   -3.217302    0.329865
     15          7           0        2.211389   -2.239371    1.191791
     16          6           0        3.528672   -1.814601    0.876338
     17          6           0        3.719658   -0.494302    0.400050
     18          7           0        2.684430    0.397971    0.265196
     19          6           0        4.641346   -2.668175    0.946910
     20          6           0        5.898244   -2.212685    0.581714
     21          6           0        6.116594   -0.895198    0.120893
     22          6           0        5.006650   -0.060513    0.034079
     23          6           0       -2.827871    3.835228    0.433196
     24          6           0       -4.103879   -3.244156   -0.526833
     25          6           0        7.469567   -0.427014   -0.260289
     26          6           0       -4.285820   -4.371993   -1.346758
     27          6           0       -5.556239   -4.811141   -1.703820
     28          6           0       -6.693651   -4.141765   -1.233860
     29          6           0       -6.530344   -3.022111   -0.407587
     30          6           0       -5.256010   -2.579808   -0.069146
     31          6           0       -2.680562    5.066098    1.095733
     32          6           0       -3.714436    5.996965    1.130849
     33          6           0       -4.927844    5.728554    0.485502
     34          6           0       -5.087876    4.510398   -0.186414
     35          6           0       -4.054539    3.578682   -0.203173
     36          6           0        8.411352   -1.302574   -0.827488
     37          6           0        9.679318   -0.862862   -1.195295
     38          6           0       10.050707    0.471609   -0.990043
     39          6           0        9.126334    1.354945   -0.417961
     40          6           0        7.855712    0.910583   -0.066941
     41          7           0       -5.982374    6.678814    0.510359
     42          7           0       -7.990248   -4.591794   -1.588122
     43          7           0       11.345330    0.922385   -1.355939
     44          6           0       -8.489875   -5.885840   -1.394437
     45          6           0       -9.821041   -5.942847   -1.880722
     46          6           0      -10.138541   -4.625390   -2.392261
     47          6           0       -8.988717   -3.818906   -2.194462
     48          6           0       -7.279341    6.449830    0.983689
     49          6           0       -8.040473    7.637925    0.836260
     50          6           0       -7.163035    8.627599    0.245996
     51          6           0       -5.903504    8.001515    0.060316
     52          6           0       11.627808    1.982118   -2.226175
     53          6           0       13.034807    2.122482   -2.339492
     54          6           0       13.627600    1.102898   -1.498638
     55          6           0       12.557126    0.382157   -0.909558
     56          6           0      -11.272362   -4.074571   -3.000088
     57          6           0      -11.246430   -2.742871   -3.402979
     58          6           0      -10.094984   -1.960908   -3.210108
     59          6           0       -8.952884   -2.484462   -2.608167
     60          6           0       -7.880888   -6.995332   -0.801636
     61          6           0       -8.620035   -8.173221   -0.717509
     62          6           0       -9.935562   -8.250134   -1.205331
     63          6           0      -10.541359   -7.138690   -1.783403
     64          6           0       -7.335415    9.960662   -0.143783
     65          6           0       -6.264922   10.645412   -0.710893
     66          6           0       -5.026869   10.006939   -0.897157
     67          6           0       -4.828068    8.681220   -0.518394
     68          6           0       -7.827358    5.296888    1.552803
     69          6           0       -9.158497    5.344733    1.960528
     70          6           0       -9.929855    6.510122    1.811973
     71          6           0       -9.375884    7.658568    1.254689
     72          6           0       14.947296    0.752986   -1.191144
     73          6           0       15.182621   -0.296113   -0.307689
     74          6           0       14.110461   -0.992698    0.275461
     75          6           0       12.787560   -0.664954   -0.012993
     76          6           0       10.751686    2.805103   -2.939210
     77          6           0       11.305641    3.785393   -3.759439
     78          6           0       12.697080    3.945000   -3.874918
     79          6           0       13.564836    3.115553   -3.171099
     80          8           0        0.661793   -3.718495    2.946453
     81         15           0        2.010912   -3.564766    2.381047
     82          8           0        3.225255   -3.379376    3.395713
     83          8           0        2.546009   -4.769572    1.453550
     84          6           0        3.122661   -2.502691    4.574131
     85          6           0        4.155914   -2.968900    5.576409
     86          6           0        2.463392   -6.127808    1.981651
     87          6           0        2.865066   -7.079982    0.873575
     88          1           0       -3.020001    1.151716    0.593375
     89          1           0        1.680932    2.648277    0.274249
     90          1           0       -0.150021    4.313502    0.215767
     91          1           0       -3.285957   -0.703087   -0.149775
     92          1           0       -1.817618   -4.727079   -0.220730
     93          1           0        0.397293   -3.927740    0.358727
     94          1           0        4.528046   -3.689777    1.278977
     95          1           0        6.737972   -2.893377    0.674924
     96          1           0        5.084278    0.951940   -0.345601
     97          1           0       -3.421910   -4.889931   -1.750488
     98          1           0       -5.672389   -5.663197   -2.364791
     99          1           0       -7.405067   -2.515559   -0.014419
    100          1           0       -5.156398   -1.733623    0.603013
    101          1           0       -1.758972    5.280203    1.627277
    102          1           0       -3.593196    6.927541    1.674903
    103          1           0       -6.015955    4.307527   -0.710091
    104          1           0       -4.187450    2.653712   -0.755392
    105          1           0        8.137029   -2.333999   -1.025165
    106          1           0       10.380393   -1.547087   -1.660999
    107          1           0        9.415117    2.383641   -0.231210
    108          1           0        7.167030    1.605090    0.403547
    109          1           0      -12.159706   -4.680988   -3.157527
    110          1           0      -12.119424   -2.303893   -3.875804
    111          1           0      -10.090909   -0.926023   -3.539324
    112          1           0       -8.066312   -1.875169   -2.473680
    113          1           0       -6.870795   -6.943744   -0.411264
    114          1           0       -8.167893   -9.048429   -0.260339
    115          1           0      -10.484088   -9.183294   -1.123141
    116          1           0      -11.561752   -7.196017   -2.151395
    117          1           0       -8.294331   10.452521   -0.007399
    118          1           0       -6.386220   11.679640   -1.017782
    119          1           0       -4.205669   10.555684   -1.348863
    120          1           0       -3.871748    8.194770   -0.674327
    121          1           0       -7.237462    4.396307    1.681166
    122          1           0       -9.606132    4.461328    2.406307
    123          1           0      -10.964311    6.513739    2.141214
    124          1           0       -9.970379    8.561465    1.147951
    125          1           0       15.776558    1.296581   -1.634756
    126          1           0       16.201807   -0.576500   -0.060515
    127          1           0       14.314372   -1.802625    0.969680
    128          1           0       11.967390   -1.201924    0.450142
    129          1           0        9.676859    2.684178   -2.864543
    130          1           0       10.644743    4.437084   -4.323306
    131          1           0       13.095810    4.718719   -4.523620
    132          1           0       14.640298    3.234319   -3.267215
    133          1           0        3.291728   -1.481805    4.230029
    134          1           0        2.101521   -2.557126    4.952817
    135          1           0        4.121335   -2.317679    6.455279
    136          1           0        3.958228   -3.994738    5.901016
    137          1           0        5.164600   -2.923844    5.155466
    138          1           0        3.135924   -6.205524    2.842059
    139          1           0        1.438624   -6.306430    2.319803
    140          1           0        3.888298   -6.885620    0.540738
    141          1           0        2.810523   -8.110522    1.237937
    142          1           0        2.196114   -6.981899    0.014267
    143         17           0        0.836445   -0.339029    3.311310
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0185878           0.0073146           0.0057061
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13515.3458700227 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.35D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    0.999985   -0.005188   -0.000425    0.001435 Ang=  -0.62 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.67814444     A.U. after   13 cycles
            NFock= 13  Conv=0.36D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000976018   -0.000718897   -0.000025529
      2        6          -0.000249442    0.000480528   -0.000063268
      3        6           0.000527090    0.000754640    0.000290306
      4        6          -0.000557729   -0.000780313    0.000423805
      5        6          -0.000376422    0.000736218    0.000156439
      6        6           0.000283550   -0.000177688   -0.000099564
      7        6           0.000430478   -0.000605221    0.000298351
      8        6          -0.000453831   -0.000874523   -0.000941729
      9        6          -0.000433058    0.001880418    0.002979451
     10        6           0.001068398   -0.000250605   -0.001921009
     11        6          -0.000061852   -0.000232969   -0.000279532
     12        6           0.000821601    0.000602049    0.000272583
     13        6          -0.000159301   -0.000065708    0.000462039
     14        6           0.000278359    0.000084001    0.000188920
     15        7          -0.001367555    0.001115340    0.000578160
     16        6          -0.000543966   -0.000780345   -0.000223766
     17        6          -0.000739082   -0.000039950   -0.000237895
     18        7           0.000249352   -0.000507984    0.000733365
     19        6           0.001577990    0.000274222    0.000215232
     20        6          -0.000297054   -0.000014811    0.000387035
     21        6          -0.000851814   -0.000332790    0.000046717
     22        6           0.000344993    0.000027680   -0.000231216
     23        6          -0.001101750    0.000520914    0.000015779
     24        6          -0.000736023   -0.000564212   -0.000275173
     25        6           0.000755442    0.000472313   -0.000118513
     26        6          -0.000136148    0.000149991   -0.000459663
     27        6           0.000194135   -0.000182476    0.000119069
     28        6           0.000257193    0.000260826    0.000165290
     29        6          -0.000122328    0.000153827   -0.000158281
     30        6           0.000071094   -0.000292015    0.000424691
     31        6           0.000000515   -0.000040779   -0.000064669
     32        6           0.000161449    0.000210007   -0.000119193
     33        6           0.000232394   -0.000142109   -0.000027858
     34        6          -0.000062745   -0.000242259    0.000150577
     35        6           0.000064406    0.000058031   -0.000015007
     36        6          -0.000044013    0.000088537   -0.000261314
     37        6           0.000102280   -0.000195422    0.000183944
     38        6          -0.000286842   -0.000111964    0.000084113
     39        6          -0.000085495    0.000130789   -0.000187491
     40        6           0.000094102   -0.000010164    0.000307915
     41        7           0.000671810   -0.000326611    0.000028347
     42        7           0.000575154    0.000444528    0.000220405
     43        7          -0.000606613   -0.000473097    0.000133519
     44        6          -0.000067412   -0.001075845   -0.000634762
     45        6           0.000065544    0.000471639    0.000059819
     46        6           0.000441310   -0.000106609    0.000131657
     47        6          -0.001206801    0.000140081    0.000139808
     48        6          -0.001096418   -0.000431502   -0.000370046
     49        6           0.000433344    0.000177159   -0.000066686
     50        6           0.000165484   -0.000456938    0.000062519
     51        6          -0.000388201    0.001148948    0.000381684
     52        6           0.000135564    0.001241161    0.000021640
     53        6          -0.000045283   -0.000420084    0.000205432
     54        6          -0.000465212    0.000040048   -0.000075052
     55        6           0.001169429   -0.000260465   -0.000327747
     56        6          -0.000105653    0.000028025    0.000055059
     57        6           0.000205803    0.000094840   -0.000057435
     58        6          -0.000156756   -0.000109300   -0.000124442
     59        6           0.000198072   -0.000007828   -0.000055693
     60        6           0.000012652    0.000154692    0.000143575
     61        6          -0.000189862   -0.000135568   -0.000012646
     62        6           0.000097594    0.000123975    0.000173517
     63        6           0.000022721   -0.000087264   -0.000072245
     64        6          -0.000009776    0.000102821    0.000053516
     65        6           0.000159426   -0.000129993   -0.000127648
     66        6          -0.000200947    0.000096526   -0.000050318
     67        6           0.000068955   -0.000196328   -0.000102190
     68        6           0.000192605    0.000068287    0.000087125
     69        6          -0.000200821    0.000087958    0.000061046
     70        6           0.000203549   -0.000046012    0.000115069
     71        6          -0.000077561   -0.000050912   -0.000068415
     72        6           0.000091649   -0.000051196   -0.000051166
     73        6          -0.000183407   -0.000037929    0.000146707
     74        6           0.000174619    0.000157282    0.000011307
     75        6          -0.000197867    0.000044349    0.000091176
     76        6          -0.000034127   -0.000220975   -0.000032954
     77        6           0.000182448    0.000108626   -0.000103801
     78        6          -0.000127277   -0.000189960   -0.000066552
     79        6          -0.000008216    0.000109248    0.000030418
     80        8          -0.000168220    0.000141143    0.000063468
     81       15           0.000818675   -0.000679785    0.000390090
     82        8          -0.001000128    0.000524258   -0.000702380
     83        8          -0.000825390   -0.000738886    0.000119966
     84        6          -0.000415218    0.000096377   -0.000114287
     85        6           0.000054372   -0.000340339   -0.000002523
     86        6           0.000085770   -0.000425557   -0.000133371
     87        6          -0.000044697   -0.000027110    0.000020716
     88        1          -0.000050240    0.000272555    0.000023588
     89        1           0.000092545   -0.000154202   -0.000087588
     90        1          -0.000099604    0.000122334    0.000082940
     91        1           0.000089024   -0.000404140   -0.000118507
     92        1          -0.000112625    0.000011402    0.000018635
     93        1          -0.000313404    0.000159201   -0.000382180
     94        1           0.000168525    0.001196740   -0.000531672
     95        1           0.000115161    0.000109255   -0.000100036
     96        1           0.000018329    0.000057873   -0.000058390
     97        1           0.000019748    0.000078408    0.000064011
     98        1          -0.000217978   -0.000125328   -0.000138849
     99        1          -0.000222162   -0.000169426   -0.000029176
    100        1           0.000137780    0.000076680   -0.000054796
    101        1           0.000125534    0.000043781    0.000030089
    102        1          -0.000204218    0.000108208    0.000074962
    103        1          -0.000213353    0.000080704   -0.000063986
    104        1           0.000039539   -0.000122166   -0.000020654
    105        1          -0.000065253   -0.000047054    0.000043133
    106        1           0.000210368    0.000133387   -0.000105909
    107        1           0.000195984    0.000188691   -0.000016626
    108        1          -0.000083867   -0.000072611   -0.000059617
    109        1           0.000029628   -0.000013313   -0.000025310
    110        1          -0.000045992    0.000002791    0.000087299
    111        1           0.000016077    0.000002140    0.000021415
    112        1           0.000191817    0.000008614    0.000113386
    113        1           0.000105623    0.000201335   -0.000002676
    114        1           0.000016831    0.000021590   -0.000010181
    115        1           0.000033521   -0.000011491   -0.000093019
    116        1          -0.000014440    0.000023465    0.000025133
    117        1          -0.000001318   -0.000027664   -0.000022733
    118        1           0.000008812    0.000029095    0.000092336
    119        1           0.000015542   -0.000015056    0.000017926
    120        1           0.000145325   -0.000183907    0.000073377
    121        1           0.000232197    0.000010890   -0.000070537
    122        1           0.000021186    0.000000721   -0.000014650
    123        1          -0.000018510   -0.000022599   -0.000089719
    124        1           0.000021928    0.000020468    0.000031561
    125        1          -0.000022986    0.000021852    0.000019950
    126        1           0.000026701   -0.000048612   -0.000084797
    127        1          -0.000020951   -0.000014756   -0.000013743
    128        1          -0.000224719   -0.000058308   -0.000058749
    129        1          -0.000092953   -0.000175288    0.000132469
    130        1          -0.000014507   -0.000012778    0.000024263
    131        1          -0.000012842    0.000059185    0.000081050
    132        1           0.000011981   -0.000036302   -0.000017174
    133        1           0.000440805    0.000456996    0.000741738
    134        1           0.000124857   -0.000483982    0.000895419
    135        1           0.000033276    0.000023821    0.000049754
    136        1          -0.000047196    0.000045158    0.000012816
    137        1          -0.000115693    0.000054391   -0.000043006
    138        1           0.000001679    0.000072338    0.000031249
    139        1           0.000011807    0.000050760    0.000072861
    140        1           0.000007446   -0.000010252   -0.000019236
    141        1           0.000035579    0.000024283   -0.000017523
    142        1           0.000010778    0.000001080    0.000024318
    143       17           0.001229801   -0.000973958   -0.002902973
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002979451 RMS     0.000418933

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.002516466 RMS     0.000269437
 Search for a local minimum.
 Step number  12 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   11   12
 DE= -1.27D-03 DEPred=-6.40D-04 R= 1.99D+00
 TightC=F SS=  1.41D+00  RLast= 2.84D-01 DXNew= 4.0363D+00 8.5252D-01
 Trust test= 1.99D+00 RLast= 2.84D-01 DXMaxT set to 2.40D+00
 ITU=  1  1  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00417   0.00421   0.00598   0.00946   0.01402
     Eigenvalues ---    0.01598   0.01642   0.02137   0.02510   0.02587
     Eigenvalues ---    0.02605   0.02660   0.02679   0.02694   0.02703
     Eigenvalues ---    0.02708   0.02710   0.02713   0.02717   0.02719
     Eigenvalues ---    0.02726   0.02728   0.02733   0.02735   0.02745
     Eigenvalues ---    0.02746   0.02769   0.02770   0.02774   0.02774
     Eigenvalues ---    0.02774   0.02779   0.02782   0.02785   0.02786
     Eigenvalues ---    0.02789   0.02791   0.02791   0.02791   0.02792
     Eigenvalues ---    0.02792   0.02793   0.02793   0.02796   0.02800
     Eigenvalues ---    0.02801   0.02802   0.02803   0.02804   0.02805
     Eigenvalues ---    0.02806   0.02807   0.02807   0.02808   0.02808
     Eigenvalues ---    0.02810   0.02811   0.02812   0.02817   0.02817
     Eigenvalues ---    0.02817   0.02818   0.02818   0.02819   0.02819
     Eigenvalues ---    0.02825   0.02825   0.02833   0.02838   0.02844
     Eigenvalues ---    0.02845   0.02845   0.02846   0.02847   0.02847
     Eigenvalues ---    0.02849   0.02852   0.02863   0.02867   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02870   0.02872   0.02873
     Eigenvalues ---    0.02875   0.02876   0.02877   0.02878   0.02878
     Eigenvalues ---    0.02879   0.02884   0.02884   0.02884   0.02884
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02886   0.02886
     Eigenvalues ---    0.02887   0.02892   0.02893   0.02893   0.02896
     Eigenvalues ---    0.02897   0.02898   0.02898   0.02898   0.02898
     Eigenvalues ---    0.02902   0.02908   0.02909   0.02933   0.02941
     Eigenvalues ---    0.02942   0.02948   0.03024   0.03024   0.03025
     Eigenvalues ---    0.03041   0.03133   0.03133   0.03134   0.03146
     Eigenvalues ---    0.03149   0.03156   0.03230   0.03563   0.03818
     Eigenvalues ---    0.04263   0.04694   0.05060   0.05378   0.05514
     Eigenvalues ---    0.05571   0.05595   0.05632   0.05732   0.05773
     Eigenvalues ---    0.07308   0.08642   0.09102   0.10505   0.11417
     Eigenvalues ---    0.11501   0.12605   0.13105   0.13660   0.14685
     Eigenvalues ---    0.15704   0.15851   0.15961   0.15973   0.15981
     Eigenvalues ---    0.15984   0.15986   0.15986   0.15991   0.15993
     Eigenvalues ---    0.15995   0.15996   0.15996   0.15997   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16003   0.16009   0.16029   0.16042   0.16083
     Eigenvalues ---    0.16466   0.17646   0.18029   0.18863   0.20750
     Eigenvalues ---    0.20991   0.21989   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22002   0.22002
     Eigenvalues ---    0.22024   0.22387   0.22455   0.22522   0.22600
     Eigenvalues ---    0.22601   0.22602   0.22603   0.22603   0.22647
     Eigenvalues ---    0.22774   0.22965   0.22975   0.23102   0.23469
     Eigenvalues ---    0.23517   0.23667   0.23998   0.24008   0.24055
     Eigenvalues ---    0.24219   0.24489   0.24491   0.24493   0.24536
     Eigenvalues ---    0.24538   0.24563   0.24770   0.24931   0.24982
     Eigenvalues ---    0.24987   0.24988   0.24990   0.24990   0.24991
     Eigenvalues ---    0.24991   0.24997   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.25003
     Eigenvalues ---    0.25037   0.25092   0.25440   0.26121   0.27801
     Eigenvalues ---    0.28284   0.29048   0.29763   0.29788   0.30570
     Eigenvalues ---    0.32015   0.32097   0.32127   0.32141   0.32146
     Eigenvalues ---    0.32150   0.32177   0.32216   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33293   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33457   0.33544   0.33561   0.33565   0.33577
     Eigenvalues ---    0.33584   0.33586   0.33595   0.33631   0.33635
     Eigenvalues ---    0.33638   0.33642   0.33645   0.33663   0.33696
     Eigenvalues ---    0.33719   0.33727   0.33819   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33897   0.33920   0.33941
     Eigenvalues ---    0.33947   0.33954   0.33959   0.34199   0.34459
     Eigenvalues ---    0.34830   0.34925   0.34994   0.38696   0.41615
     Eigenvalues ---    0.42743   0.43408   0.44432   0.44435   0.44441
     Eigenvalues ---    0.44476   0.46131   0.47683   0.48562   0.48969
     Eigenvalues ---    0.48978   0.49261   0.49482   0.49695   0.49790
     Eigenvalues ---    0.49795   0.49837   0.49946   0.49992   0.50104
     Eigenvalues ---    0.50185   0.50334   0.50405   0.50410   0.50563
     Eigenvalues ---    0.50610   0.50613   0.50618   0.51515   0.52076
     Eigenvalues ---    0.52222   0.52547   0.52811   0.53030   0.54041
     Eigenvalues ---    0.54090   0.54113   0.54200   0.54202   0.54206
     Eigenvalues ---    0.54356   0.54544   0.55098   0.55183   0.55315
     Eigenvalues ---    0.55344   0.55360   0.55367   0.55387   0.55412
     Eigenvalues ---    0.55479   0.55506   0.55536   0.55586   0.55692
     Eigenvalues ---    0.55705   0.55709   0.55762   0.55939   0.55946
     Eigenvalues ---    0.55970   0.56147   0.56152   0.56153   0.56249
     Eigenvalues ---    0.56270   0.56308   0.56366   0.56654   0.56662
     Eigenvalues ---    0.56664   0.56670   0.56672   0.56682   0.56824
     Eigenvalues ---    0.56900   0.56914   0.56969   0.57149   0.57174
     Eigenvalues ---    0.57179   0.57190   0.57195   0.57210   0.57618
     Eigenvalues ---    0.61805   0.62000   0.66051   0.66058   0.67648
     Eigenvalues ---    0.67660   0.67663   0.69260   0.70040   0.70092
     Eigenvalues ---    0.73173   0.76779   0.80030
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    12   11   10    9
 RFO step:  Lambda=-1.02674858D-03.
 DidBck=F Rises=F RFO-DIIS coefs:    1.23766    0.46806   -1.29864    0.59292
 Iteration  1 RMS(Cart)=  0.06963513 RMS(Int)=  0.00058286
 Iteration  2 RMS(Cart)=  0.00164292 RMS(Int)=  0.00017772
 Iteration  3 RMS(Cart)=  0.00000100 RMS(Int)=  0.00017772
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64340  -0.00028  -0.00005  -0.00040  -0.00048   2.64292
    R2        2.66260  -0.00021  -0.00086   0.00014  -0.00081   2.66180
    R3        2.79977   0.00069   0.00352   0.00118   0.00470   2.80447
    R4        2.64970   0.00044   0.00056   0.00071   0.00133   2.65103
    R5        2.04775  -0.00011   0.00001  -0.00134  -0.00133   2.04642
    R6        2.66632  -0.00040  -0.00318   0.00154  -0.00151   2.66481
    R7        2.77612   0.00106   0.00205   0.00155   0.00376   2.77988
    R8        2.64748   0.00039   0.00119  -0.00025   0.00097   2.64844
    R9        2.77261  -0.00014  -0.00012   0.00042   0.00021   2.77283
   R10        2.61747  -0.00053  -0.00089  -0.00037  -0.00133   2.61615
   R11        2.04731  -0.00001   0.00072  -0.00082  -0.00010   2.04721
   R12        2.05057   0.00013  -0.00045   0.00042  -0.00002   2.05055
   R13        2.69069  -0.00025   0.00062  -0.00100  -0.00021   2.69048
   R14        2.64502   0.00036   0.00047   0.00085   0.00139   2.64641
   R15        2.75459   0.00067   0.00151   0.00075   0.00216   2.75675
   R16        2.66248  -0.00011  -0.00053  -0.00067  -0.00118   2.66130
   R17        2.77695  -0.00073  -0.00270   0.00089  -0.00201   2.77495
   R18        2.62169  -0.00004   0.00340  -0.00290   0.00022   2.62191
   R19        4.88861  -0.00160  -0.04163  -0.03455  -0.07637   4.81224
   R20        2.46082  -0.00118  -0.00366   0.00154  -0.00214   2.45868
   R21        2.64623  -0.00027  -0.00075  -0.00003  -0.00080   2.64544
   R22        2.04627  -0.00023   0.00099  -0.00174  -0.00076   2.04551
   R23        2.65981  -0.00040  -0.00237   0.00081  -0.00166   2.65815
   R24        2.79586   0.00074  -0.00040   0.00211   0.00171   2.79757
   R25        2.61173  -0.00013   0.00015  -0.00019  -0.00012   2.61162
   R26        2.04934  -0.00003   0.00106  -0.00111  -0.00005   2.04930
   R27        2.04340  -0.00036   0.00080  -0.00114  -0.00034   2.04306
   R28        2.68260   0.00185   0.00335  -0.00238   0.00098   2.68358
   R29        3.38635   0.00130   0.00863  -0.00561   0.00279   3.38914
   R30        5.97409  -0.00088  -0.05662  -0.01926  -0.07576   5.89833
   R31        2.67683   0.00052   0.00221  -0.00109   0.00128   2.67810
   R32        2.65344   0.00135   0.00304  -0.00097   0.00208   2.65552
   R33        2.59522  -0.00116  -0.00264   0.00034  -0.00218   2.59303
   R34        2.65804   0.00016   0.00089   0.00005   0.00097   2.65901
   R35        2.61891  -0.00016  -0.00049  -0.00015  -0.00066   2.61825
   R36        2.04123  -0.00124  -0.00305   0.00107  -0.00198   2.03925
   R37        2.66967  -0.00045  -0.00113   0.00045  -0.00071   2.66896
   R38        2.05031   0.00006   0.00059  -0.00050   0.00009   2.05040
   R39        2.62951  -0.00075  -0.00309   0.00144  -0.00165   2.62786
   R40        2.79975   0.00064   0.00153   0.00098   0.00251   2.80226
   R41        2.04863   0.00007   0.00050  -0.00053  -0.00003   2.04860
   R42        2.65619  -0.00004  -0.00022  -0.00004  -0.00026   2.65593
   R43        2.65605  -0.00003  -0.00074   0.00045  -0.00029   2.65577
   R44        2.65733   0.00009  -0.00089   0.00061  -0.00029   2.65704
   R45        2.65790  -0.00004  -0.00109   0.00022  -0.00087   2.65703
   R46        2.65591   0.00001  -0.00082   0.00045  -0.00037   2.65554
   R47        2.65616   0.00005  -0.00101   0.00049  -0.00052   2.65564
   R48        2.62822  -0.00011  -0.00005  -0.00004  -0.00009   2.62813
   R49        2.05068  -0.00002   0.00120  -0.00124  -0.00004   2.05063
   R50        2.64739  -0.00010  -0.00044   0.00036  -0.00007   2.64732
   R51        2.04961   0.00015   0.00069  -0.00063   0.00005   2.04966
   R52        2.64765  -0.00021  -0.00090   0.00047  -0.00043   2.64722
   R53        2.67861  -0.00029   0.00051  -0.00039   0.00012   2.67873
   R54        2.62808  -0.00005   0.00023  -0.00003   0.00020   2.62828
   R55        2.04956   0.00016   0.00080  -0.00075   0.00006   2.04962
   R56        2.05081  -0.00000   0.00061  -0.00055   0.00006   2.05087
   R57        2.62980  -0.00017  -0.00004  -0.00015  -0.00019   2.62961
   R58        2.05077   0.00013   0.00008  -0.00007   0.00001   2.05078
   R59        2.64621  -0.00010  -0.00096   0.00057  -0.00039   2.64582
   R60        2.04987   0.00016   0.00074  -0.00067   0.00007   2.04994
   R61        2.64628  -0.00008  -0.00146   0.00089  -0.00057   2.64571
   R62        2.68291  -0.00037   0.00069  -0.00061   0.00008   2.68299
   R63        2.62948  -0.00012   0.00024  -0.00027  -0.00003   2.62945
   R64        2.04992   0.00016   0.00081  -0.00077   0.00004   2.04996
   R65        2.05119   0.00012   0.00022  -0.00037  -0.00016   2.05103
   R66        2.62962  -0.00012   0.00002  -0.00013  -0.00012   2.62950
   R67        2.05117   0.00003   0.00061  -0.00068  -0.00006   2.05111
   R68        2.64621  -0.00010  -0.00061   0.00048  -0.00013   2.64608
   R69        2.04976   0.00017   0.00069  -0.00061   0.00007   2.04984
   R70        2.64698  -0.00017  -0.00115   0.00065  -0.00050   2.64648
   R71        2.68123  -0.00035   0.00056  -0.00058  -0.00002   2.68121
   R72        2.62879  -0.00003   0.00027  -0.00008   0.00018   2.62898
   R73        2.04971   0.00017   0.00084  -0.00077   0.00007   2.04978
   R74        2.05101   0.00001   0.00039  -0.00044  -0.00006   2.05095
   R75        2.64467   0.00021   0.00375  -0.00141   0.00233   2.64700
   R76        2.64447   0.00024   0.00395  -0.00150   0.00245   2.64692
   R77        2.64676   0.00029   0.00398  -0.00142   0.00256   2.64932
   R78        2.64693   0.00027   0.00378  -0.00130   0.00247   2.64940
   R79        2.64571   0.00024   0.00380  -0.00133   0.00247   2.64818
   R80        2.64531   0.00025   0.00395  -0.00145   0.00250   2.64781
   R81        2.68030  -0.00030  -0.00192   0.00068  -0.00125   2.67905
   R82        2.64106  -0.00019  -0.00110   0.00058  -0.00052   2.64053
   R83        2.73728  -0.00002  -0.00001  -0.00041  -0.00042   2.73686
   R84        2.64452   0.00004  -0.00079   0.00067  -0.00012   2.64440
   R85        2.68024  -0.00030  -0.00193   0.00070  -0.00124   2.67900
   R86        2.64454   0.00004  -0.00085   0.00072  -0.00013   2.64441
   R87        2.64101  -0.00020  -0.00116   0.00064  -0.00052   2.64048
   R88        2.68090  -0.00030  -0.00193   0.00071  -0.00122   2.67968
   R89        2.64122  -0.00023  -0.00121   0.00062  -0.00060   2.64062
   R90        2.73702   0.00001  -0.00005  -0.00031  -0.00036   2.73666
   R91        2.64483   0.00003  -0.00092   0.00076  -0.00016   2.64467
   R92        2.68107  -0.00032  -0.00193   0.00065  -0.00128   2.67979
   R93        2.64474   0.00004  -0.00083   0.00070  -0.00013   2.64461
   R94        2.64120  -0.00023  -0.00110   0.00049  -0.00061   2.64059
   R95        2.68061  -0.00030  -0.00197   0.00072  -0.00126   2.67935
   R96        2.64110  -0.00022  -0.00120   0.00065  -0.00055   2.64055
   R97        2.73716  -0.00001  -0.00001  -0.00039  -0.00040   2.73677
   R98        2.64473   0.00003  -0.00085   0.00069  -0.00015   2.64458
   R99        2.68075  -0.00030  -0.00192   0.00066  -0.00127   2.67948
   R100       2.64466   0.00004  -0.00082   0.00068  -0.00014   2.64452
   R101       2.64114  -0.00022  -0.00107   0.00050  -0.00058   2.64056
   R102       2.62965   0.00009   0.00029  -0.00014   0.00016   2.62982
   R103       2.05269  -0.00000   0.00017  -0.00015   0.00001   2.05270
   R104       2.65538  -0.00007  -0.00121   0.00044  -0.00076   2.65462
   R105       2.05136   0.00000  -0.00022   0.00018  -0.00004   2.05132
   R106       2.63265   0.00003   0.00103  -0.00050   0.00053   2.63318
   R107       2.05223  -0.00001   0.00023  -0.00023   0.00000   2.05223
   R108       2.04871   0.00015   0.00048  -0.00048   0.00000   2.04871
   R109       2.63265   0.00004   0.00107  -0.00053   0.00054   2.63319
   R110       2.04871   0.00015   0.00040  -0.00037   0.00003   2.04874
   R111       2.65538  -0.00007  -0.00126   0.00049  -0.00077   2.65461
   R112       2.05227  -0.00001   0.00025  -0.00024   0.00001   2.05228
   R113       2.62968   0.00009   0.00025  -0.00010   0.00015   2.62983
   R114       2.05140   0.00000  -0.00021   0.00017  -0.00004   2.05136
   R115       2.05269  -0.00000   0.00017  -0.00016   0.00001   2.05270
   R116       2.62968   0.00010   0.00027  -0.00010   0.00018   2.62985
   R117       2.05281  -0.00001   0.00016  -0.00016   0.00001   2.05282
   R118       2.65580  -0.00007  -0.00125   0.00050  -0.00075   2.65505
   R119       2.05148   0.00000  -0.00023   0.00018  -0.00005   2.05143
   R120       2.63243   0.00003   0.00102  -0.00051   0.00051   2.63294
   R121       2.05236  -0.00001   0.00025  -0.00025  -0.00000   2.05236
   R122       2.04885   0.00016   0.00041  -0.00033   0.00008   2.04892
   R123       2.63240   0.00003   0.00100  -0.00047   0.00053   2.63293
   R124       2.04885   0.00016   0.00062  -0.00055   0.00007   2.04893
   R125       2.65585  -0.00006  -0.00119   0.00044  -0.00075   2.65510
   R126       2.05233  -0.00001   0.00023  -0.00023  -0.00000   2.05233
   R127       2.62963   0.00010   0.00033  -0.00013   0.00021   2.62983
   R128       2.05147  -0.00000  -0.00024   0.00019  -0.00005   2.05143
   R129       2.05280  -0.00001   0.00017  -0.00016   0.00001   2.05281
   R130       2.62970   0.00009   0.00028  -0.00013   0.00016   2.62986
   R131       2.05274  -0.00000   0.00016  -0.00015   0.00001   2.05275
   R132       2.65560  -0.00006  -0.00127   0.00050  -0.00077   2.65483
   R133       2.05142   0.00000  -0.00022   0.00018  -0.00004   2.05138
   R134       2.63255   0.00004   0.00103  -0.00050   0.00053   2.63308
   R135       2.05233  -0.00001   0.00025  -0.00024   0.00000   2.05234
   R136       2.04886   0.00015   0.00041  -0.00038   0.00003   2.04889
   R137       2.63250   0.00004   0.00102  -0.00048   0.00055   2.63304
   R138       2.04881   0.00016   0.00057  -0.00052   0.00005   2.04886
   R139       2.65566  -0.00006  -0.00121   0.00044  -0.00076   2.65490
   R140       2.05227  -0.00001   0.00023  -0.00023   0.00000   2.05227
   R141       2.62960   0.00010   0.00028  -0.00012   0.00016   2.62977
   R142       2.05141   0.00000  -0.00023   0.00019  -0.00004   2.05137
   R143       2.05274  -0.00000   0.00017  -0.00016   0.00001   2.05275
   R144       2.77953   0.00011  -0.00354   0.00338  -0.00016   2.77937
   R145       3.01087  -0.00015  -0.00063  -0.00082  -0.00161   3.00925
   R146       3.04600   0.00016   0.00325  -0.00392  -0.00067   3.04533
   R147       2.78231   0.00043   0.00523  -0.00263   0.00263   2.78494
   R148       2.75830   0.00031   0.00274  -0.00167   0.00107   2.75937
   R149       2.85938  -0.00001   0.00121  -0.00140  -0.00020   2.85918
   R150       2.06075   0.00029  -0.00002   0.00032  -0.00004   2.06072
   R151       2.06066  -0.00009  -0.00079   0.00088  -0.00007   2.06059
   R152       2.06810   0.00005   0.00001   0.00018   0.00019   2.06829
   R153       2.06732  -0.00005  -0.00040   0.00008  -0.00032   2.06701
   R154       2.06722  -0.00007  -0.00021  -0.00009  -0.00030   2.06692
   R155       2.86330   0.00000  -0.00121   0.00077  -0.00045   2.86285
   R156       2.06892   0.00003   0.00003  -0.00003  -0.00000   2.06892
   R157       2.06699  -0.00001   0.00066  -0.00060   0.00006   2.06705
   R158       2.06626   0.00001  -0.00021   0.00010  -0.00011   2.06615
   R159       2.06815  -0.00002  -0.00048   0.00046  -0.00002   2.06813
   R160       2.06623  -0.00003  -0.00027   0.00006  -0.00021   2.06602
   R161       5.40422   0.00005   0.03224   0.01282   0.04502   5.44924
   R162       5.73647  -0.00006   0.03255   0.01505   0.04813   5.78460
    A1        2.06200   0.00029   0.00511  -0.00345   0.00169   2.06370
    A2        2.10989  -0.00003  -0.00411   0.00383  -0.00029   2.10959
    A3        2.11129  -0.00026  -0.00101  -0.00038  -0.00140   2.10990
    A4        2.12953   0.00002  -0.00554   0.00477  -0.00062   2.12891
    A5        2.06761  -0.00027   0.00331  -0.00388  -0.00069   2.06692
    A6        2.08506   0.00025   0.00298  -0.00128   0.00158   2.08664
    A7        2.07005  -0.00042   0.00188  -0.00315  -0.00134   2.06871
    A8        2.13968   0.00062  -0.00255   0.00426   0.00118   2.14085
    A9        2.07165  -0.00020   0.00024  -0.00103  -0.00008   2.07158
   A10        2.08949   0.00028   0.00274  -0.00069   0.00204   2.09153
   A11        2.10014   0.00035  -0.00263   0.00263   0.00046   2.10061
   A12        2.09311  -0.00063  -0.00028  -0.00189  -0.00259   2.09052
   A13        2.10574   0.00000  -0.00263   0.00172  -0.00079   2.10496
   A14        2.06830  -0.00018  -0.00514   0.00233  -0.00287   2.06543
   A15        2.10892   0.00018   0.00776  -0.00406   0.00364   2.11256
   A16        2.10778  -0.00017  -0.00117   0.00060  -0.00060   2.10718
   A17        2.08900  -0.00001  -0.00490   0.00343  -0.00148   2.08752
   A18        2.08639   0.00018   0.00616  -0.00404   0.00210   2.08848
   A19        2.09915  -0.00024   0.00241  -0.00325  -0.00027   2.09888
   A20        2.11006   0.00061  -0.00371   0.00648   0.00219   2.11225
   A21        2.06966  -0.00036   0.00197  -0.00378  -0.00181   2.06785
   A22        2.08410  -0.00007  -0.00767   0.00442  -0.00287   2.08123
   A23        2.06530   0.00019  -0.00017   0.00192   0.00197   2.06727
   A24        2.12666  -0.00011   0.00730  -0.00583   0.00105   2.12771
   A25        2.03136   0.00008   0.00370  -0.00422   0.00018   2.03154
   A26        2.12282  -0.00020  -0.00309  -0.00123  -0.00367   2.11914
   A27        1.80759  -0.00003   0.00167   0.00162   0.00337   1.81096
   A28        2.05491   0.00004   0.00018  -0.00023   0.00088   2.05579
   A29        1.48658  -0.00005   0.00250   0.00568   0.00742   1.49399
   A30        2.05811  -0.00012  -0.00070  -0.00157  -0.00184   2.05626
   A31        2.07397  -0.00025   0.00011   0.00164   0.00141   2.07538
   A32        2.15109   0.00036   0.00090  -0.00004   0.00024   2.15133
   A33        2.14316   0.00010  -0.00540   0.00378  -0.00132   2.14184
   A34        2.07179   0.00032   0.00169   0.00204   0.00361   2.07541
   A35        2.06575  -0.00042   0.00405  -0.00600  -0.00207   2.06368
   A36        2.05315   0.00012   0.00436  -0.00217   0.00229   2.05544
   A37        2.11107  -0.00024  -0.00094  -0.00064  -0.00163   2.10944
   A38        2.11827   0.00012  -0.00349   0.00286  -0.00068   2.11759
   A39        2.10711  -0.00010  -0.00071  -0.00028  -0.00093   2.10618
   A40        2.09751  -0.00006  -0.00694   0.00402  -0.00295   2.09456
   A41        2.07839   0.00015   0.00768  -0.00374   0.00391   2.08230
   A42        2.12304   0.00004  -0.00164   0.00041  -0.00106   2.12198
   A43        2.09250   0.00009  -0.00371   0.00281  -0.00102   2.09148
   A44        2.06699  -0.00013   0.00491  -0.00295   0.00183   2.06882
   A45        2.07443  -0.00015  -0.00038   0.00100   0.00020   2.07463
   A46        2.08101  -0.00097  -0.00158  -0.00118  -0.00305   2.07796
   A47        2.06304   0.00108   0.00888  -0.00325   0.00586   2.06890
   A48        1.95271   0.00003  -0.00222   0.00223  -0.00028   1.95244
   A49        1.52178  -0.00040   0.00952  -0.00227   0.00717   1.52895
   A50        2.07001  -0.00097  -0.00381   0.00173  -0.00202   2.06799
   A51        2.14392   0.00252   0.00707  -0.00182   0.00520   2.14912
   A52        2.06765  -0.00154  -0.00313   0.00010  -0.00300   2.06465
   A53        2.13763   0.00040   0.00214  -0.00121   0.00107   2.13870
   A54        2.09244   0.00074   0.00326  -0.00157   0.00167   2.09410
   A55        2.05308  -0.00113  -0.00530   0.00276  -0.00270   2.05037
   A56        2.07219   0.00033   0.00076  -0.00029   0.00053   2.07272
   A57        2.10092   0.00054  -0.00082   0.00186   0.00108   2.10200
   A58        2.10281   0.00014   0.00096  -0.00079   0.00017   2.10298
   A59        2.07943  -0.00067  -0.00027  -0.00105  -0.00131   2.07812
   A60        2.13252   0.00025   0.00135  -0.00086   0.00051   2.13303
   A61        2.06360   0.00005   0.00486  -0.00286   0.00203   2.06562
   A62        2.08689  -0.00029  -0.00615   0.00368  -0.00244   2.08444
   A63        2.04483  -0.00013   0.00190  -0.00177   0.00014   2.04497
   A64        2.11738   0.00003  -0.00230   0.00184  -0.00046   2.11691
   A65        2.12096   0.00010   0.00039  -0.00006   0.00032   2.12129
   A66        2.12778   0.00015  -0.00282   0.00233  -0.00043   2.12735
   A67        2.03160  -0.00004   0.00332  -0.00282   0.00047   2.03207
   A68        2.12345  -0.00011  -0.00040   0.00049   0.00005   2.12350
   A69        2.11242  -0.00028  -0.00042  -0.00058  -0.00100   2.11142
   A70        2.11665  -0.00008  -0.00359   0.00310  -0.00048   2.11617
   A71        2.05411   0.00036   0.00400  -0.00252   0.00149   2.05560
   A72        2.11808   0.00013  -0.00368   0.00329  -0.00038   2.11770
   A73        2.11338  -0.00036  -0.00249  -0.00019  -0.00267   2.11071
   A74        2.05171   0.00023   0.00617  -0.00310   0.00306   2.05477
   A75        2.11636  -0.00010  -0.00221   0.00181  -0.00040   2.11596
   A76        2.11322  -0.00014  -0.00274   0.00083  -0.00191   2.11130
   A77        2.05361   0.00024   0.00496  -0.00264   0.00232   2.05592
   A78        2.11897  -0.00014  -0.00254   0.00110  -0.00142   2.11755
   A79        2.09063  -0.00003  -0.00560   0.00275  -0.00282   2.08780
   A80        2.07257   0.00017   0.00814  -0.00380   0.00437   2.07694
   A81        2.09975  -0.00022  -0.00454   0.00266  -0.00189   2.09786
   A82        2.09709   0.00035   0.00642  -0.00259   0.00383   2.10091
   A83        2.08615  -0.00013  -0.00195  -0.00001  -0.00197   2.08419
   A84        2.07720   0.00047   0.00798  -0.00454   0.00344   2.08064
   A85        2.10264  -0.00022  -0.00398   0.00218  -0.00181   2.10083
   A86        2.10334  -0.00025  -0.00400   0.00237  -0.00163   2.10171
   A87        2.09957  -0.00024  -0.00449   0.00255  -0.00194   2.09763
   A88        2.08635  -0.00011  -0.00197   0.00020  -0.00177   2.08458
   A89        2.09700   0.00035   0.00640  -0.00269   0.00371   2.10071
   A90        2.11903  -0.00009  -0.00257   0.00128  -0.00129   2.11774
   A91        2.08823  -0.00011  -0.00453   0.00161  -0.00292   2.08531
   A92        2.07466   0.00020   0.00742  -0.00294   0.00450   2.07916
   A93        2.11740  -0.00016  -0.00151   0.00102  -0.00050   2.11690
   A94        2.08592   0.00004  -0.00297   0.00226  -0.00073   2.08518
   A95        2.07896   0.00011   0.00486  -0.00347   0.00138   2.08034
   A96        2.09892  -0.00023  -0.00433   0.00266  -0.00166   2.09726
   A97        2.09839   0.00030   0.00620  -0.00301   0.00318   2.10158
   A98        2.08568  -0.00006  -0.00192   0.00039  -0.00154   2.08414
   A99        2.07933   0.00045   0.00758  -0.00478   0.00281   2.08214
   A100       2.10280  -0.00028  -0.00371   0.00215  -0.00156   2.10124
   A101       2.10105  -0.00017  -0.00387   0.00263  -0.00125   2.09981
   A102       2.09831  -0.00023  -0.00456   0.00286  -0.00169   2.09662
   A103       2.08529  -0.00006  -0.00172   0.00031  -0.00141   2.08388
   A104       2.09939   0.00029   0.00625  -0.00315   0.00310   2.10248
   A105       2.11818  -0.00019  -0.00118   0.00070  -0.00049   2.11769
   A106       2.08605   0.00006  -0.00339   0.00300  -0.00043   2.08562
   A107       2.07807   0.00013   0.00508  -0.00391   0.00114   2.07921
   A108       2.11813  -0.00012  -0.00203   0.00100  -0.00103   2.11710
   A109       2.08992  -0.00002  -0.00356   0.00200  -0.00156   2.08837
   A110       2.07421   0.00014   0.00577  -0.00305   0.00272   2.07693
   A111       2.09909  -0.00021  -0.00422   0.00254  -0.00169   2.09740
   A112       2.09798   0.00032   0.00609  -0.00262   0.00347   2.10144
   A113       2.08593  -0.00011  -0.00193   0.00013  -0.00181   2.08413
   A114       2.07809   0.00045   0.00750  -0.00441   0.00310   2.08119
   A115       2.10246  -0.00026  -0.00375   0.00200  -0.00175   2.10071
   A116       2.10263  -0.00020  -0.00375   0.00241  -0.00135   2.10129
   A117       2.09947  -0.00024  -0.00454   0.00266  -0.00188   2.09759
   A118       2.08600  -0.00009  -0.00164   0.00009  -0.00155   2.08444
   A119       2.09750   0.00034   0.00612  -0.00269   0.00342   2.10093
   A120       2.11788  -0.00012  -0.00166   0.00081  -0.00085   2.11704
   A121       2.08777  -0.00005  -0.00375   0.00176  -0.00199   2.08579
   A122       2.07665   0.00017   0.00566  -0.00264   0.00302   2.07967
   A123       2.19538   0.00001   0.00043   0.00013   0.00057   2.19595
   A124       2.19586  -0.00002   0.00037   0.00001   0.00040   2.19626
   A125       1.89194   0.00002  -0.00080  -0.00014  -0.00098   1.89096
   A126       2.19577   0.00002   0.00053  -0.00007   0.00048   2.19626
   A127       2.19575   0.00001   0.00043   0.00022   0.00067   2.19642
   A128       1.89166  -0.00003  -0.00097  -0.00016  -0.00116   1.89050
   A129       2.19552   0.00001   0.00035   0.00029   0.00066   2.19618
   A130       2.19572   0.00001   0.00050  -0.00010   0.00042   2.19614
   A131       1.89195  -0.00002  -0.00085  -0.00019  -0.00108   1.89087
   A132       1.90130  -0.00011  -0.00072   0.00058  -0.00011   1.90118
   A133       2.26098  -0.00029  -0.00362   0.00178  -0.00177   2.25921
   A134       2.12055   0.00039   0.00404  -0.00235   0.00174   2.12228
   A135       1.86527   0.00012   0.00118  -0.00048   0.00069   1.86596
   A136       2.08701  -0.00022  -0.00230   0.00132  -0.00099   2.08602
   A137       2.33084   0.00010   0.00116  -0.00085   0.00032   2.33116
   A138       1.86526   0.00012   0.00113  -0.00047   0.00065   1.86591
   A139       2.33086   0.00010   0.00122  -0.00090   0.00034   2.33120
   A140       2.08701  -0.00022  -0.00231   0.00135  -0.00097   2.08603
   A141       1.90129  -0.00010  -0.00063   0.00053  -0.00007   1.90122
   A142       2.26105  -0.00029  -0.00377   0.00193  -0.00176   2.25929
   A143       2.12051   0.00039   0.00408  -0.00244   0.00168   2.12219
   A144       1.90184  -0.00012  -0.00078   0.00058  -0.00017   1.90167
   A145       2.26017  -0.00031  -0.00370   0.00177  -0.00186   2.25831
   A146       2.12091   0.00043   0.00418  -0.00233   0.00190   2.12281
   A147       1.86458   0.00011   0.00122  -0.00054   0.00066   1.86524
   A148       2.08656  -0.00024  -0.00235   0.00126  -0.00110   2.08546
   A149       2.33201   0.00013   0.00116  -0.00073   0.00045   2.33246
   A150       1.86463   0.00011   0.00119  -0.00049   0.00068   1.86531
   A151       2.33192   0.00014   0.00117  -0.00074   0.00045   2.33237
   A152       2.08659  -0.00024  -0.00233   0.00122  -0.00112   2.08547
   A153       1.90179  -0.00012  -0.00082   0.00060  -0.00019   1.90160
   A154       2.26035  -0.00032  -0.00354   0.00157  -0.00191   2.25844
   A155       2.12079   0.00044   0.00407  -0.00215   0.00197   2.12275
   A156       1.90147  -0.00010  -0.00074   0.00057  -0.00014   1.90133
   A157       2.26056  -0.00032  -0.00379   0.00191  -0.00180   2.25875
   A158       2.12088   0.00041   0.00421  -0.00246   0.00180   2.12268
   A159       1.86493   0.00011   0.00120  -0.00051   0.00068   1.86561
   A160       2.08670  -0.00022  -0.00236   0.00137  -0.00100   2.08571
   A161       2.33150   0.00011   0.00119  -0.00088   0.00033   2.33183
   A162       1.86489   0.00011   0.00118  -0.00049   0.00068   1.86557
   A163       2.33156   0.00012   0.00118  -0.00084   0.00035   2.33191
   A164       2.08668  -0.00022  -0.00233   0.00132  -0.00102   2.08567
   A165       1.90154  -0.00010  -0.00079   0.00062  -0.00014   1.90140
   A166       2.26064  -0.00031  -0.00353   0.00165  -0.00182   2.25883
   A167       2.12071   0.00041   0.00403  -0.00226   0.00182   2.12253
   A168       2.07982  -0.00002   0.00035  -0.00033   0.00002   2.07984
   A169       2.10026  -0.00001  -0.00223   0.00176  -0.00047   2.09979
   A170       2.10310   0.00003   0.00187  -0.00144   0.00044   2.10354
   A171       2.10376   0.00008   0.00037  -0.00000   0.00038   2.10414
   A172       2.09222  -0.00005   0.00054  -0.00065  -0.00011   2.09211
   A173       2.08719  -0.00003  -0.00091   0.00065  -0.00026   2.08692
   A174       2.11993  -0.00008   0.00036  -0.00052  -0.00016   2.11977
   A175       2.08491   0.00006   0.00111  -0.00065   0.00045   2.08537
   A176       2.07834   0.00002  -0.00146   0.00117  -0.00029   2.07805
   A177       2.05524  -0.00015  -0.00298   0.00196  -0.00103   2.05421
   A178       2.11867  -0.00010  -0.00172   0.00054  -0.00118   2.11749
   A179       2.10924   0.00025   0.00469  -0.00248   0.00221   2.11145
   A180       2.05514  -0.00016  -0.00301   0.00193  -0.00109   2.05405
   A181       2.11875  -0.00009  -0.00167   0.00050  -0.00118   2.11757
   A182       2.10926   0.00025   0.00467  -0.00241   0.00226   2.11152
   A183       2.12003  -0.00008   0.00043  -0.00057  -0.00013   2.11989
   A184       2.07819   0.00001  -0.00151   0.00118  -0.00033   2.07786
   A185       2.08496   0.00006   0.00109  -0.00062   0.00047   2.08543
   A186       2.10373   0.00008   0.00032   0.00005   0.00038   2.10411
   A187       2.08728  -0.00003  -0.00088   0.00063  -0.00026   2.08703
   A188       2.09215  -0.00005   0.00055  -0.00067  -0.00012   2.09203
   A189       2.07982  -0.00003   0.00038  -0.00037   0.00001   2.07983
   A190       2.10025  -0.00001  -0.00224   0.00175  -0.00049   2.09977
   A191       2.10311   0.00003   0.00186  -0.00139   0.00047   2.10358
   A192       2.07996  -0.00003   0.00039  -0.00040  -0.00001   2.07995
   A193       2.10022  -0.00000  -0.00231   0.00184  -0.00048   2.09975
   A194       2.10299   0.00003   0.00191  -0.00143   0.00048   2.10348
   A195       2.10382   0.00009   0.00034   0.00011   0.00046   2.10428
   A196       2.09213  -0.00005   0.00054  -0.00069  -0.00015   2.09198
   A197       2.08722  -0.00004  -0.00088   0.00058  -0.00030   2.08692
   A198       2.12003  -0.00009   0.00041  -0.00057  -0.00016   2.11988
   A199       2.08481   0.00007   0.00108  -0.00061   0.00047   2.08528
   A200       2.07833   0.00002  -0.00148   0.00117  -0.00031   2.07803
   A201       2.05510  -0.00017  -0.00299   0.00181  -0.00120   2.05390
   A202       2.11770  -0.00010  -0.00176   0.00053  -0.00122   2.11648
   A203       2.11037   0.00027   0.00475  -0.00233   0.00242   2.11279
   A204       2.05503  -0.00017  -0.00305   0.00191  -0.00115   2.05387
   A205       2.11773  -0.00010  -0.00172   0.00054  -0.00118   2.11655
   A206       2.11040   0.00027   0.00476  -0.00243   0.00233   2.11272
   A207       2.12001  -0.00008   0.00038  -0.00055  -0.00017   2.11984
   A208       2.07838   0.00002  -0.00146   0.00120  -0.00027   2.07811
   A209       2.08479   0.00006   0.00109  -0.00065   0.00044   2.08523
   A210       2.10388   0.00009   0.00037   0.00006   0.00044   2.10432
   A211       2.08713  -0.00004  -0.00092   0.00062  -0.00031   2.08683
   A212       2.09215  -0.00006   0.00055  -0.00067  -0.00013   2.09202
   A213       2.07991  -0.00003   0.00034  -0.00033   0.00000   2.07991
   A214       2.10025  -0.00000  -0.00222   0.00177  -0.00045   2.09980
   A215       2.10302   0.00003   0.00188  -0.00144   0.00044   2.10346
   A216       2.07996  -0.00003   0.00041  -0.00042  -0.00001   2.07995
   A217       2.10021  -0.00000  -0.00225   0.00180  -0.00045   2.09977
   A218       2.10300   0.00003   0.00184  -0.00138   0.00046   2.10346
   A219       2.10380   0.00009   0.00032   0.00008   0.00041   2.10421
   A220       2.09213  -0.00005   0.00055  -0.00069  -0.00014   2.09199
   A221       2.08723  -0.00003  -0.00087   0.00062  -0.00026   2.08697
   A222       2.11995  -0.00008   0.00040  -0.00053  -0.00013   2.11982
   A223       2.08480   0.00006   0.00110  -0.00062   0.00048   2.08528
   A224       2.07842   0.00001  -0.00149   0.00115  -0.00034   2.07808
   A225       2.05517  -0.00017  -0.00296   0.00183  -0.00114   2.05403
   A226       2.11806  -0.00010  -0.00171   0.00052  -0.00119   2.11687
   A227       2.10993   0.00027   0.00466  -0.00234   0.00232   2.11225
   A228       2.05498  -0.00017  -0.00309   0.00196  -0.00114   2.05384
   A229       2.11841  -0.00010  -0.00160   0.00051  -0.00109   2.11732
   A230       2.10978   0.00026   0.00468  -0.00245   0.00223   2.11200
   A231       2.12003  -0.00008   0.00040  -0.00052  -0.00012   2.11991
   A232       2.07828   0.00001  -0.00159   0.00123  -0.00036   2.07793
   A233       2.08487   0.00006   0.00120  -0.00072   0.00048   2.08535
   A234       2.10387   0.00009   0.00039   0.00000   0.00040   2.10427
   A235       2.08717  -0.00003  -0.00092   0.00064  -0.00028   2.08689
   A236       2.09213  -0.00005   0.00053  -0.00064  -0.00012   2.09201
   A237       2.07982  -0.00003   0.00032  -0.00033  -0.00001   2.07981
   A238       2.10031  -0.00000  -0.00228   0.00178  -0.00049   2.09982
   A239       2.10305   0.00004   0.00195  -0.00145   0.00050   2.10355
   A240       2.02087  -0.00025   0.00405  -0.00292   0.00103   2.02190
   A241       1.82483  -0.00018  -0.00316   0.00061  -0.00123   1.82360
   A242       1.70502   0.00093  -0.00401   0.00351  -0.00106   1.70396
   A243       2.05605   0.00001  -0.00561   0.00353  -0.00253   2.05352
   A244       2.03484  -0.00071  -0.00057  -0.00013  -0.00046   2.03438
   A245       1.77256   0.00042   0.00979  -0.00476   0.00479   1.77736
   A246       2.12455   0.00055   0.00538   0.00058   0.00706   2.13161
   A247       2.05845   0.00020   0.00765  -0.00479   0.00286   2.06131
   A248       1.87456   0.00033  -0.00025  -0.00183  -0.00290   1.87167
   A249       1.86928  -0.00002  -0.00037   0.00096   0.00168   1.87096
   A250       1.88965  -0.00031  -0.00089   0.00113   0.00023   1.88988
   A251       1.97315  -0.00017   0.00002   0.00061   0.00044   1.97359
   A252       1.97583  -0.00031   0.00071  -0.00143  -0.00021   1.97562
   A253       1.87706   0.00046   0.00061   0.00073   0.00085   1.87791
   A254       1.90395   0.00008  -0.00172   0.00129  -0.00043   1.90353
   A255       1.94128   0.00000   0.00029  -0.00011   0.00018   1.94147
   A256       1.94129  -0.00016  -0.00030  -0.00076  -0.00107   1.94022
   A257       1.89019  -0.00002   0.00070  -0.00041   0.00030   1.89049
   A258       1.88983   0.00001  -0.00008  -0.00004  -0.00012   1.88971
   A259       1.89592   0.00009   0.00112   0.00004   0.00116   1.89708
   A260       1.88091   0.00007  -0.00158   0.00127  -0.00031   1.88060
   A261       1.89191  -0.00010  -0.00133   0.00063  -0.00070   1.89121
   A262       1.89319  -0.00003  -0.00062   0.00019  -0.00044   1.89275
   A263       1.94687   0.00004   0.00292  -0.00182   0.00110   1.94797
   A264       1.95178   0.00004   0.00287  -0.00150   0.00138   1.95315
   A265       1.89754  -0.00003  -0.00245   0.00133  -0.00111   1.89643
   A266       1.93798   0.00002  -0.00105   0.00052  -0.00053   1.93745
   A267       1.91246   0.00003  -0.00208   0.00219   0.00011   1.91257
   A268       1.93497  -0.00002   0.00029  -0.00040  -0.00012   1.93485
   A269       1.89164  -0.00003   0.00113  -0.00098   0.00015   1.89178
   A270       1.89374  -0.00001   0.00058  -0.00048   0.00010   1.89384
   A271       1.89191  -0.00000   0.00124  -0.00092   0.00032   1.89223
   A272       1.92022  -0.00054  -0.00315  -0.00284  -0.00588   1.91434
   A273       1.73756  -0.00031  -0.00275  -0.00380  -0.00677   1.73079
   A274       1.59778   0.00044   0.01403   0.00568   0.02013   1.61791
   A275       1.72003   0.00049   0.00719   0.00407   0.01224   1.73227
   A276       1.16121   0.00038   0.00689   0.00558   0.01264   1.17385
   A277       1.30991   0.00054   0.00373   0.00290   0.00773   1.31764
   A278       0.60324   0.00014  -0.00368  -0.00125  -0.00504   0.59820
    D1        0.00902   0.00002   0.00099   0.00050   0.00147   0.01048
    D2        3.10264  -0.00001   0.01779  -0.00902   0.00872   3.11136
    D3       -3.13212   0.00005   0.00106   0.00096   0.00200  -3.13013
    D4       -0.03850   0.00001   0.01786  -0.00855   0.00925  -0.02926
    D5       -0.03157   0.00002   0.00392   0.00007   0.00396  -0.02762
    D6        3.10418   0.00004   0.01142  -0.00285   0.00850   3.11268
    D7        3.10957  -0.00000   0.00385  -0.00040   0.00343   3.11300
    D8       -0.03786   0.00001   0.01136  -0.00332   0.00797  -0.02989
    D9        2.50002  -0.00011  -0.00364   0.00409   0.00045   2.50048
   D10       -0.64234  -0.00010  -0.00321   0.00354   0.00032  -0.64202
   D11       -0.64110  -0.00008  -0.00358   0.00457   0.00100  -0.64011
   D12        2.49972  -0.00008  -0.00316   0.00402   0.00086   2.50058
   D13        0.03867  -0.00006  -0.00904   0.00160  -0.00740   0.03127
   D14       -3.03748  -0.00000  -0.00361   0.00035  -0.00320  -3.04068
   D15       -3.05449  -0.00001  -0.02588   0.01127  -0.01467  -3.06916
   D16        0.15255   0.00005  -0.02045   0.01003  -0.01047   0.14208
   D17       -0.06441   0.00005   0.01215  -0.00425   0.00793  -0.05648
   D18        3.04519  -0.00002   0.00776  -0.00272   0.00507   3.05026
   D19        3.01433   0.00002   0.00676  -0.00285   0.00395   3.01828
   D20       -0.15926  -0.00005   0.00237  -0.00132   0.00109  -0.15816
   D21       -2.96888  -0.00008  -0.00458  -0.00430  -0.00881  -2.97769
   D22        0.27376  -0.00007  -0.01225   0.00244  -0.00988   0.26388
   D23        0.23821  -0.00001   0.00085  -0.00546  -0.00456   0.23365
   D24       -2.80233   0.00000  -0.00682   0.00127  -0.00563  -2.80796
   D25        0.04330   0.00001  -0.00785   0.00506  -0.00272   0.04059
   D26       -3.12049   0.00001  -0.00812   0.00461  -0.00347  -3.12396
   D27       -3.06642   0.00006  -0.00339   0.00345   0.00006  -3.06636
   D28        0.05297   0.00006  -0.00366   0.00300  -0.00069   0.05228
   D29       -0.21401  -0.00020  -0.00430   0.00046  -0.00391  -0.21792
   D30        2.93342   0.00018   0.01689  -0.00493   0.01183   2.94526
   D31        2.89551  -0.00026  -0.00869   0.00201  -0.00668   2.88884
   D32       -0.24024   0.00013   0.01250  -0.00338   0.00907  -0.23117
   D33        0.00558  -0.00003  -0.00050  -0.00283  -0.00331   0.00227
   D34       -3.13018  -0.00005  -0.00782   0.00007  -0.00784  -3.13802
   D35       -3.11329  -0.00003  -0.00005  -0.00245  -0.00245  -3.11573
   D36        0.03414  -0.00005  -0.00738   0.00045  -0.00698   0.02716
   D37        0.06663   0.00016  -0.00189   0.01262   0.01053   0.07717
   D38       -2.94940   0.00006   0.00086   0.00856   0.00914  -2.94026
   D39        3.10949   0.00020   0.00516   0.00662   0.01180   3.12129
   D40        0.09345   0.00010   0.00791   0.00256   0.01042   0.10387
   D41        3.01681  -0.00011   0.00328  -0.00954  -0.00611   3.01070
   D42       -0.04785  -0.00000  -0.00312  -0.00653  -0.00958  -0.05743
   D43       -0.02540  -0.00010  -0.00430  -0.00294  -0.00725  -0.03265
   D44       -3.09006   0.00000  -0.01069   0.00008  -0.01072  -3.10078
   D45       -0.43489  -0.00044  -0.00079  -0.01265  -0.01364  -0.44852
   D46        3.12010  -0.00026  -0.00953   0.00252  -0.00703   3.11307
   D47        1.15905  -0.00050   0.00357  -0.00640  -0.00340   1.15565
   D48        2.57658  -0.00032  -0.00422  -0.00783  -0.01215   2.56443
   D49       -0.15162  -0.00014  -0.01296   0.00733  -0.00554  -0.15716
   D50       -2.11267  -0.00037   0.00014  -0.00158  -0.00191  -2.11458
   D51       -0.08919  -0.00004  -0.00579  -0.00099  -0.00669  -0.09587
   D52        3.01293  -0.00018  -0.02053   0.00687  -0.01362   2.99931
   D53       -3.10200  -0.00015  -0.00195  -0.00595  -0.00782  -3.10982
   D54        0.00011  -0.00028  -0.01668   0.00192  -0.01475  -0.01464
   D55        0.50701   0.00044   0.00509   0.00496   0.01040   0.51742
   D56       -2.64070   0.00004  -0.01712   0.01061  -0.00607  -2.64678
   D57       -3.03137   0.00021   0.01310  -0.00979   0.00293  -3.02843
   D58        0.10410  -0.00020  -0.00911  -0.00414  -0.01354   0.09056
   D59       -1.28654   0.00050   0.00277   0.00048   0.00300  -1.28354
   D60        1.84893   0.00010  -0.01943   0.00613  -0.01348   1.83545
   D61        2.60751  -0.00007   0.00707  -0.00545   0.00199   2.60950
   D62       -0.91926   0.00005   0.02734  -0.01595   0.01194  -0.90732
   D63       -0.11538   0.00011  -0.00212   0.01081   0.00886  -0.10652
   D64        2.64104   0.00023   0.01815   0.00031   0.01881   2.65985
   D65        2.40287  -0.00046  -0.02219   0.00577  -0.01615   2.38671
   D66        1.80939  -0.00062  -0.01952   0.00646  -0.01349   1.79591
   D67       -1.85563  -0.00038  -0.01803   0.00276  -0.01416  -1.86979
   D68       -2.44911  -0.00054  -0.01536   0.00345  -0.01149  -2.46060
   D69        3.11355  -0.00019  -0.00769   0.00130  -0.00617   3.10738
   D70       -0.02187   0.00022   0.01468  -0.00439   0.01049  -0.01138
   D71       -0.04964   0.00002  -0.00158   0.00160  -0.00002  -0.04967
   D72        3.13142   0.00003   0.00071   0.00006   0.00074   3.13216
   D73        3.01527  -0.00005   0.00476  -0.00107   0.00366   3.01893
   D74       -0.08686  -0.00005   0.00705  -0.00261   0.00442  -0.08243
   D75        0.05584   0.00006   0.00398   0.00021   0.00415   0.05998
   D76       -3.10646   0.00002   0.00607   0.00040   0.00644  -3.10002
   D77       -3.12539   0.00005   0.00173   0.00167   0.00336  -3.12204
   D78       -0.00451   0.00001   0.00382   0.00186   0.00565   0.00115
   D79        2.58279  -0.00069  -0.03734  -0.00034  -0.03767   2.54512
   D80       -0.56288  -0.00066  -0.03725   0.00075  -0.03650  -0.59938
   D81       -0.51785  -0.00068  -0.03513  -0.00181  -0.03694  -0.55479
   D82        2.61966  -0.00066  -0.03504  -0.00073  -0.03578   2.58388
   D83        0.01349  -0.00006  -0.00013  -0.00066  -0.00076   0.01273
   D84       -3.08918   0.00007   0.01463  -0.00854   0.00615  -3.08303
   D85       -3.10762  -0.00002  -0.00198  -0.00094  -0.00296  -3.11058
   D86        0.07289   0.00011   0.01277  -0.00882   0.00395   0.07684
   D87        0.05472  -0.00001   0.00678  -0.00929  -0.00250   0.05223
   D88       -3.02500  -0.00007   0.00367  -0.00959  -0.00592  -3.03092
   D89       -2.70567   0.00032  -0.01075   0.00065  -0.01043  -2.71610
   D90        0.49779   0.00026  -0.01386   0.00035  -0.01385   0.48394
   D91       -0.97877   0.00037   0.00368  -0.00241   0.00119  -0.97758
   D92        2.22469   0.00031   0.00056  -0.00270  -0.00224   2.22246
   D93        0.10097  -0.00013  -0.02078   0.00925  -0.01146   0.08951
   D94       -2.19151   0.00021  -0.01362   0.00620  -0.00776  -2.19926
   D95        2.27441  -0.00048  -0.02207   0.01003  -0.01223   2.26218
   D96        2.85989  -0.00027  -0.00291  -0.00024  -0.00278   2.85711
   D97        0.56742   0.00006   0.00425  -0.00330   0.00092   0.56834
   D98       -1.24985  -0.00063  -0.00420   0.00054  -0.00355  -1.25341
   D99        0.88073  -0.00027  -0.00685  -0.00094  -0.00764   0.87310
   D100      -1.41174   0.00007   0.00031  -0.00400  -0.00393  -1.41568
   D101       3.05417  -0.00062  -0.00815  -0.00016  -0.00841   3.04576
   D102      -1.00361  -0.00067  -0.01685   0.00213  -0.01437  -1.01799
   D103      -1.62461  -0.00068  -0.01148   0.00376  -0.00787  -1.63248
   D104       1.07951   0.00034  -0.00350  -0.00203  -0.00490   1.07461
   D105       0.45851   0.00033   0.00187  -0.00040   0.00160   0.46012
   D106       0.02970   0.00000  -0.00146   0.00081  -0.00076   0.02894
   D107      -3.10204  -0.00017  -0.00952   0.00379  -0.00573  -3.10776
   D108       3.11216   0.00021   0.00196   0.00102   0.00279   3.11495
   D109      -0.01958   0.00003  -0.00610   0.00400  -0.00217  -0.02175
   D110       3.10150  -0.00000   0.00660  -0.00292   0.00376   3.10526
   D111      -0.03186   0.00014   0.01590  -0.00619   0.00979  -0.02207
   D112       0.02170  -0.00008   0.00352  -0.00327   0.00031   0.02201
   D113      -3.11166   0.00006   0.01281  -0.00655   0.00633  -3.10532
   D114      -0.04565  -0.00014  -0.00948   0.00612  -0.00334  -0.04898
   D115       3.08630   0.00004  -0.00151   0.00318   0.00154   3.08784
   D116       0.00293   0.00004   0.00349  -0.00170   0.00180   0.00473
   D117       3.11632   0.00003   0.00707  -0.00158   0.00550   3.12182
   D118      -3.12927  -0.00014  -0.00425   0.00116  -0.00294  -3.13221
   D119      -0.01589  -0.00014  -0.00067   0.00127   0.00076  -0.01512
   D120      -0.00731   0.00006   0.00183   0.00025   0.00204  -0.00527
   D121       3.11353   0.00008   0.01007  -0.00205   0.00806   3.12159
   D122       3.12616  -0.00008  -0.00742   0.00348  -0.00390   3.12226
   D123      -0.03619  -0.00006   0.00082   0.00118   0.00213  -0.03406
   D124      -0.00941  -0.00001  -0.00452   0.00209  -0.00246  -0.01187
   D125       3.13801  -0.00004  -0.00269  -0.00078  -0.00347   3.13454
   D126      -3.12998  -0.00003  -0.01316   0.00449  -0.00860  -3.13858
   D127       0.01744  -0.00006  -0.01133   0.00163  -0.00961   0.00783
   D128       0.01147  -0.00003   0.00181  -0.00133   0.00052   0.01199
   D129      -3.10044  -0.00003  -0.00207  -0.00140  -0.00338  -3.10382
   D130      -3.13596  -0.00000  -0.00004   0.00155   0.00152  -3.13443
   D131       0.03532  -0.00000  -0.00392   0.00147  -0.00238   0.03294
   D132       0.56836   0.00041   0.01871   0.00173   0.02045   0.58880
   D133      -2.57350   0.00040   0.02011   0.00047   0.02057  -2.55293
   D134      -2.56716   0.00038   0.02064  -0.00125   0.01940  -2.54776
   D135       0.57416   0.00037   0.02204  -0.00251   0.01953   0.59369
   D136      -3.13439   0.00005  -0.00044   0.00208   0.00162  -3.13278
   D137      -0.03908   0.00002   0.00822  -0.00263   0.00551  -0.03357
   D138       0.00794   0.00005  -0.00085   0.00261   0.00175   0.00969
   D139       3.10326   0.00001   0.00782  -0.00210   0.00564   3.10890
   D140      -3.13534   0.00000   0.00011   0.00070   0.00080  -3.13455
   D141      -0.03943   0.00000   0.01186  -0.00494   0.00682  -0.03262
   D142       0.00550   0.00001   0.00051   0.00016   0.00066   0.00617
   D143       3.10141   0.00001   0.01226  -0.00548   0.00668   3.10810
   D144      -3.13617   0.00006  -0.00044   0.00212   0.00166  -3.13451
   D145      -0.04370   0.00001   0.00168   0.00327   0.00490  -0.03880
   D146       0.00936   0.00004  -0.00051   0.00107   0.00054   0.00990
   D147       3.10183  -0.00002   0.00160   0.00222   0.00378   3.10562
   D148      -3.13271   0.00001  -0.00018   0.00073   0.00055  -3.13216
   D149      -0.04567   0.00001   0.00786  -0.00061   0.00716  -0.03851
   D150       0.00496   0.00004  -0.00012   0.00179   0.00167   0.00662
   D151       3.09199   0.00003   0.00793   0.00045   0.00828   3.10027
   D152       3.13328  -0.00004   0.00107  -0.00189  -0.00080   3.13248
   D153       0.03845  -0.00001  -0.00398  -0.00062  -0.00454   0.03391
   D154      -0.00805  -0.00003  -0.00027  -0.00066  -0.00092  -0.00897
   D155      -3.10288   0.00000  -0.00532   0.00060  -0.00466  -3.10754
   D156       3.13714  -0.00002  -0.00020  -0.00079  -0.00099   3.13616
   D157       0.04102  -0.00002  -0.00723   0.00100  -0.00617   0.03486
   D158      -0.00471  -0.00003   0.00113  -0.00201  -0.00086  -0.00557
   D159      -3.10083  -0.00003  -0.00589  -0.00023  -0.00604  -3.10687
   D160      -0.01513  -0.00007   0.00037  -0.00248  -0.00209  -0.01722
   D161       3.10511  -0.00006  -0.00476   0.00105  -0.00370   3.10140
   D162      -3.10810  -0.00001  -0.00128  -0.00380  -0.00511  -3.11321
   D163       0.01214  -0.00000  -0.00641  -0.00026  -0.00673   0.00541
   D164       0.00639   0.00003   0.00049   0.00098   0.00147   0.00786
   D165      -3.13403   0.00002  -0.00017   0.00098   0.00080  -3.13323
   D166      -3.11399   0.00002   0.00552  -0.00250   0.00300  -3.11099
   D167       0.02878   0.00001   0.00486  -0.00250   0.00233   0.03111
   D168       0.00771   0.00004  -0.00113   0.00185   0.00070   0.00841
   D169      -3.10932   0.00000   0.00169  -0.00090   0.00074  -3.10858
   D170      -3.13506   0.00004  -0.00047   0.00185   0.00137  -3.13369
   D171       0.03110   0.00001   0.00235  -0.00090   0.00141   0.03251
   D172       0.95775  -0.00034  -0.01525  -0.00288  -0.01813   0.93962
   D173      -2.18091  -0.00034  -0.01544  -0.00263  -0.01806  -2.19897
   D174      -2.18264  -0.00035  -0.01593  -0.00287  -0.01881  -2.20145
   D175       0.96188  -0.00035  -0.01612  -0.00262  -0.01875   0.94313
   D176      -0.01352  -0.00007   0.00101  -0.00330  -0.00229  -0.01581
   D177      -3.10097  -0.00006  -0.00643  -0.00211  -0.00865  -3.10962
   D178       3.10336  -0.00004  -0.00193  -0.00049  -0.00240   3.10096
   D179       0.01591  -0.00003  -0.00937   0.00070  -0.00876   0.00714
   D180      -0.01415  -0.00006   0.00058  -0.00321  -0.00261  -0.01676
   D181       3.10636  -0.00005  -0.00267  -0.00091  -0.00356   3.10280
   D182      -3.10964  -0.00002  -0.00770   0.00133  -0.00644  -3.11609
   D183       0.01086  -0.00001  -0.01094   0.00363  -0.00739   0.00347
   D184       0.00675   0.00002   0.00014   0.00093   0.00107   0.00782
   D185      -3.13383   0.00002  -0.00040   0.00137   0.00097  -3.13286
   D186      -3.11391   0.00001   0.00328  -0.00131   0.00195  -3.11196
   D187       0.02870   0.00001   0.00275  -0.00087   0.00184   0.03054
   D188       0.00650   0.00003  -0.00051   0.00182   0.00129   0.00779
   D189      -3.11383   0.00001   0.00122   0.00031   0.00149  -3.11234
   D190      -3.13611   0.00003   0.00002   0.00138   0.00140  -3.13471
   D191       0.02675   0.00001   0.00175  -0.00013   0.00159   0.02834
   D192      -2.14873  -0.00035  -0.01379  -0.00423  -0.01802  -2.16675
   D193       0.99824  -0.00035  -0.01357  -0.00422  -0.01779   0.98046
   D194       0.99389  -0.00035  -0.01434  -0.00378  -0.01812   0.97577
   D195      -2.14233  -0.00035  -0.01412  -0.00377  -0.01789  -2.16022
   D196      -0.01276  -0.00005   0.00020  -0.00239  -0.00217  -0.01493
   D197      -3.10887  -0.00004  -0.01107   0.00305  -0.00813  -3.11700
   D198       3.10740  -0.00003  -0.00163  -0.00082  -0.00243   3.10497
   D199       0.01128  -0.00002  -0.01290   0.00461  -0.00838   0.00290
   D200       0.01367   0.00006  -0.00048   0.00230   0.00181   0.01547
   D201      -3.10698   0.00004   0.00401  -0.00081   0.00320  -3.10378
   D202       3.10891   0.00002   0.00418   0.00117   0.00541   3.11432
   D203      -0.01174   0.00001   0.00867  -0.00193   0.00680  -0.00494
   D204      -0.00636  -0.00003   0.00029  -0.00122  -0.00093  -0.00729
   D205       3.13478  -0.00003   0.00048  -0.00141  -0.00092   3.13386
   D206       3.11443  -0.00001  -0.00410   0.00183  -0.00224   3.11219
   D207      -0.02761  -0.00001  -0.00391   0.00165  -0.00224  -0.02985
   D208      -0.00621  -0.00003   0.00060  -0.00143  -0.00082  -0.00703
   D209       3.11316   0.00001  -0.00267   0.00137  -0.00127   3.11189
   D210       3.13584  -0.00003   0.00041  -0.00124  -0.00082   3.13501
   D211      -0.02798   0.00001  -0.00286   0.00155  -0.00127  -0.02926
   D212       2.15777   0.00036   0.01510   0.00348   0.01858   2.17635
   D213      -0.98234   0.00036   0.01495   0.00354   0.01849  -0.96384
   D214      -0.98427   0.00036   0.01529   0.00329   0.01858  -0.96569
   D215       2.15880   0.00036   0.01514   0.00335   0.01850   2.17730
   D216       0.01186   0.00006  -0.00137   0.00310   0.00172   0.01359
   D217       3.10827   0.00005   0.00525   0.00144   0.00676   3.11503
   D218      -3.10735   0.00003   0.00200   0.00025   0.00224  -3.10511
   D219      -0.01095   0.00002   0.00862  -0.00141   0.00728  -0.00367
   D220      -3.13731  -0.00001  -0.00042   0.00034  -0.00007  -3.13738
   D221       0.02929   0.00004   0.00605  -0.00061   0.00547   0.03477
   D222      -0.00032  -0.00001  -0.00061   0.00034  -0.00026  -0.00058
   D223      -3.11690   0.00005   0.00586  -0.00061   0.00528  -3.11162
   D224       3.13639  -0.00001  -0.00038  -0.00007  -0.00045   3.13594
   D225       0.01960   0.00004   0.00610  -0.00095   0.00517   0.02477
   D226      -0.00061  -0.00001  -0.00019  -0.00007  -0.00026  -0.00086
   D227      -3.11739   0.00004   0.00629  -0.00095   0.00537  -3.11203
   D228      -3.13941  -0.00001  -0.00027   0.00007  -0.00020  -3.13961
   D229       0.03117   0.00004   0.00570  -0.00042   0.00531   0.03648
   D230      -0.00033  -0.00001  -0.00012  -0.00014  -0.00025  -0.00058
   D231      -3.11293   0.00004   0.00586  -0.00063   0.00526  -3.10767
   D232       3.13822  -0.00001  -0.00040   0.00014  -0.00025   3.13797
   D233       0.02477   0.00005   0.00568  -0.00040   0.00532   0.03009
   D234      -0.00087  -0.00001  -0.00056   0.00036  -0.00020  -0.00107
   D235      -3.11432   0.00005   0.00553  -0.00019   0.00537  -3.10895
   D236      -3.13984   0.00001   0.00056  -0.00035   0.00021  -3.13963
   D237      -0.02381  -0.00005  -0.00598   0.00039  -0.00562  -0.02943
   D238       0.00048   0.00001   0.00068  -0.00040   0.00028   0.00076
   D239       3.11652  -0.00005  -0.00586   0.00034  -0.00555   3.11097
   D240       3.14090   0.00001   0.00026   0.00005   0.00030   3.14120
   D241      -0.02683  -0.00004  -0.00589   0.00062  -0.00530  -0.03212
   D242       0.00057   0.00000   0.00013   0.00010   0.00023   0.00080
   D243       3.11603  -0.00004  -0.00601   0.00067  -0.00537   3.11066
   D244       0.00136   0.00002   0.00072  -0.00012   0.00059   0.00195
   D245      -3.12968   0.00001  -0.00151   0.00082  -0.00069  -3.13037
   D246       3.11673  -0.00004  -0.00488   0.00040  -0.00447   3.11226
   D247      -0.01431  -0.00005  -0.00711   0.00133  -0.00575  -0.02006
   D248       3.12370  -0.00003  -0.00150  -0.00024  -0.00176   3.12194
   D249      -0.00887  -0.00005   0.00111  -0.00222  -0.00113  -0.01001
   D250       0.01427   0.00004   0.00525  -0.00083   0.00440   0.01867
   D251      -3.11830   0.00002   0.00785  -0.00282   0.00502  -3.11328
   D252      -0.00185  -0.00002  -0.00105   0.00033  -0.00070  -0.00256
   D253       3.12781  -0.00001   0.00193  -0.00105   0.00091   3.12872
   D254       3.12708  -0.00001   0.00158  -0.00077   0.00083   3.12790
   D255      -0.02645   0.00000   0.00456  -0.00215   0.00244  -0.02401
   D256       0.00359   0.00003   0.00337  -0.00036   0.00299   0.00658
   D257       3.14107   0.00002   0.00267  -0.00093   0.00173  -3.14039
   D258      -3.12407   0.00001   0.00044   0.00087   0.00129  -3.12278
   D259       0.01341  -0.00000  -0.00026   0.00030   0.00003   0.01344
   D260       0.00169   0.00002   0.00099  -0.00042   0.00056   0.00225
   D261       3.11783  -0.00004  -0.00471   0.00015  -0.00455   3.11328
   D262      -3.12996   0.00000  -0.00153   0.00074  -0.00079  -3.13075
   D263      -0.01382  -0.00006  -0.00724   0.00131  -0.00591  -0.01972
   D264      -3.12510   0.00002   0.00026   0.00110   0.00135  -3.12375
   D265       0.01323  -0.00000  -0.00073   0.00054  -0.00020   0.01303
   D266       0.00336   0.00003   0.00358  -0.00042   0.00313   0.00650
   D267      -3.14149   0.00001   0.00259  -0.00099   0.00158  -3.13991
   D268       3.12432  -0.00003  -0.00164  -0.00009  -0.00174   3.12258
   D269      -0.01000  -0.00005   0.00136  -0.00219  -0.00085  -0.01085
   D270       0.01395   0.00004   0.00523  -0.00074   0.00447   0.01843
   D271      -3.12037   0.00002   0.00823  -0.00284   0.00537  -3.11500
   D272       0.00109   0.00002   0.00115  -0.00047   0.00067   0.00175
   D273      -3.13145   0.00001  -0.00130   0.00068  -0.00062  -3.13207
   D274       3.12004  -0.00004  -0.00490   0.00046  -0.00443   3.11561
   D275      -0.01250  -0.00005  -0.00734   0.00161  -0.00571  -0.01822
   D276       3.12630  -0.00003  -0.00193   0.00016  -0.00179   3.12451
   D277      -0.00734  -0.00005   0.00118  -0.00213  -0.00097  -0.00831
   D278       0.01245   0.00004   0.00536  -0.00094   0.00441   0.01686
   D279      -3.12118   0.00002   0.00847  -0.00324   0.00522  -3.11596
   D280      -0.00143  -0.00002  -0.00125   0.00042  -0.00081  -0.00224
   D281       3.12938  -0.00001   0.00140  -0.00092   0.00050   3.12988
   D282       3.12929  -0.00001   0.00164  -0.00094   0.00073   3.13001
   D283      -0.02309  -0.00000   0.00429  -0.00229   0.00204  -0.02105
   D284       0.00309   0.00003   0.00361  -0.00062   0.00297   0.00606
   D285       3.14141   0.00001   0.00253  -0.00110   0.00142  -3.14035
   D286      -3.12654   0.00002   0.00039   0.00089   0.00127  -3.12527
   D287       0.01179  -0.00000  -0.00069   0.00041  -0.00028   0.01151
   D288       0.00126   0.00002   0.00090  -0.00022   0.00066   0.00193
   D289       3.12041  -0.00004  -0.00514   0.00063  -0.00450   3.11591
   D290      -3.13135   0.00001  -0.00134   0.00091  -0.00044  -3.13179
   D291      -0.01221  -0.00005  -0.00738   0.00176  -0.00560  -0.01781
   D292      -3.12654   0.00001   0.00079   0.00077   0.00155  -3.12499
   D293       0.01194  -0.00000  -0.00031   0.00043   0.00011   0.01206
   D294       0.00319   0.00003   0.00374  -0.00071   0.00300   0.00619
   D295      -3.14151   0.00001   0.00264  -0.00106   0.00156  -3.13995
   D296       3.12616  -0.00003  -0.00199  -0.00000  -0.00201   3.12415
   D297      -0.00916  -0.00005   0.00096  -0.00231  -0.00137  -0.01053
   D298       0.01208   0.00003   0.00530  -0.00102   0.00427   0.01635
   D299      -3.12324   0.00001   0.00825  -0.00332   0.00491  -3.11832
   D300      -0.00132  -0.00002  -0.00121   0.00053  -0.00067  -0.00198
   D301       3.13113  -0.00001   0.00121  -0.00068   0.00053   3.13165
   D302      -3.11978   0.00004   0.00490  -0.00021   0.00468  -3.11510
   D303       0.01266   0.00005   0.00732  -0.00142   0.00588   0.01854
   D304      -3.12589   0.00003   0.00203  -0.00004   0.00201  -3.12388
   D305       0.00896   0.00005  -0.00107   0.00221   0.00116   0.01012
   D306      -0.01265  -0.00004  -0.00534   0.00083  -0.00450  -0.01715
   D307       3.12219  -0.00002  -0.00844   0.00308  -0.00535   3.11685
   D308       0.00163   0.00002   0.00127  -0.00046   0.00080   0.00243
   D309      -3.12858   0.00001  -0.00157   0.00087  -0.00072  -3.12930
   D310      -3.12897   0.00001  -0.00158   0.00098  -0.00063  -3.12960
   D311       0.02400   0.00000  -0.00442   0.00231  -0.00215   0.02186
   D312      -0.00320  -0.00003  -0.00356   0.00047  -0.00306  -0.00626
   D313       3.14149  -0.00001  -0.00265   0.00109  -0.00156   3.13993
   D314       3.12630  -0.00002  -0.00038  -0.00112  -0.00149   3.12482
   D315      -0.01220   0.00000   0.00053  -0.00051   0.00002  -0.01217
   D316      -0.00137  -0.00002  -0.00087   0.00022  -0.00064  -0.00201
   D317      -3.11932   0.00004   0.00486  -0.00035   0.00450  -3.11482
   D318       3.13075  -0.00000   0.00153  -0.00090   0.00063   3.13138
   D319       0.01280   0.00005   0.00727  -0.00148   0.00577   0.01857
   D320       3.12589  -0.00002  -0.00044  -0.00102  -0.00144   3.12445
   D321      -0.01217   0.00000   0.00053  -0.00051   0.00003  -0.01214
   D322      -0.00318  -0.00003  -0.00360   0.00046  -0.00312  -0.00630
   D323      -3.14124  -0.00001  -0.00263   0.00097  -0.00165   3.14029
   D324      -3.12539   0.00003   0.00166   0.00026   0.00193  -3.12345
   D325       0.00862   0.00005  -0.00122   0.00237   0.00117   0.00979
   D326      -0.01278  -0.00003  -0.00526   0.00093  -0.00432  -0.01710
   D327       3.12122  -0.00001  -0.00814   0.00305  -0.00508   3.11614
   D328       0.00631   0.00000   0.00174  -0.00095   0.00079   0.00710
   D329       3.14139   0.00004   0.00160   0.00030   0.00190  -3.13989
   D330      -3.13201   0.00002   0.00274  -0.00039   0.00235  -3.12966
   D331       0.00307   0.00006   0.00260   0.00086   0.00346   0.00653
   D332      -0.00607  -0.00002  -0.00375   0.00154  -0.00220  -0.00827
   D333       3.13205   0.00001  -0.00106   0.00044  -0.00062   3.13143
   D334      -3.14116  -0.00005  -0.00361   0.00030  -0.00331   3.13871
   D335      -0.00305  -0.00003  -0.00093  -0.00080  -0.00173  -0.00478
   D336      -0.00407  -0.00000   0.00027  -0.00069  -0.00042  -0.00449
   D337       3.13029   0.00002  -0.00272   0.00141  -0.00133   3.12896
   D338       3.14099  -0.00003  -0.00242   0.00041  -0.00200   3.13899
   D339      -0.00783  -0.00001  -0.00541   0.00251  -0.00291  -0.01074
   D340      -0.00395  -0.00000   0.00019  -0.00062  -0.00043  -0.00439
   D341      -3.14097  -0.00003  -0.00266   0.00053  -0.00212   3.14009
   D342       3.12867   0.00002  -0.00242   0.00137  -0.00107   3.12760
   D343      -0.00835  -0.00001  -0.00527   0.00252  -0.00276  -0.01111
   D344      -0.00644  -0.00002  -0.00375   0.00156  -0.00219  -0.00863
   D345      -3.14053  -0.00005  -0.00360   0.00025  -0.00336   3.13930
   D346       3.13056   0.00001  -0.00091   0.00041  -0.00049   3.13007
   D347      -0.00353  -0.00003  -0.00076  -0.00090  -0.00166  -0.00519
   D348       0.00651   0.00000   0.00189  -0.00103   0.00086   0.00737
   D349      -3.13096   0.00002   0.00260  -0.00047   0.00212  -3.12884
   D350       3.14058   0.00004   0.00174   0.00029   0.00203  -3.14058
   D351       0.00311   0.00005   0.00245   0.00085   0.00329   0.00640
   D352       0.00539  -0.00000   0.00164  -0.00098   0.00066   0.00605
   D353       3.14106   0.00004   0.00161   0.00036   0.00197  -3.14015
   D354      -3.13309   0.00001   0.00274  -0.00063   0.00210  -3.13098
   D355       0.00259   0.00005   0.00272   0.00070   0.00342   0.00600
   D356      -0.00542  -0.00001  -0.00371   0.00174  -0.00197  -0.00739
   D357       3.13298   0.00002  -0.00087   0.00052  -0.00035   3.13263
   D358      -3.14111  -0.00005  -0.00369   0.00041  -0.00328   3.13879
   D359      -0.00271  -0.00003  -0.00085  -0.00081  -0.00166  -0.00437
   D360      -0.00332  -0.00000   0.00025  -0.00073  -0.00049  -0.00380
   D361       3.13203   0.00002  -0.00270   0.00157  -0.00114   3.13089
   D362       3.14146  -0.00003  -0.00260   0.00049  -0.00210   3.13935
   D363      -0.00638  -0.00001  -0.00554   0.00279  -0.00276  -0.00914
   D364      -0.00338  -0.00000   0.00017  -0.00068  -0.00050  -0.00388
   D365      -3.14076  -0.00002  -0.00229   0.00033  -0.00194   3.14048
   D366       3.13029   0.00002  -0.00294   0.00163  -0.00134   3.12895
   D367      -0.00709  -0.00001  -0.00540   0.00264  -0.00278  -0.00987
   D368      -0.00575  -0.00001  -0.00372   0.00162  -0.00209  -0.00784
   D369      -3.14060  -0.00005  -0.00334   0.00023  -0.00311   3.13948
   D370       3.13161   0.00001  -0.00126   0.00061  -0.00065   3.13096
   D371      -0.00324  -0.00003  -0.00089  -0.00077  -0.00166  -0.00490
   D372       0.00579  -0.00000   0.00174  -0.00093   0.00081   0.00660
   D373      -3.13253   0.00002   0.00283  -0.00046   0.00236  -3.13017
   D374       3.14062   0.00003   0.00136   0.00046   0.00182  -3.14074
   D375       0.00230   0.00006   0.00245   0.00093   0.00338   0.00568
   D376      -0.00585   0.00000  -0.00172   0.00101  -0.00071  -0.00657
   D377      -3.14064  -0.00004  -0.00171  -0.00030  -0.00201   3.14053
   D378       3.13221  -0.00002  -0.00270   0.00051  -0.00219   3.13002
   D379      -0.00258  -0.00006  -0.00269  -0.00081  -0.00349  -0.00607
   D380       0.00576   0.00002   0.00373  -0.00158   0.00215   0.00792
   D381      -3.13179  -0.00002   0.00085  -0.00045   0.00040  -3.13139
   D382       3.14057   0.00006   0.00372  -0.00027   0.00345  -3.13917
   D383       0.00301   0.00003   0.00083   0.00086   0.00169   0.00471
   D384       0.00356  -0.00000  -0.00024   0.00060   0.00036   0.00392
   D385      -3.13048  -0.00002   0.00264  -0.00152   0.00114  -3.12935
   D386       3.14113   0.00003   0.00265  -0.00053   0.00211  -3.13995
   D387       0.00709   0.00001   0.00553  -0.00265   0.00288   0.00997
   D388       0.00358   0.00000  -0.00023   0.00069   0.00046   0.00404
   D389      -3.14146   0.00003   0.00260  -0.00044   0.00216  -3.13931
   D390      -3.13130  -0.00002   0.00286  -0.00157   0.00132  -3.12998
   D391       0.00684   0.00001   0.00569  -0.00269   0.00302   0.00985
   D392       0.00558   0.00002   0.00381  -0.00160   0.00221   0.00779
   D393       3.14096   0.00005   0.00369  -0.00032   0.00337  -3.13885
   D394      -3.13254  -0.00001   0.00098  -0.00048   0.00051  -3.13204
   D395       0.00284   0.00003   0.00086   0.00081   0.00167   0.00451
   D396      -0.00568  -0.00000  -0.00183   0.00098  -0.00085  -0.00652
   D397       3.13282  -0.00002  -0.00274   0.00037  -0.00236   3.13046
   D398      -3.14104  -0.00004  -0.00170  -0.00031  -0.00202   3.14013
   D399      -0.00254  -0.00006  -0.00262  -0.00092  -0.00353  -0.00607
   D400       1.52997  -0.00004  -0.00408   0.01038   0.00714   1.53711
   D401      -0.74188   0.00046  -0.00233   0.01106   0.00882  -0.73306
   D402      -2.98694   0.00103  -0.00620   0.01282   0.00714  -2.97979
   D403      -3.05217  -0.00002  -0.00258  -0.00131  -0.00337  -3.05554
   D404      -0.88883  -0.00003  -0.00060  -0.00251  -0.00307  -0.89190
   D405       1.36968  -0.00015  -0.00036  -0.00187  -0.00278   1.36690
   D406       2.74667  -0.00003  -0.00401  -0.00640  -0.01088   2.73579
   D407      -1.41206  -0.00006  -0.00429  -0.00616  -0.01103  -1.42308
   D408       0.60739   0.00032  -0.00419  -0.00426  -0.00905   0.59834
   D409       3.02457  -0.00004  -0.00286  -0.00234  -0.00520   3.01937
   D410      -1.14910  -0.00001  -0.00103  -0.00343  -0.00447  -1.15357
   D411       0.90843  -0.00011  -0.00503  -0.00139  -0.00642   0.90201
   D412       3.11592   0.00012  -0.00245   0.00136  -0.00078   3.11514
   D413      -1.08339   0.00015  -0.00249   0.00162  -0.00058  -1.08397
   D414       1.03249   0.00016  -0.00107   0.00106   0.00029   1.03278
   D415       1.05772   0.00003  -0.00188   0.00101  -0.00123   1.05649
   D416      -3.14159   0.00005  -0.00193   0.00127  -0.00102   3.14058
   D417      -1.02570   0.00007  -0.00051   0.00071  -0.00015  -1.02586
   D418      -1.08228  -0.00022  -0.00329   0.00068  -0.00255  -1.08483
   D419       1.00160  -0.00020  -0.00333   0.00093  -0.00235   0.99925
   D420       3.11748  -0.00018  -0.00191   0.00037  -0.00148   3.11600
   D421       1.50389  -0.00058  -0.01772  -0.01091  -0.02824   1.47565
   D422      -2.71801  -0.00028  -0.01824  -0.01219  -0.03047  -2.74848
   D423      -0.52392  -0.00044  -0.01682  -0.01307  -0.02979  -0.55371
   D424      -1.54867   0.00041   0.01576   0.00937   0.02384  -1.52483
   D425       2.65820   0.00039   0.01624   0.01178   0.02743   2.68563
   D426       0.46570   0.00047   0.01523   0.01144   0.02636   0.49206
   D427       1.05543  -0.00004  -0.00171  -0.00174  -0.00346   1.05197
   D428      -3.13868  -0.00004  -0.00231  -0.00122  -0.00353   3.14097
   D429      -1.05114  -0.00003  -0.00193  -0.00121  -0.00314  -1.05428
   D430      -1.01930   0.00001  -0.00079  -0.00225  -0.00305  -1.02235
   D431       1.06978   0.00001  -0.00140  -0.00173  -0.00313   1.06665
   D432      -3.12587   0.00002  -0.00102  -0.00172  -0.00273  -3.12860
   D433       3.13461  -0.00000  -0.00179  -0.00159  -0.00338   3.13123
   D434      -1.05950  -0.00001  -0.00240  -0.00107  -0.00346  -1.06296
   D435       1.02804   0.00000  -0.00201  -0.00106  -0.00307   1.02497
   D436      -1.48885  -0.00006   0.01501   0.00774   0.02233  -1.46652
   D437      -1.39890  -0.00022   0.00922   0.00924   0.01747  -1.38143
   D438       0.30683   0.00012   0.00898   0.00697   0.01580   0.32262
   D439       1.10790  -0.00009   0.00357  -0.00298   0.00078   1.10868
   D440       0.93302  -0.00029  -0.00331  -0.00122  -0.00519   0.92783
   D441      -0.29192  -0.00022  -0.00883  -0.00665  -0.01530  -0.30722
         Item               Value     Threshold  Converged?
 Maximum Force            0.002516     0.000450     NO 
 RMS     Force            0.000269     0.000300     YES
 Maximum Displacement     0.577776     0.001800     NO 
 RMS     Displacement     0.070080     0.001200     NO 
 Predicted change in Energy=-4.617756D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.710815    2.846068    0.384079
      2          6           0       -1.984301    1.476389    0.456147
      3          6           0       -0.964069    0.513549    0.446433
      4          6           0        0.375371    0.952031    0.399840
      5          6           0        0.657743    2.320852    0.295978
      6          6           0       -0.365821    3.252953    0.286705
      7          6           0       -1.236393   -0.931217    0.396623
      8          6           0       -0.181013   -1.867231    0.589218
      9          6           0        1.150429   -1.379533    0.932048
     10          6           0        1.475645   -0.013204    0.503457
     11          6           0       -2.502206   -1.415336    0.043751
     12          6           0       -2.761331   -2.775294   -0.163864
     13          6           0       -1.680726   -3.670570   -0.066980
     14          6           0       -0.423948   -3.222435    0.293061
     15          7           0        2.203461   -2.253039    1.162585
     16          6           0        3.523593   -1.832959    0.850433
     17          6           0        3.718021   -0.512045    0.375230
     18          7           0        2.686403    0.382266    0.237984
     19          6           0        4.638630   -2.684917    0.925035
     20          6           0        5.896396   -2.227850    0.566186
     21          6           0        6.116473   -0.909495    0.109840
     22          6           0        5.007178   -0.075974    0.017722
     23          6           0       -2.808716    3.844237    0.410787
     24          6           0       -4.118746   -3.243327   -0.524391
     25          6           0        7.473123   -0.439083   -0.260546
     26          6           0       -4.309953   -4.339787   -1.383567
     27          6           0       -5.585241   -4.774136   -1.728764
     28          6           0       -6.714389   -4.132017   -1.204138
     29          6           0       -6.541807   -3.044649   -0.337981
     30          6           0       -5.262748   -2.605067   -0.013672
     31          6           0       -2.652828    5.073411    1.074222
     32          6           0       -3.681536    6.009722    1.112216
     33          6           0       -4.895545    5.747717    0.465814
     34          6           0       -5.064282    4.532510   -0.208679
     35          6           0       -4.036651    3.594529   -0.225525
     36          6           0        8.411163   -1.307173   -0.844689
     37          6           0        9.680874   -0.864541   -1.202608
     38          6           0       10.055390    0.463971   -0.967073
     39          6           0        9.135565    1.339749   -0.376972
     40          6           0        7.862483    0.892746   -0.038040
     41          7           0       -5.944565    6.704067    0.492538
     42          7           0       -8.015845   -4.578128   -1.545565
     43          7           0       11.352252    0.917159   -1.321847
     44          6           0       -8.495785   -5.888559   -1.411696
     45          6           0       -9.839571   -5.934353   -1.861136
     46          6           0      -10.187022   -4.594640   -2.287727
     47          6           0       -9.042198   -3.785213   -2.078008
     48          6           0       -7.249882    6.476535    0.946875
     49          6           0       -8.000753    7.671431    0.808279
     50          6           0       -7.110508    8.664056    0.243145
     51          6           0       -5.852770    8.034206    0.063313
     52          6           0       11.641289    2.008142   -2.152518
     53          6           0       13.048414    2.139266   -2.266985
     54          6           0       13.635767    1.083243   -1.468726
     55          6           0       12.562688    0.349319   -0.902727
     56          6           0      -11.344736   -4.024627   -2.829015
     57          6           0      -11.344850   -2.672484   -3.158204
     58          6           0      -10.196156   -1.888810   -2.958915
     59          6           0       -9.030705   -2.430633   -2.420620
     60          6           0       -7.857422   -7.019384   -0.895746
     61          6           0       -8.580530   -8.209858   -0.856765
     62          6           0       -9.907258   -8.277104   -1.313519
     63          6           0      -10.542291   -7.143460   -1.811785
     64          6           0       -7.269312   10.003972   -0.128219
     65          6           0       -6.188220   10.689194   -0.674501
     66          6           0       -4.953392   10.044892   -0.859113
     67          6           0       -4.767140    8.712422   -0.497033
     68          6           0       -7.808450    5.319695    1.496721
     69          6           0       -9.144199    5.369735    1.889806
     70          6           0       -9.907560    6.540462    1.745743
     71          6           0       -9.341087    7.693328    1.210304
     72          6           0       14.953421    0.709246   -1.181863
     73          6           0       15.182871   -0.373741   -0.338530
     74          6           0       14.107550   -1.080022    0.225856
     75          6           0       12.786105   -0.730066   -0.043936
     76          6           0       10.768281    2.861127   -2.832789
     77          6           0       11.327344    3.867146   -3.618148
     78          6           0       12.719222    4.021337   -3.730741
     79          6           0       13.583110    3.159486   -3.061789
     80          8           0        0.634013   -3.733970    2.901334
     81         15           0        1.985069   -3.589626    2.338309
     82          8           0        3.197120   -3.425174    3.357974
     83          8           0        2.505497   -4.789715    1.397068
     84          6           0        3.105318   -2.567520    4.552912
     85          6           0        4.128062   -3.072555    5.546965
     86          6           0        2.411322   -6.154560    1.907462
     87          6           0        2.794371   -7.095417    0.783560
     88          1           0       -3.015175    1.161314    0.559776
     89          1           0        1.694917    2.629600    0.245312
     90          1           0       -0.129913    4.308734    0.202300
     91          1           0       -3.300065   -0.707761   -0.141809
     92          1           0       -1.832734   -4.726992   -0.259025
     93          1           0        0.393316   -3.930132    0.303504
     94          1           0        4.525475   -3.707736    1.249921
     95          1           0        6.736642   -2.908593    0.654784
     96          1           0        5.086978    0.938398   -0.356303
     97          1           0       -3.449184   -4.834119   -1.822045
     98          1           0       -5.715027   -5.598081   -2.422092
     99          1           0       -7.412713   -2.564302    0.094649
    100          1           0       -5.148268   -1.780355    0.682431
    101          1           0       -1.727144    5.282365    1.600688
    102          1           0       -3.558612    6.938696    1.658699
    103          1           0       -5.994008    4.339202   -0.733096
    104          1           0       -4.176266    2.667626   -0.772662
    105          1           0        8.131920   -2.333856   -1.059261
    106          1           0       10.381428   -1.538042   -1.684537
    107          1           0        9.431689    2.362043   -0.167713
    108          1           0        7.171370    1.578767    0.441181
    109          1           0      -12.229722   -4.632595   -2.993628
    110          1           0      -12.237207   -2.218195   -3.577319
    111          1           0      -10.212567   -0.837530   -3.230815
    112          1           0       -8.144868   -1.821441   -2.280915
    113          1           0       -6.838141   -6.973296   -0.529259
    114          1           0       -8.105401   -9.102803   -0.461369
    115          1           0      -10.441405   -9.221165   -1.270949
    116          1           0      -11.572055   -7.193352   -2.153869
    117          1           0       -8.226506   10.500017    0.005098
    118          1           0       -6.298566   11.729271   -0.965242
    119          1           0       -4.123867   10.594112   -1.294744
    120          1           0       -3.814213    8.218813   -0.651523
    121          1           0       -7.222208    4.416200    1.621633
    122          1           0       -9.601466    4.483068    2.319022
    123          1           0      -10.946481    6.544627    2.060515
    124          1           0       -9.929044    8.601130    1.109072
    125          1           0       15.785434    1.261518   -1.609330
    126          1           0       16.200508   -0.674147   -0.109234
    127          1           0       14.306911   -1.916513    0.889215
    128          1           0       11.961597   -1.272965    0.404388
    129          1           0        9.693109    2.742137   -2.759621
    130          1           0       10.669433    4.544198   -4.154976
    131          1           0       13.121710    4.817501   -4.349225
    132          1           0       14.659184    3.272926   -3.157547
    133          1           0        3.292965   -1.543080    4.229698
    134          1           0        2.082634   -2.612574    4.928549
    135          1           0        4.104076   -2.437786    6.438260
    136          1           0        3.910964   -4.100555    5.851123
    137          1           0        5.137593   -3.036820    5.127571
    138          1           0        3.088684   -6.250573    2.762215
    139          1           0        1.387209   -6.325487    2.251631
    140          1           0        3.816097   -6.905024    0.444058
    141          1           0        2.734443   -8.130152    1.134927
    142          1           0        2.118515   -6.980128   -0.068035
    143         17           0        0.847465   -0.370240    3.250312
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0186131           0.0073318           0.0056940
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13520.2247445000 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.36D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    0.999998   -0.001740   -0.000068    0.001378 Ang=  -0.25 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.67866345     A.U. after   13 cycles
            NFock= 13  Conv=0.28D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000594723   -0.000203693    0.000055734
      2        6           0.000540275    0.000353912   -0.000420953
      3        6          -0.000255728   -0.000028424   -0.000228219
      4        6           0.000006242   -0.000197853    0.000185686
      5        6          -0.000053061   -0.000040016    0.000129320
      6        6           0.000054604    0.000184165    0.000259847
      7        6          -0.000077486   -0.000555161    0.000291568
      8        6          -0.001212534   -0.000076772   -0.001507255
      9        6           0.000075598    0.000566349    0.003738596
     10        6           0.000720534    0.000618422   -0.001377063
     11        6           0.000504454    0.000161393    0.000185209
     12        6           0.000237454    0.000296756    0.000081265
     13        6          -0.000395341   -0.000243582   -0.000015822
     14        6           0.000400537    0.000579235   -0.000251111
     15        7          -0.000388880   -0.000006238   -0.000302265
     16        6          -0.000181511   -0.000123609    0.000021895
     17        6           0.000440880   -0.000180317    0.000222849
     18        7          -0.000528008    0.000014343   -0.000201021
     19        6          -0.000003836    0.000124823   -0.000216482
     20        6           0.000138834    0.000163371   -0.000172661
     21        6           0.000120629   -0.000132427   -0.000032264
     22        6          -0.000147137   -0.000196171    0.000109261
     23        6           0.000242586   -0.000144359   -0.000089555
     24        6          -0.000250611   -0.000211728   -0.000109595
     25        6          -0.000068677   -0.000060310    0.000060680
     26        6          -0.000027894    0.000157320    0.000039346
     27        6           0.000125181    0.000114811    0.000180923
     28        6          -0.000519645   -0.000355385   -0.000175868
     29        6           0.000171518    0.000106520   -0.000088019
     30        6          -0.000001143   -0.000012394    0.000006376
     31        6           0.000112359    0.000120523   -0.000224851
     32        6           0.000229251   -0.000064505   -0.000178069
     33        6          -0.000828634    0.000414088    0.000030608
     34        6           0.000248693   -0.000172368    0.000197817
     35        6          -0.000059408   -0.000182331    0.000279373
     36        6           0.000018045    0.000028445    0.000057616
     37        6          -0.000184969   -0.000081077    0.000177637
     38        6           0.000605397    0.000443593   -0.000151555
     39        6          -0.000187663   -0.000180620   -0.000095443
     40        6           0.000004237    0.000096981   -0.000084253
     41        7          -0.000067840    0.000041419    0.000030905
     42        7          -0.000174958   -0.000151772   -0.000075501
     43        7           0.000137789    0.000079917   -0.000039202
     44        6           0.000215358    0.000535194   -0.000072835
     45        6           0.000049020    0.000052200   -0.000159054
     46        6          -0.000008050   -0.000028855    0.000186783
     47        6           0.000457002   -0.000028816    0.000335621
     48        6           0.000480583    0.000040197   -0.000269990
     49        6           0.000024283   -0.000016905   -0.000191467
     50        6           0.000041764   -0.000014317    0.000187259
     51        6           0.000268741   -0.000397326    0.000227532
     52        6          -0.000166268   -0.000372912    0.000393636
     53        6          -0.000018170    0.000047932    0.000192621
     54        6          -0.000022462   -0.000075248   -0.000180997
     55        6          -0.000509936   -0.000116696   -0.000214864
     56        6          -0.000097246   -0.000081573   -0.000088526
     57        6          -0.000048625   -0.000107914   -0.000057609
     58        6           0.000220688    0.000238992    0.000161496
     59        6          -0.000190466   -0.000109056   -0.000180280
     60        6          -0.000222143   -0.000186640    0.000018542
     61        6           0.000335552    0.000151205    0.000046467
     62        6          -0.000129737   -0.000024772   -0.000010733
     63        6          -0.000128699   -0.000068340   -0.000005395
     64        6          -0.000141943    0.000048472   -0.000048493
     65        6          -0.000122667   -0.000006107   -0.000006685
     66        6           0.000357565   -0.000066913    0.000051322
     67        6          -0.000227236    0.000099253   -0.000087085
     68        6          -0.000229466    0.000096301    0.000102026
     69        6           0.000280352   -0.000215493   -0.000057608
     70        6          -0.000067496    0.000101487    0.000023895
     71        6          -0.000122735    0.000074199    0.000048866
     72        6           0.000099035    0.000118329    0.000010638
     73        6           0.000055023    0.000113487   -0.000017838
     74        6          -0.000226085   -0.000288995    0.000034686
     75        6           0.000204937    0.000180730    0.000050896
     76        6           0.000191582    0.000129817   -0.000155421
     77        6          -0.000325471   -0.000134491    0.000110471
     78        6           0.000121146    0.000018017   -0.000033583
     79        6           0.000128304    0.000049538   -0.000063068
     80        8          -0.000334529   -0.000057817    0.000330545
     81       15           0.000585610    0.000558035   -0.000044404
     82        8          -0.000206449    0.001062285   -0.000053248
     83        8          -0.000004563   -0.000503742    0.000340326
     84        6          -0.000431876   -0.000746951   -0.000943784
     85        6          -0.000159852    0.000082884    0.000215137
     86        6          -0.000151222    0.000081649    0.000135173
     87        6          -0.000013670   -0.000043926    0.000098354
     88        1          -0.000340942   -0.000109324    0.000421946
     89        1          -0.000061411    0.000108499   -0.000091544
     90        1           0.000111398    0.000131929   -0.000254247
     91        1          -0.000132616   -0.000020877   -0.000279837
     92        1           0.000142664   -0.000090807    0.000107002
     93        1          -0.000285347   -0.000112456   -0.000113932
     94        1           0.000088063    0.000209805    0.000010610
     95        1           0.000049472   -0.000039181    0.000253506
     96        1          -0.000039084    0.000041754   -0.000179204
     97        1          -0.000007842   -0.000040706   -0.000224145
     98        1           0.000098635   -0.000035882   -0.000042140
     99        1          -0.000031896    0.000072720    0.000080021
    100        1          -0.000102388   -0.000153349    0.000185816
    101        1          -0.000037152   -0.000020139    0.000273565
    102        1           0.000096395    0.000079465    0.000039503
    103        1          -0.000000349   -0.000122788   -0.000061406
    104        1           0.000039569    0.000025568   -0.000326635
    105        1           0.000016813   -0.000037212   -0.000204514
    106        1           0.000030604   -0.000120252   -0.000008102
    107        1          -0.000087936    0.000080141    0.000026311
    108        1           0.000070853    0.000081381    0.000176764
    109        1          -0.000035238    0.000040685   -0.000019970
    110        1          -0.000029125   -0.000023493   -0.000004576
    111        1          -0.000012866   -0.000013627   -0.000045565
    112        1          -0.000031000    0.000095343    0.000064778
    113        1           0.000093573   -0.000043360   -0.000033125
    114        1          -0.000036711   -0.000022909    0.000024230
    115        1          -0.000028988   -0.000018559   -0.000017718
    116        1           0.000018547   -0.000053572    0.000016601
    117        1           0.000015666    0.000057351   -0.000022444
    118        1          -0.000033734    0.000012914    0.000003660
    119        1          -0.000036684    0.000008919   -0.000037492
    120        1           0.000079868    0.000067378    0.000051819
    121        1           0.000007401   -0.000101295   -0.000058267
    122        1          -0.000026909    0.000018718    0.000036608
    123        1          -0.000032686    0.000019144   -0.000006236
    124        1          -0.000031422   -0.000045696    0.000023699
    125        1           0.000042038   -0.000029544    0.000031881
    126        1           0.000028958    0.000020899   -0.000011918
    127        1           0.000024913    0.000036016    0.000028253
    128        1           0.000020424   -0.000107532   -0.000021356
    129        1          -0.000095181    0.000051471    0.000046682
    130        1           0.000030019    0.000002981   -0.000043173
    131        1           0.000030433    0.000021205   -0.000000966
    132        1          -0.000024888    0.000040763   -0.000035805
    133        1           0.000530697    0.000410439    0.000367897
    134        1           0.000031198   -0.000614221    0.000758987
    135        1           0.000102807   -0.000027951    0.000083760
    136        1          -0.000026092    0.000001063   -0.000015115
    137        1          -0.000009575    0.000002470   -0.000021544
    138        1           0.000114435    0.000050733   -0.000039374
    139        1           0.000005852   -0.000012762   -0.000060800
    140        1           0.000034753   -0.000010247   -0.000031331
    141        1           0.000018368    0.000008280   -0.000035064
    142        1          -0.000007810   -0.000023365   -0.000040630
    143       17           0.000916563   -0.000998599   -0.001390535
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003738596 RMS     0.000314515

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001461771 RMS     0.000152456
 Search for a local minimum.
 Step number  13 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   11   12   13
 DE= -5.19D-04 DEPred=-4.62D-04 R= 1.12D+00
 TightC=F SS=  1.41D+00  RLast= 2.13D-01 DXNew= 4.0363D+00 6.3801D-01
 Trust test= 1.12D+00 RLast= 2.13D-01 DXMaxT set to 2.40D+00
 ITU=  1  1  1  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00416   0.00420   0.00493   0.00840   0.01327
     Eigenvalues ---    0.01606   0.01660   0.01983   0.02515   0.02589
     Eigenvalues ---    0.02605   0.02662   0.02682   0.02698   0.02705
     Eigenvalues ---    0.02708   0.02711   0.02713   0.02717   0.02720
     Eigenvalues ---    0.02726   0.02728   0.02733   0.02735   0.02745
     Eigenvalues ---    0.02756   0.02769   0.02770   0.02773   0.02774
     Eigenvalues ---    0.02774   0.02779   0.02783   0.02785   0.02786
     Eigenvalues ---    0.02789   0.02791   0.02791   0.02791   0.02792
     Eigenvalues ---    0.02792   0.02793   0.02793   0.02796   0.02800
     Eigenvalues ---    0.02801   0.02802   0.02803   0.02803   0.02805
     Eigenvalues ---    0.02806   0.02807   0.02807   0.02808   0.02808
     Eigenvalues ---    0.02810   0.02811   0.02812   0.02817   0.02817
     Eigenvalues ---    0.02818   0.02818   0.02818   0.02819   0.02819
     Eigenvalues ---    0.02825   0.02830   0.02834   0.02841   0.02844
     Eigenvalues ---    0.02845   0.02845   0.02846   0.02847   0.02847
     Eigenvalues ---    0.02850   0.02854   0.02865   0.02868   0.02868
     Eigenvalues ---    0.02869   0.02869   0.02872   0.02873   0.02875
     Eigenvalues ---    0.02876   0.02877   0.02878   0.02878   0.02879
     Eigenvalues ---    0.02879   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02886   0.02886   0.02887
     Eigenvalues ---    0.02891   0.02892   0.02892   0.02896   0.02897
     Eigenvalues ---    0.02898   0.02898   0.02898   0.02899   0.02902
     Eigenvalues ---    0.02908   0.02909   0.02911   0.02941   0.02942
     Eigenvalues ---    0.02943   0.02997   0.03023   0.03024   0.03025
     Eigenvalues ---    0.03039   0.03133   0.03133   0.03134   0.03148
     Eigenvalues ---    0.03150   0.03160   0.03270   0.03599   0.03781
     Eigenvalues ---    0.04255   0.04741   0.05010   0.05375   0.05518
     Eigenvalues ---    0.05572   0.05574   0.05622   0.05733   0.05780
     Eigenvalues ---    0.07289   0.08744   0.09184   0.10522   0.11435
     Eigenvalues ---    0.11551   0.12912   0.12935   0.13660   0.15344
     Eigenvalues ---    0.15687   0.15924   0.15959   0.15981   0.15985
     Eigenvalues ---    0.15986   0.15989   0.15989   0.15992   0.15994
     Eigenvalues ---    0.15996   0.15996   0.15997   0.15997   0.15997
     Eigenvalues ---    0.15997   0.15998   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16003
     Eigenvalues ---    0.16006   0.16018   0.16042   0.16056   0.16133
     Eigenvalues ---    0.16474   0.17614   0.18359   0.18916   0.20811
     Eigenvalues ---    0.21046   0.21985   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22002   0.22002
     Eigenvalues ---    0.22011   0.22436   0.22475   0.22522   0.22601
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22603   0.22700
     Eigenvalues ---    0.22966   0.22973   0.23021   0.23409   0.23495
     Eigenvalues ---    0.23624   0.23751   0.23997   0.24007   0.24078
     Eigenvalues ---    0.24382   0.24487   0.24488   0.24491   0.24534
     Eigenvalues ---    0.24537   0.24569   0.24769   0.24930   0.24982
     Eigenvalues ---    0.24985   0.24986   0.24988   0.24988   0.24989
     Eigenvalues ---    0.24996   0.24998   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25003   0.25010
     Eigenvalues ---    0.25058   0.25189   0.25475   0.26419   0.27895
     Eigenvalues ---    0.28381   0.29100   0.29763   0.29788   0.30713
     Eigenvalues ---    0.32016   0.32098   0.32128   0.32141   0.32146
     Eigenvalues ---    0.32150   0.32177   0.32220   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33293   0.33317
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33462   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33584   0.33586   0.33595   0.33631   0.33636
     Eigenvalues ---    0.33639   0.33642   0.33646   0.33663   0.33703
     Eigenvalues ---    0.33722   0.33739   0.33820   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33920   0.33941
     Eigenvalues ---    0.33947   0.33954   0.33959   0.34292   0.34464
     Eigenvalues ---    0.34823   0.34924   0.35051   0.38709   0.41608
     Eigenvalues ---    0.42783   0.44271   0.44431   0.44435   0.44441
     Eigenvalues ---    0.44478   0.46130   0.47703   0.48765   0.48966
     Eigenvalues ---    0.48974   0.49266   0.49503   0.49771   0.49801
     Eigenvalues ---    0.49816   0.49852   0.49932   0.49977   0.50091
     Eigenvalues ---    0.50236   0.50343   0.50403   0.50408   0.50526
     Eigenvalues ---    0.50611   0.50614   0.50620   0.51528   0.52179
     Eigenvalues ---    0.52302   0.52551   0.52843   0.53013   0.54017
     Eigenvalues ---    0.54089   0.54112   0.54199   0.54200   0.54205
     Eigenvalues ---    0.54383   0.54563   0.55102   0.55213   0.55315
     Eigenvalues ---    0.55344   0.55361   0.55367   0.55387   0.55412
     Eigenvalues ---    0.55496   0.55520   0.55575   0.55603   0.55698
     Eigenvalues ---    0.55704   0.55755   0.55820   0.55939   0.55947
     Eigenvalues ---    0.56020   0.56147   0.56152   0.56154   0.56254
     Eigenvalues ---    0.56270   0.56309   0.56366   0.56644   0.56662
     Eigenvalues ---    0.56664   0.56670   0.56672   0.56681   0.56889
     Eigenvalues ---    0.56904   0.56915   0.56967   0.57173   0.57177
     Eigenvalues ---    0.57189   0.57195   0.57203   0.57228   0.57612
     Eigenvalues ---    0.61911   0.63306   0.66054   0.66060   0.67645
     Eigenvalues ---    0.67658   0.67660   0.69209   0.70040   0.70093
     Eigenvalues ---    0.73395   0.76930   0.80120
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    13   12   11   10    9
 RFO step:  Lambda=-5.97360556D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    1.65781   -0.52562    0.22245   -0.42925    0.07460
 Iteration  1 RMS(Cart)=  0.08371754 RMS(Int)=  0.00095009
 Iteration  2 RMS(Cart)=  0.00262988 RMS(Int)=  0.00007715
 Iteration  3 RMS(Cart)=  0.00000286 RMS(Int)=  0.00007714
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00007714
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64292  -0.00023  -0.00019  -0.00034  -0.00053   2.64239
    R2        2.66180   0.00018  -0.00142   0.00075  -0.00067   2.66112
    R3        2.80447  -0.00052   0.00159  -0.00117   0.00042   2.80489
    R4        2.65103  -0.00012   0.00046  -0.00052  -0.00006   2.65097
    R5        2.04642   0.00036  -0.00037   0.00105   0.00068   2.04710
    R6        2.66481   0.00018  -0.00163   0.00114  -0.00052   2.66429
    R7        2.77988  -0.00000   0.00207  -0.00085   0.00120   2.78108
    R8        2.64844   0.00018   0.00058   0.00000   0.00058   2.64903
    R9        2.77283   0.00015   0.00031   0.00085   0.00116   2.77399
   R10        2.61615  -0.00004  -0.00026   0.00033   0.00007   2.61621
   R11        2.04721   0.00001   0.00012  -0.00005   0.00007   2.04728
   R12        2.05055   0.00013   0.00010   0.00035   0.00046   2.05101
   R13        2.69048  -0.00029   0.00022  -0.00125  -0.00103   2.68946
   R14        2.64641  -0.00025   0.00079  -0.00069   0.00010   2.64651
   R15        2.75675   0.00146   0.00480   0.00141   0.00624   2.76299
   R16        2.66130  -0.00004  -0.00116  -0.00038  -0.00154   2.65976
   R17        2.77495   0.00060   0.00033   0.00242   0.00285   2.77779
   R18        2.62191   0.00048   0.00347  -0.00090   0.00255   2.62446
   R19        4.81224  -0.00065  -0.08887  -0.01487  -0.10369   4.70855
   R20        2.45868  -0.00038  -0.00361   0.00094  -0.00270   2.45598
   R21        2.64544  -0.00012  -0.00104   0.00031  -0.00074   2.64470
   R22        2.04551   0.00016   0.00026   0.00056   0.00082   2.04633
   R23        2.65815  -0.00010  -0.00275   0.00073  -0.00203   2.65612
   R24        2.79757   0.00039  -0.00107   0.00071  -0.00036   2.79721
   R25        2.61162   0.00028   0.00080   0.00071   0.00151   2.61313
   R26        2.04930   0.00008   0.00060   0.00017   0.00077   2.05007
   R27        2.04306  -0.00022  -0.00056   0.00050  -0.00006   2.04300
   R28        2.68358   0.00026   0.00311  -0.00193   0.00122   2.68480
   R29        3.38914   0.00029  -0.00017  -0.00329  -0.00336   3.38578
   R30        5.89833  -0.00081  -0.08167  -0.00064  -0.08253   5.81580
   R31        2.67810   0.00002   0.00137  -0.00109   0.00022   2.67833
   R32        2.65552   0.00016   0.00185  -0.00121   0.00064   2.65617
   R33        2.59303   0.00032  -0.00065   0.00106   0.00030   2.59334
   R34        2.65901  -0.00010   0.00008  -0.00019  -0.00011   2.65890
   R35        2.61825   0.00007   0.00013   0.00018   0.00031   2.61856
   R36        2.03925  -0.00018  -0.00255   0.00191  -0.00065   2.03861
   R37        2.66896  -0.00020  -0.00192   0.00036  -0.00157   2.66739
   R38        2.05040   0.00008   0.00047   0.00013   0.00061   2.05100
   R39        2.62786   0.00003  -0.00188   0.00125  -0.00064   2.62722
   R40        2.80226  -0.00003   0.00011  -0.00031  -0.00020   2.80206
   R41        2.04860   0.00010   0.00029   0.00017   0.00046   2.04906
   R42        2.65593  -0.00002  -0.00058   0.00007  -0.00052   2.65542
   R43        2.65577  -0.00004  -0.00081   0.00015  -0.00066   2.65510
   R44        2.65704  -0.00002  -0.00085   0.00005  -0.00080   2.65624
   R45        2.65703   0.00010  -0.00132   0.00034  -0.00098   2.65605
   R46        2.65554   0.00001  -0.00070   0.00017  -0.00053   2.65500
   R47        2.65564   0.00012  -0.00106   0.00040  -0.00066   2.65498
   R48        2.62813  -0.00004   0.00015   0.00002   0.00017   2.62830
   R49        2.05063   0.00009   0.00065   0.00012   0.00077   2.05140
   R50        2.64732   0.00015  -0.00019   0.00050   0.00031   2.64763
   R51        2.04966   0.00007   0.00021  -0.00002   0.00018   2.04985
   R52        2.64722   0.00009  -0.00059   0.00052  -0.00007   2.64716
   R53        2.67873  -0.00028   0.00109  -0.00049   0.00060   2.67934
   R54        2.62828  -0.00005   0.00050  -0.00006   0.00044   2.62872
   R55        2.04962   0.00007   0.00024  -0.00004   0.00019   2.04981
   R56        2.05087   0.00003   0.00052   0.00006   0.00058   2.05145
   R57        2.62961  -0.00009   0.00006  -0.00006   0.00000   2.62962
   R58        2.05078   0.00011   0.00028   0.00018   0.00046   2.05124
   R59        2.64582   0.00020  -0.00050   0.00064   0.00014   2.64596
   R60        2.04994   0.00007   0.00023  -0.00003   0.00020   2.05014
   R61        2.64571   0.00028  -0.00082   0.00084   0.00002   2.64573
   R62        2.68299  -0.00045   0.00106  -0.00076   0.00031   2.68329
   R63        2.62945  -0.00007   0.00033  -0.00011   0.00022   2.62967
   R64        2.04996   0.00008   0.00022  -0.00001   0.00021   2.05016
   R65        2.05103   0.00016   0.00021   0.00030   0.00050   2.05153
   R66        2.62950  -0.00007   0.00005  -0.00007  -0.00001   2.62949
   R67        2.05111   0.00009   0.00040   0.00015   0.00055   2.05166
   R68        2.64608   0.00016  -0.00025   0.00053   0.00028   2.64636
   R69        2.04984   0.00007   0.00022  -0.00002   0.00020   2.05004
   R70        2.64648   0.00018  -0.00075   0.00068  -0.00007   2.64641
   R71        2.68121  -0.00036   0.00093  -0.00062   0.00031   2.68153
   R72        2.62898  -0.00005   0.00047  -0.00011   0.00036   2.62934
   R73        2.04978   0.00009   0.00025  -0.00002   0.00023   2.05000
   R74        2.05095   0.00005   0.00033   0.00010   0.00043   2.05138
   R75        2.64700  -0.00031   0.00177  -0.00117   0.00059   2.64759
   R76        2.64692  -0.00029   0.00188  -0.00118   0.00069   2.64761
   R77        2.64932  -0.00029   0.00187  -0.00119   0.00067   2.64999
   R78        2.64940  -0.00029   0.00181  -0.00116   0.00066   2.65006
   R79        2.64818  -0.00031   0.00187  -0.00119   0.00068   2.64886
   R80        2.64781  -0.00030   0.00188  -0.00118   0.00070   2.64851
   R81        2.67905   0.00010  -0.00101   0.00068  -0.00034   2.67871
   R82        2.64053   0.00011  -0.00069   0.00057  -0.00012   2.64041
   R83        2.73686  -0.00005  -0.00002  -0.00014  -0.00016   2.73670
   R84        2.64440   0.00013  -0.00050   0.00048  -0.00001   2.64438
   R85        2.67900   0.00008  -0.00101   0.00064  -0.00037   2.67863
   R86        2.64441   0.00014  -0.00051   0.00051  -0.00000   2.64440
   R87        2.64048   0.00011  -0.00071   0.00058  -0.00013   2.64036
   R88        2.67968   0.00009  -0.00102   0.00065  -0.00037   2.67931
   R89        2.64062   0.00009  -0.00079   0.00057  -0.00022   2.64040
   R90        2.73666  -0.00002   0.00004  -0.00009  -0.00005   2.73661
   R91        2.64467   0.00013  -0.00056   0.00052  -0.00004   2.64463
   R92        2.67979   0.00008  -0.00107   0.00065  -0.00042   2.67936
   R93        2.64461   0.00014  -0.00052   0.00051  -0.00001   2.64460
   R94        2.64059   0.00009  -0.00078   0.00056  -0.00023   2.64036
   R95        2.67935   0.00009  -0.00105   0.00065  -0.00041   2.67894
   R96        2.64055   0.00009  -0.00076   0.00057  -0.00019   2.64036
   R97        2.73677  -0.00004   0.00002  -0.00012  -0.00010   2.73667
   R98        2.64458   0.00013  -0.00053   0.00050  -0.00003   2.64454
   R99        2.67948   0.00009  -0.00105   0.00066  -0.00039   2.67909
   R100       2.64452   0.00014  -0.00052   0.00050  -0.00002   2.64450
   R101       2.64056   0.00009  -0.00075   0.00056  -0.00019   2.64037
   R102       2.62982   0.00000   0.00017  -0.00007   0.00010   2.62992
   R103       2.05270  -0.00001   0.00004  -0.00000   0.00003   2.05273
   R104       2.65462   0.00018  -0.00074   0.00051  -0.00022   2.65439
   R105       2.05132   0.00002  -0.00015   0.00019   0.00004   2.05136
   R106       2.63318  -0.00011   0.00057  -0.00041   0.00016   2.63334
   R107       2.05223   0.00000   0.00005   0.00001   0.00006   2.05230
   R108       2.04871   0.00007   0.00011   0.00003   0.00014   2.04885
   R109       2.63319  -0.00010   0.00059  -0.00041   0.00018   2.63337
   R110       2.04874   0.00006   0.00011   0.00001   0.00012   2.04885
   R111       2.65461   0.00018  -0.00076   0.00052  -0.00023   2.65438
   R112       2.05228  -0.00000   0.00006   0.00001   0.00007   2.05235
   R113       2.62983   0.00000   0.00016  -0.00006   0.00010   2.62993
   R114       2.05136   0.00002  -0.00015   0.00020   0.00004   2.05140
   R115       2.05270  -0.00001   0.00004  -0.00000   0.00004   2.05274
   R116       2.62985   0.00001   0.00020  -0.00006   0.00014   2.62999
   R117       2.05282  -0.00001   0.00003  -0.00001   0.00002   2.05284
   R118       2.65505   0.00018  -0.00075   0.00052  -0.00023   2.65483
   R119       2.05143   0.00002  -0.00016   0.00020   0.00003   2.05147
   R120       2.63294  -0.00010   0.00057  -0.00039   0.00018   2.63312
   R121       2.05236  -0.00000   0.00005  -0.00000   0.00005   2.05241
   R122       2.04892   0.00006   0.00015   0.00001   0.00016   2.04909
   R123       2.63293  -0.00010   0.00058  -0.00039   0.00019   2.63312
   R124       2.04893   0.00007   0.00019  -0.00001   0.00018   2.04910
   R125       2.65510   0.00018  -0.00075   0.00051  -0.00023   2.65487
   R126       2.05233  -0.00000   0.00005   0.00001   0.00006   2.05239
   R127       2.62983   0.00001   0.00023  -0.00007   0.00016   2.62999
   R128       2.05143   0.00002  -0.00017   0.00020   0.00003   2.05146
   R129       2.05281  -0.00001   0.00003  -0.00001   0.00002   2.05283
   R130       2.62986   0.00001   0.00019  -0.00006   0.00014   2.62999
   R131       2.05275  -0.00001   0.00003  -0.00001   0.00003   2.05278
   R132       2.65483   0.00018  -0.00077   0.00053  -0.00024   2.65460
   R133       2.05138   0.00003  -0.00016   0.00020   0.00004   2.05142
   R134       2.63308  -0.00010   0.00059  -0.00040   0.00019   2.63327
   R135       2.05234   0.00000   0.00006   0.00000   0.00006   2.05240
   R136       2.04889   0.00006   0.00012   0.00001   0.00013   2.04902
   R137       2.63304  -0.00011   0.00059  -0.00040   0.00019   2.63323
   R138       2.04886   0.00007   0.00016   0.00001   0.00017   2.04903
   R139       2.65490   0.00019  -0.00075   0.00052  -0.00022   2.65467
   R140       2.05227  -0.00000   0.00005   0.00001   0.00006   2.05233
   R141       2.62977   0.00002   0.00018  -0.00004   0.00014   2.62991
   R142       2.05137   0.00002  -0.00016   0.00019   0.00003   2.05141
   R143       2.05275  -0.00001   0.00003  -0.00000   0.00003   2.05278
   R144       2.77937   0.00042  -0.00128   0.00154   0.00027   2.77964
   R145       3.00925  -0.00007   0.00093   0.00072   0.00156   3.01082
   R146       3.04533   0.00004   0.00048  -0.00099  -0.00051   3.04482
   R147       2.78494  -0.00052   0.00279  -0.00255   0.00039   2.78534
   R148       2.75937  -0.00004   0.00113  -0.00111   0.00002   2.75939
   R149       2.85918   0.00010   0.00028  -0.00000   0.00028   2.85946
   R150       2.06072   0.00012  -0.00011   0.00057   0.00055   2.06127
   R151       2.06059   0.00025  -0.00036   0.00083   0.00045   2.06105
   R152       2.06829   0.00003   0.00003   0.00016   0.00019   2.06848
   R153       2.06701  -0.00001  -0.00027   0.00012  -0.00016   2.06685
   R154       2.06692  -0.00000  -0.00023   0.00016  -0.00007   2.06685
   R155       2.86285   0.00005  -0.00039   0.00029  -0.00010   2.86275
   R156       2.06892   0.00004  -0.00004   0.00014   0.00010   2.06902
   R157       2.06705  -0.00002   0.00030  -0.00014   0.00016   2.06721
   R158       2.06615   0.00003  -0.00017   0.00021   0.00004   2.06619
   R159       2.06813  -0.00001  -0.00022   0.00016  -0.00005   2.06807
   R160       2.06602   0.00004  -0.00027   0.00027  -0.00000   2.06602
   R161       5.44924   0.00000   0.03731   0.00295   0.04062   5.48985
   R162       5.78460   0.00015   0.04395   0.00669   0.05042   5.83501
    A1        2.06370   0.00004   0.00434  -0.00164   0.00271   2.06640
    A2        2.10959  -0.00007  -0.00248   0.00085  -0.00164   2.10795
    A3        2.10990   0.00003  -0.00185   0.00079  -0.00106   2.10883
    A4        2.12891   0.00015  -0.00356   0.00169  -0.00188   2.12704
    A5        2.06692  -0.00018   0.00017  -0.00095  -0.00080   2.06612
    A6        2.08664   0.00003   0.00371  -0.00098   0.00271   2.08935
    A7        2.06871  -0.00005   0.00018  -0.00003   0.00018   2.06889
    A8        2.14085   0.00001   0.00045   0.00025   0.00070   2.14156
    A9        2.07158   0.00004  -0.00074  -0.00024  -0.00100   2.07058
   A10        2.09153  -0.00011   0.00252  -0.00149   0.00101   2.09255
   A11        2.10061   0.00024  -0.00172   0.00115  -0.00056   2.10005
   A12        2.09052  -0.00013  -0.00096   0.00040  -0.00059   2.08993
   A13        2.10496   0.00010  -0.00173   0.00104  -0.00068   2.10428
   A14        2.06543   0.00008  -0.00259   0.00175  -0.00085   2.06458
   A15        2.11256  -0.00018   0.00432  -0.00276   0.00155   2.11411
   A16        2.10718  -0.00014  -0.00154   0.00026  -0.00129   2.10590
   A17        2.08752   0.00019  -0.00382   0.00225  -0.00159   2.08593
   A18        2.08848  -0.00006   0.00541  -0.00252   0.00288   2.09136
   A19        2.09888  -0.00002   0.00136  -0.00159  -0.00025   2.09863
   A20        2.11225  -0.00017  -0.00189   0.00146  -0.00045   2.11179
   A21        2.06785   0.00017   0.00074  -0.00040   0.00038   2.06823
   A22        2.08123   0.00016  -0.00491   0.00282  -0.00206   2.07917
   A23        2.06727  -0.00023   0.00068   0.00041   0.00109   2.06836
   A24        2.12771   0.00008   0.00370  -0.00283   0.00082   2.12853
   A25        2.03154  -0.00053  -0.00209  -0.00418  -0.00655   2.02499
   A26        2.11914   0.00039  -0.00307  -0.00140  -0.00443   2.11471
   A27        1.81096   0.00001  -0.00062   0.00187   0.00150   1.81246
   A28        2.05579  -0.00004  -0.00074  -0.00041  -0.00134   2.05445
   A29        1.49399   0.00062   0.01789   0.00616   0.02406   1.51805
   A30        2.05626  -0.00014  -0.00167  -0.00096  -0.00278   2.05348
   A31        2.07538   0.00008   0.00073   0.00082   0.00123   2.07661
   A32        2.15133   0.00006   0.00096   0.00026   0.00116   2.15249
   A33        2.14184   0.00015  -0.00352   0.00110  -0.00240   2.13944
   A34        2.07541   0.00008   0.00410  -0.00004   0.00406   2.07946
   A35        2.06368  -0.00024  -0.00046  -0.00134  -0.00180   2.06188
   A36        2.05544  -0.00013   0.00386  -0.00100   0.00287   2.05830
   A37        2.10944  -0.00001  -0.00212   0.00021  -0.00191   2.10753
   A38        2.11759   0.00013  -0.00180   0.00080  -0.00100   2.11658
   A39        2.10618  -0.00011  -0.00107  -0.00025  -0.00131   2.10487
   A40        2.09456   0.00021  -0.00521   0.00262  -0.00260   2.09196
   A41        2.08230  -0.00010   0.00631  -0.00240   0.00390   2.08620
   A42        2.12198   0.00013  -0.00096   0.00007  -0.00088   2.12110
   A43        2.09148   0.00018  -0.00040   0.00124   0.00081   2.09229
   A44        2.06882  -0.00031   0.00109  -0.00104   0.00002   2.06884
   A45        2.07463  -0.00015   0.00107  -0.00001   0.00099   2.07562
   A46        2.07796   0.00004  -0.00219   0.00157  -0.00060   2.07736
   A47        2.06890   0.00005   0.00677  -0.00408   0.00230   2.07120
   A48        1.95244   0.00023   0.00916   0.00365   0.01265   1.96509
   A49        1.52895  -0.00038   0.00709  -0.00177   0.00522   1.53416
   A50        2.06799   0.00001  -0.00282   0.00236  -0.00039   2.06760
   A51        2.14912   0.00033   0.00588  -0.00403   0.00177   2.15089
   A52        2.06465  -0.00034  -0.00273   0.00147  -0.00129   2.06337
   A53        2.13870   0.00016   0.00138  -0.00099   0.00033   2.13903
   A54        2.09410   0.00010   0.00253  -0.00151   0.00106   2.09516
   A55        2.05037  -0.00026  -0.00386   0.00248  -0.00139   2.04899
   A56        2.07272  -0.00003   0.00128  -0.00048   0.00080   2.07351
   A57        2.10200   0.00025   0.00026   0.00036   0.00064   2.10264
   A58        2.10298  -0.00000   0.00138  -0.00066   0.00070   2.10368
   A59        2.07812  -0.00025  -0.00169   0.00035  -0.00136   2.07676
   A60        2.13303  -0.00007   0.00016  -0.00088  -0.00072   2.13230
   A61        2.06562  -0.00005   0.00443  -0.00176   0.00268   2.06830
   A62        2.08444   0.00012  -0.00455   0.00260  -0.00195   2.08250
   A63        2.04497  -0.00009   0.00181  -0.00039   0.00141   2.04638
   A64        2.11691   0.00003  -0.00151   0.00039  -0.00111   2.11581
   A65        2.12129   0.00006  -0.00030  -0.00000  -0.00030   2.12099
   A66        2.12735   0.00014  -0.00205   0.00096  -0.00110   2.12625
   A67        2.03207  -0.00008   0.00383  -0.00138   0.00245   2.03452
   A68        2.12350  -0.00005  -0.00169   0.00035  -0.00134   2.12216
   A69        2.11142  -0.00008  -0.00155   0.00027  -0.00128   2.11014
   A70        2.11617  -0.00003  -0.00246   0.00096  -0.00150   2.11467
   A71        2.05560   0.00011   0.00401  -0.00123   0.00278   2.05838
   A72        2.11770   0.00002  -0.00192   0.00067  -0.00126   2.11644
   A73        2.11071   0.00005  -0.00355   0.00102  -0.00253   2.10818
   A74        2.05477  -0.00008   0.00548  -0.00169   0.00379   2.05856
   A75        2.11596  -0.00011  -0.00197   0.00026  -0.00172   2.11425
   A76        2.11130   0.00015  -0.00240   0.00128  -0.00112   2.11018
   A77        2.05592  -0.00005   0.00437  -0.00153   0.00284   2.05876
   A78        2.11755   0.00002  -0.00262   0.00058  -0.00204   2.11551
   A79        2.08780   0.00015  -0.00465   0.00203  -0.00262   2.08519
   A80        2.07694  -0.00017   0.00726  -0.00267   0.00460   2.08154
   A81        2.09786   0.00012  -0.00279   0.00180  -0.00099   2.09687
   A82        2.10091  -0.00015   0.00426  -0.00254   0.00172   2.10263
   A83        2.08419   0.00003  -0.00152   0.00076  -0.00077   2.08342
   A84        2.08064  -0.00021   0.00528  -0.00306   0.00222   2.08286
   A85        2.10083   0.00015  -0.00274   0.00169  -0.00105   2.09978
   A86        2.10171   0.00006  -0.00254   0.00136  -0.00117   2.10054
   A87        2.09763   0.00010  -0.00278   0.00171  -0.00107   2.09657
   A88        2.08458   0.00004  -0.00136   0.00075  -0.00062   2.08396
   A89        2.10071  -0.00014   0.00412  -0.00245   0.00167   2.10238
   A90        2.11774   0.00004  -0.00258   0.00063  -0.00195   2.11579
   A91        2.08531   0.00012  -0.00448   0.00181  -0.00267   2.08264
   A92        2.07916  -0.00017   0.00725  -0.00257   0.00468   2.08384
   A93        2.11690  -0.00003  -0.00184   0.00043  -0.00141   2.11549
   A94        2.08518   0.00011  -0.00274   0.00147  -0.00129   2.08389
   A95        2.08034  -0.00008   0.00478  -0.00206   0.00271   2.08305
   A96        2.09726   0.00009  -0.00263   0.00173  -0.00090   2.09637
   A97        2.10158  -0.00015   0.00394  -0.00248   0.00145   2.10302
   A98        2.08414   0.00006  -0.00133   0.00076  -0.00057   2.08357
   A99        2.08214  -0.00021   0.00491  -0.00307   0.00184   2.08398
   A100       2.10124   0.00005  -0.00258   0.00144  -0.00114   2.10010
   A101       2.09981   0.00015  -0.00233   0.00163  -0.00070   2.09911
   A102       2.09662   0.00011  -0.00271   0.00184  -0.00087   2.09575
   A103       2.08388   0.00006  -0.00117   0.00070  -0.00047   2.08341
   A104       2.10248  -0.00016   0.00387  -0.00254   0.00133   2.10381
   A105       2.11769  -0.00007  -0.00175   0.00029  -0.00147   2.11622
   A106       2.08562   0.00009  -0.00271   0.00137  -0.00135   2.08427
   A107       2.07921  -0.00002   0.00472  -0.00184   0.00287   2.08208
   A108       2.11710   0.00003  -0.00205   0.00060  -0.00144   2.11565
   A109       2.08837   0.00007  -0.00336   0.00129  -0.00207   2.08630
   A110       2.07693  -0.00010   0.00551  -0.00199   0.00351   2.08045
   A111       2.09740   0.00011  -0.00258   0.00167  -0.00091   2.09649
   A112       2.10144  -0.00015   0.00400  -0.00244   0.00155   2.10300
   A113       2.08413   0.00004  -0.00146   0.00079  -0.00067   2.08346
   A114       2.08119  -0.00020   0.00486  -0.00295   0.00191   2.08310
   A115       2.10071   0.00010  -0.00262   0.00157  -0.00105   2.09966
   A116       2.10129   0.00010  -0.00225   0.00139  -0.00086   2.10043
   A117       2.09759   0.00010  -0.00273   0.00177  -0.00096   2.09663
   A118       2.08444   0.00003  -0.00119   0.00061  -0.00058   2.08386
   A119       2.10093  -0.00014   0.00389  -0.00236   0.00153   2.10246
   A120       2.11704   0.00000  -0.00189   0.00044  -0.00145   2.11558
   A121       2.08579   0.00011  -0.00333   0.00151  -0.00182   2.08396
   A122       2.07967  -0.00011   0.00537  -0.00205   0.00332   2.08299
   A123       2.19595  -0.00007   0.00033  -0.00021   0.00012   2.19607
   A124       2.19626  -0.00007   0.00010  -0.00005   0.00005   2.19631
   A125       1.89096   0.00014  -0.00043   0.00027  -0.00017   1.89079
   A126       2.19626  -0.00001   0.00018   0.00010   0.00028   2.19654
   A127       2.19642  -0.00012   0.00040  -0.00038   0.00003   2.19645
   A128       1.89050   0.00012  -0.00058   0.00028  -0.00031   1.89020
   A129       2.19618  -0.00009   0.00040  -0.00029   0.00011   2.19628
   A130       2.19614  -0.00003   0.00011   0.00003   0.00014   2.19628
   A131       1.89087   0.00012  -0.00051   0.00026  -0.00025   1.89062
   A132       1.90118  -0.00001  -0.00025   0.00019  -0.00006   1.90113
   A133       2.25921   0.00011  -0.00194   0.00151  -0.00043   2.25878
   A134       2.12228  -0.00010   0.00210  -0.00168   0.00043   2.12272
   A135       1.86596  -0.00005   0.00054  -0.00033   0.00021   1.86617
   A136       2.08602   0.00005  -0.00115   0.00088  -0.00027   2.08574
   A137       2.33116   0.00001   0.00064  -0.00057   0.00008   2.33124
   A138       1.86591  -0.00006   0.00051  -0.00034   0.00017   1.86608
   A139       2.33120   0.00002   0.00067  -0.00054   0.00013   2.33133
   A140       2.08603   0.00004  -0.00114   0.00086  -0.00029   2.08575
   A141       1.90122  -0.00000  -0.00022   0.00020  -0.00001   1.90120
   A142       2.25929   0.00009  -0.00196   0.00143  -0.00051   2.25878
   A143       2.12219  -0.00009   0.00209  -0.00161   0.00048   2.12267
   A144       1.90167  -0.00001  -0.00034   0.00021  -0.00012   1.90155
   A145       2.25831   0.00008  -0.00201   0.00138  -0.00062   2.25769
   A146       2.12281  -0.00006   0.00226  -0.00157   0.00070   2.12351
   A147       1.86524  -0.00005   0.00056  -0.00035   0.00021   1.86545
   A148       2.08546   0.00002  -0.00124   0.00082  -0.00043   2.08503
   A149       2.33246   0.00003   0.00072  -0.00048   0.00023   2.33268
   A150       1.86531  -0.00006   0.00055  -0.00035   0.00020   1.86551
   A151       2.33237   0.00004   0.00074  -0.00049   0.00025   2.33262
   A152       2.08547   0.00003  -0.00126   0.00083  -0.00044   2.08503
   A153       1.90160  -0.00001  -0.00034   0.00021  -0.00012   1.90147
   A154       2.25844   0.00007  -0.00206   0.00140  -0.00065   2.25779
   A155       2.12275  -0.00006   0.00231  -0.00158   0.00074   2.12349
   A156       1.90133   0.00000  -0.00031   0.00023  -0.00008   1.90126
   A157       2.25875   0.00007  -0.00201   0.00139  -0.00062   2.25814
   A158       2.12268  -0.00007   0.00223  -0.00159   0.00064   2.12332
   A159       1.86561  -0.00006   0.00057  -0.00036   0.00021   1.86582
   A160       2.08571   0.00003  -0.00119   0.00083  -0.00036   2.08535
   A161       2.33183   0.00003   0.00066  -0.00049   0.00016   2.33200
   A162       1.86557  -0.00006   0.00054  -0.00034   0.00021   1.86577
   A163       2.33191   0.00003   0.00069  -0.00053   0.00016   2.33207
   A164       2.08567   0.00003  -0.00120   0.00085  -0.00036   2.08531
   A165       1.90140  -0.00000  -0.00030   0.00021  -0.00009   1.90131
   A166       2.25883   0.00008  -0.00200   0.00143  -0.00055   2.25828
   A167       2.12253  -0.00008   0.00221  -0.00162   0.00060   2.12312
   A168       2.07984  -0.00004   0.00013  -0.00015  -0.00001   2.07983
   A169       2.09979   0.00008  -0.00106   0.00098  -0.00008   2.09971
   A170       2.10354  -0.00004   0.00092  -0.00083   0.00009   2.10363
   A171       2.10414   0.00002   0.00019  -0.00006   0.00013   2.10427
   A172       2.09211  -0.00004   0.00022  -0.00031  -0.00010   2.09202
   A173       2.08692   0.00002  -0.00041   0.00037  -0.00004   2.08689
   A174       2.11977  -0.00003   0.00020  -0.00029  -0.00009   2.11969
   A175       2.08537  -0.00002   0.00059  -0.00042   0.00017   2.08553
   A176       2.07805   0.00005  -0.00079   0.00071  -0.00008   2.07797
   A177       2.05421   0.00009  -0.00154   0.00128  -0.00027   2.05394
   A178       2.11749   0.00002  -0.00098   0.00059  -0.00039   2.11711
   A179       2.11145  -0.00011   0.00251  -0.00186   0.00065   2.11210
   A180       2.05405   0.00010  -0.00158   0.00134  -0.00025   2.05381
   A181       2.11757   0.00001  -0.00097   0.00056  -0.00041   2.11716
   A182       2.11152  -0.00011   0.00254  -0.00188   0.00066   2.11218
   A183       2.11989  -0.00003   0.00024  -0.00031  -0.00007   2.11982
   A184       2.07786   0.00005  -0.00083   0.00075  -0.00008   2.07778
   A185       2.08543  -0.00002   0.00060  -0.00044   0.00016   2.08558
   A186       2.10411   0.00002   0.00018  -0.00007   0.00011   2.10422
   A187       2.08703   0.00002  -0.00039   0.00038  -0.00001   2.08702
   A188       2.09203  -0.00004   0.00021  -0.00031  -0.00009   2.09193
   A189       2.07983  -0.00003   0.00014  -0.00013   0.00001   2.07983
   A190       2.09977   0.00008  -0.00107   0.00098  -0.00009   2.09967
   A191       2.10358  -0.00004   0.00093  -0.00085   0.00008   2.10366
   A192       2.07995  -0.00004   0.00012  -0.00015  -0.00003   2.07992
   A193       2.09975   0.00008  -0.00108   0.00103  -0.00004   2.09970
   A194       2.10348  -0.00005   0.00096  -0.00088   0.00007   2.10355
   A195       2.10428   0.00003   0.00025  -0.00003   0.00022   2.10450
   A196       2.09198  -0.00004   0.00018  -0.00032  -0.00014   2.09184
   A197       2.08692   0.00002  -0.00043   0.00035  -0.00008   2.08684
   A198       2.11988  -0.00004   0.00020  -0.00033  -0.00013   2.11975
   A199       2.08528  -0.00002   0.00061  -0.00044   0.00017   2.08545
   A200       2.07803   0.00006  -0.00081   0.00077  -0.00004   2.07798
   A201       2.05390   0.00009  -0.00168   0.00129  -0.00039   2.05351
   A202       2.11648   0.00001  -0.00098   0.00059  -0.00039   2.11609
   A203       2.11279  -0.00010   0.00265  -0.00187   0.00078   2.11357
   A204       2.05387   0.00008  -0.00164   0.00127  -0.00037   2.05351
   A205       2.11655   0.00001  -0.00097   0.00053  -0.00044   2.11612
   A206       2.11272  -0.00009   0.00260  -0.00179   0.00081   2.11353
   A207       2.11984  -0.00003   0.00019  -0.00032  -0.00013   2.11971
   A208       2.07811   0.00005  -0.00077   0.00074  -0.00003   2.07808
   A209       2.08523  -0.00002   0.00058  -0.00042   0.00016   2.08539
   A210       2.10432   0.00003   0.00024  -0.00002   0.00021   2.10453
   A211       2.08683   0.00002  -0.00043   0.00037  -0.00006   2.08676
   A212       2.09202  -0.00004   0.00020  -0.00034  -0.00014   2.09188
   A213       2.07991  -0.00004   0.00012  -0.00014  -0.00002   2.07989
   A214       2.09980   0.00008  -0.00104   0.00099  -0.00005   2.09975
   A215       2.10346  -0.00004   0.00091  -0.00085   0.00006   2.10353
   A216       2.07995  -0.00004   0.00013  -0.00014  -0.00002   2.07993
   A217       2.09977   0.00008  -0.00104   0.00099  -0.00005   2.09971
   A218       2.10346  -0.00004   0.00092  -0.00085   0.00007   2.10353
   A219       2.10421   0.00002   0.00022  -0.00004   0.00017   2.10438
   A220       2.09199  -0.00004   0.00019  -0.00031  -0.00012   2.09187
   A221       2.08697   0.00002  -0.00040   0.00035  -0.00005   2.08692
   A222       2.11982  -0.00003   0.00022  -0.00033  -0.00011   2.11971
   A223       2.08528  -0.00002   0.00062  -0.00044   0.00018   2.08546
   A224       2.07808   0.00005  -0.00083   0.00076  -0.00007   2.07801
   A225       2.05403   0.00009  -0.00163   0.00131  -0.00032   2.05372
   A226       2.11687   0.00000  -0.00096   0.00055  -0.00041   2.11646
   A227       2.11225  -0.00010   0.00258  -0.00185   0.00073   2.11298
   A228       2.05384   0.00009  -0.00166   0.00129  -0.00037   2.05347
   A229       2.11732   0.00000  -0.00086   0.00049  -0.00037   2.11695
   A230       2.11200  -0.00009   0.00251  -0.00178   0.00074   2.11274
   A231       2.11991  -0.00003   0.00023  -0.00032  -0.00010   2.11981
   A232       2.07793   0.00005  -0.00087   0.00078  -0.00009   2.07784
   A233       2.08535  -0.00002   0.00064  -0.00046   0.00019   2.08553
   A234       2.10427   0.00002   0.00023  -0.00004   0.00019   2.10445
   A235       2.08689   0.00002  -0.00042   0.00036  -0.00006   2.08683
   A236       2.09201  -0.00004   0.00020  -0.00032  -0.00012   2.09189
   A237       2.07981  -0.00004   0.00010  -0.00014  -0.00004   2.07977
   A238       2.09982   0.00008  -0.00107   0.00100  -0.00007   2.09975
   A239       2.10355  -0.00004   0.00097  -0.00086   0.00011   2.10365
   A240       2.02190  -0.00004   0.00315  -0.00112   0.00236   2.02426
   A241       1.82360   0.00033  -0.00064   0.00145   0.00045   1.82406
   A242       1.70396   0.00058  -0.00197   0.00171  -0.00046   1.70349
   A243       2.05352  -0.00027  -0.00640   0.00215  -0.00434   2.04918
   A244       2.03438  -0.00022   0.00085   0.00012   0.00097   2.03535
   A245       1.77736  -0.00022   0.00589  -0.00462   0.00158   1.77894
   A246       2.13161  -0.00008  -0.00432   0.00055  -0.00429   2.12732
   A247       2.06131  -0.00017   0.00421  -0.00266   0.00155   2.06286
   A248       1.87167   0.00025  -0.00027   0.00085   0.00049   1.87216
   A249       1.87096  -0.00008   0.00099  -0.00201  -0.00096   1.86999
   A250       1.88988  -0.00001  -0.00071   0.00187   0.00125   1.89113
   A251       1.97359  -0.00021   0.00025  -0.00131  -0.00079   1.97280
   A252       1.97562  -0.00035   0.00004  -0.00140  -0.00141   1.97420
   A253       1.87791   0.00040  -0.00030   0.00205   0.00150   1.87941
   A254       1.90353   0.00021  -0.00066   0.00177   0.00110   1.90463
   A255       1.94147  -0.00007   0.00035  -0.00081  -0.00045   1.94101
   A256       1.94022  -0.00006  -0.00056  -0.00009  -0.00065   1.93957
   A257       1.89049  -0.00006   0.00039  -0.00038   0.00001   1.89050
   A258       1.88971  -0.00006  -0.00010  -0.00017  -0.00027   1.88943
   A259       1.89708   0.00003   0.00059  -0.00031   0.00028   1.89735
   A260       1.88060   0.00010  -0.00016   0.00029   0.00013   1.88073
   A261       1.89121  -0.00005  -0.00107  -0.00005  -0.00112   1.89009
   A262       1.89275   0.00000  -0.00005   0.00018   0.00013   1.89289
   A263       1.94797  -0.00006   0.00163  -0.00107   0.00055   1.94853
   A264       1.95315  -0.00007   0.00097  -0.00082   0.00015   1.95330
   A265       1.89643   0.00008  -0.00141   0.00150   0.00009   1.89652
   A266       1.93745   0.00004  -0.00058   0.00039  -0.00018   1.93727
   A267       1.91257   0.00004  -0.00060   0.00058  -0.00002   1.91255
   A268       1.93485   0.00002  -0.00013   0.00018   0.00005   1.93490
   A269       1.89178  -0.00004   0.00052  -0.00044   0.00008   1.89186
   A270       1.89384  -0.00003   0.00022  -0.00023  -0.00001   1.89382
   A271       1.89223  -0.00003   0.00062  -0.00053   0.00009   1.89233
   A272       1.91434  -0.00030  -0.00281  -0.00157  -0.00500   1.90934
   A273       1.73079  -0.00037  -0.00584  -0.00337  -0.00940   1.72139
   A274       1.61791   0.00048   0.02483   0.00348   0.02813   1.64604
   A275       1.73227   0.00049   0.00966   0.00161   0.01123   1.74350
   A276       1.17385   0.00032   0.01632   0.00445   0.02025   1.19411
   A277       1.31764   0.00032   0.00516   0.00173   0.00670   1.32433
   A278       0.59820   0.00014  -0.00478   0.00009  -0.00464   0.59356
    D1        0.01048   0.00003   0.00028   0.00071   0.00097   0.01146
    D2        3.11136  -0.00012   0.00828  -0.00624   0.00201   3.11337
    D3       -3.13013   0.00002   0.00159   0.00006   0.00164  -3.12849
    D4       -0.02926  -0.00014   0.00959  -0.00689   0.00267  -0.02658
    D5       -0.02762  -0.00004   0.00190  -0.00154   0.00037  -0.02725
    D6        3.11268  -0.00015   0.00790  -0.00591   0.00194   3.11462
    D7        3.11300  -0.00003   0.00059  -0.00089  -0.00030   3.11270
    D8       -0.02989  -0.00013   0.00659  -0.00527   0.00128  -0.02862
    D9        2.50048  -0.00016  -0.04070   0.00317  -0.03752   2.46296
   D10       -0.64202  -0.00014  -0.04093   0.00385  -0.03707  -0.67909
   D11       -0.64011  -0.00017  -0.03935   0.00251  -0.03684  -0.67695
   D12        2.50058  -0.00015  -0.03958   0.00319  -0.03639   2.46419
   D13        0.03127   0.00003  -0.00379   0.00191  -0.00187   0.02939
   D14       -3.04068   0.00012  -0.00239   0.00240   0.00003  -3.04065
   D15       -3.06916   0.00019  -0.01174   0.00894  -0.00284  -3.07200
   D16        0.14208   0.00028  -0.01034   0.00942  -0.00094   0.14114
   D17       -0.05648  -0.00007   0.00510  -0.00368   0.00144  -0.05504
   D18        3.05026  -0.00007  -0.00145  -0.00153  -0.00295   3.04731
   D19        3.01828  -0.00015   0.00378  -0.00412  -0.00032   3.01796
   D20       -0.15816  -0.00016  -0.00277  -0.00198  -0.00471  -0.16287
   D21       -2.97769  -0.00003   0.01136  -0.00412   0.00728  -2.97041
   D22        0.26388   0.00012   0.00888   0.00211   0.01101   0.27489
   D23        0.23365   0.00007   0.01274  -0.00364   0.00914   0.24280
   D24       -2.80796   0.00021   0.01026   0.00258   0.01287  -2.79509
   D25        0.04059   0.00006  -0.00314   0.00295  -0.00019   0.04040
   D26       -3.12396   0.00009  -0.00363   0.00416   0.00052  -3.12345
   D27       -3.06636   0.00006   0.00338   0.00080   0.00417  -3.06218
   D28        0.05228   0.00009   0.00288   0.00201   0.00488   0.05716
   D29       -0.21792  -0.00021  -0.01430   0.00059  -0.01372  -0.23164
   D30        2.94526  -0.00006   0.00676  -0.00569   0.00105   2.94630
   D31        2.88884  -0.00022  -0.02080   0.00270  -0.01807   2.87077
   D32       -0.23117  -0.00007   0.00026  -0.00358  -0.00330  -0.23447
   D33        0.00227  -0.00000  -0.00047  -0.00029  -0.00076   0.00152
   D34       -3.13802   0.00010  -0.00637   0.00408  -0.00233  -3.14035
   D35       -3.11573  -0.00004   0.00013  -0.00160  -0.00145  -3.11719
   D36        0.02716   0.00006  -0.00577   0.00278  -0.00303   0.02413
   D37        0.07717   0.00034  -0.00525   0.01054   0.00530   0.08247
   D38       -2.94026   0.00030  -0.00064   0.00722   0.00654  -2.93372
   D39        3.12129   0.00018  -0.00301   0.00458   0.00162   3.12291
   D40        0.10387   0.00014   0.00159   0.00126   0.00286   0.10673
   D41        3.01070  -0.00026   0.00275  -0.00794  -0.00519   3.00551
   D42       -0.05743  -0.00006   0.00062  -0.00344  -0.00283  -0.06026
   D43       -0.03265  -0.00011   0.00027  -0.00175  -0.00149  -0.03414
   D44       -3.10078   0.00010  -0.00186   0.00275   0.00087  -3.09991
   D45       -0.44852  -0.00055  -0.01156  -0.01091  -0.02244  -0.47096
   D46        3.11307  -0.00008   0.00391   0.00479   0.00854   3.12160
   D47        1.15565   0.00003   0.00809  -0.00399   0.00414   1.15978
   D48        2.56443  -0.00053  -0.01655  -0.00722  -0.02371   2.54072
   D49       -0.15716  -0.00006  -0.00109   0.00848   0.00726  -0.14990
   D50       -2.11458   0.00004   0.00309  -0.00030   0.00286  -2.11172
   D51       -0.09587  -0.00008  -0.00323   0.00029  -0.00295  -0.09882
   D52        2.99931  -0.00004  -0.01138   0.00720  -0.00419   2.99512
   D53       -3.10982  -0.00013   0.00207  -0.00355  -0.00146  -3.11128
   D54       -0.01464  -0.00008  -0.00608   0.00336  -0.00270  -0.01734
   D55        0.51742   0.00037   0.02190   0.00454   0.02643   0.54385
   D56       -2.64678   0.00022  -0.00014   0.01112   0.01097  -2.63580
   D57       -3.02843   0.00004   0.00656  -0.01078  -0.00415  -3.03258
   D58        0.09056  -0.00012  -0.01549  -0.00420  -0.01961   0.07095
   D59       -1.28354   0.00008   0.01397  -0.00043   0.01330  -1.27025
   D60        1.83545  -0.00008  -0.00807   0.00615  -0.00217   1.83328
   D61        2.60950  -0.00046  -0.00544  -0.00870  -0.01401   2.59548
   D62       -0.90732  -0.00061   0.01142  -0.01692  -0.00558  -0.91290
   D63       -0.10652   0.00013   0.01060   0.00808   0.01868  -0.08784
   D64        2.65985  -0.00002   0.02747  -0.00014   0.02711   2.68696
   D65        2.38671   0.00052  -0.01895   0.00546  -0.01380   2.37292
   D66        1.79591   0.00035  -0.01821   0.00485  -0.01340   1.78250
   D67       -1.86979   0.00012  -0.01709   0.00266  -0.01465  -1.88444
   D68       -2.46060  -0.00005  -0.01635   0.00206  -0.01426  -2.47486
   D69        3.10738  -0.00013  -0.01066   0.00433  -0.00644   3.10094
   D70       -0.01138   0.00004   0.01159  -0.00229   0.00927  -0.00211
   D71       -0.04967  -0.00001  -0.00053   0.00067   0.00013  -0.04954
   D72        3.13216   0.00003   0.00116   0.00043   0.00159   3.13375
   D73        3.01893  -0.00020   0.00179  -0.00375  -0.00198   3.01695
   D74       -0.08243  -0.00016   0.00348  -0.00399  -0.00051  -0.08295
   D75        0.05998   0.00007  -0.00110   0.00092  -0.00018   0.05980
   D76       -3.10002  -0.00002   0.00037  -0.00139  -0.00103  -3.10104
   D77       -3.12204   0.00002  -0.00281   0.00115  -0.00167  -3.12371
   D78        0.00115  -0.00007  -0.00134  -0.00116  -0.00252  -0.00137
   D79        2.54512  -0.00049  -0.07656   0.00013  -0.07642   2.46871
   D80       -0.59938  -0.00048  -0.07538   0.00011  -0.07528  -0.67466
   D81       -0.55479  -0.00044  -0.07492  -0.00008  -0.07499  -0.62979
   D82        2.58388  -0.00044  -0.07375  -0.00010  -0.07386   2.51003
   D83        0.01273  -0.00002   0.00314  -0.00147   0.00167   0.01440
   D84       -3.08303  -0.00007   0.01122  -0.00835   0.00287  -3.08016
   D85       -3.11058   0.00007   0.00182   0.00077   0.00258  -3.10800
   D86        0.07684   0.00001   0.00990  -0.00611   0.00378   0.08062
   D87        0.05223  -0.00004  -0.00341  -0.00576  -0.00925   0.04297
   D88       -3.03092   0.00000  -0.00935  -0.00186  -0.01128  -3.04220
   D89       -2.71610   0.00011  -0.01810   0.00120  -0.01703  -2.73313
   D90        0.48394   0.00015  -0.02404   0.00510  -0.01906   0.46488
   D91       -0.97758  -0.00019  -0.00073  -0.00077  -0.00142  -0.97900
   D92        2.22246  -0.00015  -0.00666   0.00313  -0.00345   2.21901
   D93        0.08951   0.00008  -0.01419   0.01495   0.00093   0.09044
   D94       -2.19926   0.00019  -0.00741   0.01165   0.00459  -2.19468
   D95        2.26218   0.00018  -0.01291   0.01570   0.00296   2.26514
   D96        2.85711  -0.00012   0.00130   0.00763   0.00906   2.86617
   D97        0.56834  -0.00001   0.00807   0.00433   0.01272   0.58106
   D98       -1.25341  -0.00002   0.00258   0.00838   0.01110  -1.24231
   D99        0.87310  -0.00018  -0.01430   0.00522  -0.00906   0.86404
   D100      -1.41568  -0.00007  -0.00753   0.00192  -0.00540  -1.42108
   D101       3.04576  -0.00008  -0.01302   0.00597  -0.00702   3.03874
   D102      -1.01799  -0.00016  -0.02314   0.00009  -0.02307  -1.04106
   D103      -1.63248  -0.00024  -0.01845  -0.00002  -0.01847  -1.65094
   D104       1.07461  -0.00022  -0.01147  -0.00447  -0.01578   1.05883
   D105       0.46012  -0.00030  -0.00678  -0.00459  -0.01118   0.44894
   D106       0.02894  -0.00005  -0.00051  -0.00076  -0.00122   0.02772
   D107      -3.10776   0.00002  -0.00609   0.00445  -0.00159  -3.10936
   D108       3.11495  -0.00007   0.00547  -0.00466   0.00081   3.11576
   D109      -0.02175   0.00000  -0.00010   0.00055   0.00043  -0.02132
   D110       3.10526  -0.00003   0.00505  -0.00350   0.00157   3.10683
   D111      -0.02207  -0.00009   0.00969  -0.00702   0.00270  -0.01937
   D112       0.02201   0.00000  -0.00086   0.00036  -0.00048   0.02153
   D113      -3.10532  -0.00005   0.00378  -0.00315   0.00065  -3.10467
   D114      -0.04898   0.00004  -0.00372   0.00484   0.00113  -0.04785
   D115       3.08784  -0.00002   0.00178  -0.00026   0.00150   3.08934
   D116       0.00473   0.00000   0.00031  -0.00065  -0.00033   0.00440
   D117       3.12182  -0.00009   0.00373  -0.00361   0.00014   3.12197
   D118      -3.13221   0.00007  -0.00504   0.00431  -0.00070  -3.13291
   D119      -0.01512  -0.00002  -0.00161   0.00135  -0.00022  -0.01534
   D120      -0.00527  -0.00001   0.00164  -0.00120   0.00043  -0.00485
   D121       3.12159  -0.00012   0.00545  -0.00454   0.00093   3.12252
   D122       3.12226   0.00004  -0.00294   0.00226  -0.00067   3.12159
   D123      -0.03406  -0.00006   0.00087  -0.00108  -0.00017  -0.03423
   D124      -0.01187   0.00001  -0.00145   0.00111  -0.00034  -0.01221
   D125       3.13454   0.00002  -0.00202   0.00140  -0.00061   3.13393
   D126      -3.13858   0.00012  -0.00543   0.00452  -0.00089  -3.13947
   D127       0.00783   0.00012  -0.00600   0.00481  -0.00116   0.00667
   D128       0.01199  -0.00001   0.00047  -0.00018   0.00030   0.01229
   D129      -3.10382   0.00009  -0.00325   0.00296  -0.00026  -3.10408
   D130      -3.13443  -0.00001   0.00103  -0.00047   0.00057  -3.13387
   D131       0.03294   0.00008  -0.00269   0.00267   0.00001   0.03295
   D132       0.58880   0.00028   0.05552  -0.00157   0.05396   0.64276
   D133      -2.55293   0.00027   0.05612  -0.00241   0.05371  -2.49922
   D134      -2.54776   0.00029   0.05493  -0.00126   0.05367  -2.49409
   D135       0.59369   0.00027   0.05553  -0.00211   0.05342   0.64711
   D136      -3.13278   0.00003   0.00040   0.00090   0.00130  -3.13148
   D137      -0.03357  -0.00010   0.00542  -0.00366   0.00172  -0.03185
   D138       0.00969   0.00001   0.00062   0.00024   0.00086   0.01055
   D139       3.10890  -0.00012   0.00564  -0.00432   0.00128   3.11018
   D140      -3.13455  -0.00002   0.00055  -0.00062  -0.00007  -3.13462
   D141      -0.03262  -0.00015   0.00740  -0.00603   0.00132  -0.03130
   D142       0.00617   0.00000   0.00032   0.00004   0.00036   0.00653
   D143       3.10810  -0.00013   0.00717  -0.00537   0.00176   3.10986
   D144      -3.13451   0.00003   0.00018   0.00112   0.00129  -3.13322
   D145      -0.03880  -0.00007   0.00047  -0.00044   0.00003  -0.03877
   D146       0.00990   0.00003  -0.00093   0.00114   0.00020   0.01010
   D147       3.10562  -0.00007  -0.00064  -0.00042  -0.00107   3.10455
   D148      -3.13216   0.00000   0.00074  -0.00039   0.00036  -3.13179
   D149      -0.03851  -0.00012   0.00573  -0.00379   0.00190  -0.03661
   D150       0.00662   0.00000   0.00185  -0.00040   0.00146   0.00808
   D151       3.10027  -0.00011   0.00684  -0.00381   0.00299   3.10326
   D152       3.13248  -0.00002   0.00056  -0.00095  -0.00039   3.13209
   D153       0.03391   0.00007  -0.00237   0.00170  -0.00065   0.03327
   D154      -0.00897  -0.00000  -0.00001  -0.00014  -0.00015  -0.00912
   D155      -3.10754   0.00009  -0.00294   0.00251  -0.00040  -3.10794
   D156       3.13616  -0.00000  -0.00092   0.00037  -0.00055   3.13561
   D157       0.03486   0.00009  -0.00530   0.00332  -0.00196   0.03290
   D158      -0.00557  -0.00002  -0.00035  -0.00045  -0.00079  -0.00637
   D159      -3.10687   0.00008  -0.00474   0.00250  -0.00220  -3.10907
   D160      -0.01722  -0.00003  -0.00071  -0.00084  -0.00154  -0.01876
   D161       3.10140  -0.00003  -0.00354   0.00018  -0.00337   3.09804
   D162      -3.11321   0.00005  -0.00069   0.00059  -0.00009  -3.11331
   D163       0.00541   0.00006  -0.00353   0.00161  -0.00192   0.00349
   D164       0.00786   0.00001   0.00153  -0.00025   0.00128   0.00914
   D165      -3.13323   0.00000   0.00076  -0.00035   0.00041  -3.13282
   D166      -3.11099   0.00001   0.00428  -0.00122   0.00305  -3.10794
   D167       0.03111   0.00000   0.00352  -0.00132   0.00218   0.03329
   D168       0.00841   0.00002  -0.00062   0.00099   0.00036   0.00877
   D169      -3.10858   0.00003   0.00047   0.00043   0.00088  -3.10770
   D170      -3.13369   0.00003   0.00015   0.00109   0.00123  -3.13246
   D171       0.03251   0.00003   0.00124   0.00053   0.00175   0.03426
   D172       0.93962  -0.00015  -0.00753  -0.00034  -0.00786   0.93176
   D173      -2.19897  -0.00015  -0.00694  -0.00043  -0.00737  -2.20634
   D174      -2.20145  -0.00016  -0.00831  -0.00044  -0.00875  -2.21020
   D175       0.94313  -0.00016  -0.00773  -0.00052  -0.00825   0.93488
   D176      -0.01581  -0.00003  -0.00107  -0.00067  -0.00173  -0.01754
   D177      -3.10962   0.00008  -0.00564   0.00261  -0.00307  -3.11269
   D178       3.10096  -0.00003  -0.00224  -0.00006  -0.00229   3.09867
   D179       0.00714   0.00008  -0.00681   0.00322  -0.00363   0.00351
   D180      -0.01676  -0.00001  -0.00099  -0.00030  -0.00128  -0.01804
   D181       3.10280  -0.00002  -0.00240   0.00012  -0.00227   3.10053
   D182      -3.11609   0.00011  -0.00574   0.00417  -0.00161  -3.11769
   D183       0.00347   0.00010  -0.00715   0.00459  -0.00259   0.00088
   D184       0.00782   0.00000   0.00046   0.00003   0.00049   0.00831
   D185      -3.13286   0.00000   0.00033  -0.00004   0.00028  -3.13258
   D186      -3.11196   0.00001   0.00180  -0.00034   0.00144  -3.11052
   D187       0.03054   0.00001   0.00167  -0.00042   0.00124   0.03178
   D188       0.00779   0.00001   0.00046   0.00027   0.00072   0.00851
   D189      -3.11234   0.00002   0.00122   0.00020   0.00141  -3.11093
   D190      -3.13471   0.00001   0.00059   0.00034   0.00093  -3.13379
   D191       0.02834   0.00003   0.00136   0.00027   0.00161   0.02996
   D192      -2.16675  -0.00023  -0.00479  -0.00329  -0.00808  -2.17482
   D193       0.98046  -0.00023  -0.00440  -0.00350  -0.00790   0.97256
   D194       0.97577  -0.00023  -0.00493  -0.00336  -0.00829   0.96748
   D195      -2.16022  -0.00024  -0.00454  -0.00357  -0.00811  -2.16833
   D196      -0.01493  -0.00001  -0.00084  -0.00031  -0.00114  -0.01607
   D197      -3.11700   0.00012  -0.00740   0.00501  -0.00244  -3.11944
   D198       3.10497  -0.00002  -0.00167  -0.00020  -0.00186   3.10311
   D199       0.00290   0.00011  -0.00823   0.00511  -0.00316  -0.00026
   D200       0.01547   0.00002   0.00041   0.00049   0.00089   0.01637
   D201      -3.10378   0.00001   0.00265  -0.00046   0.00219  -3.10159
   D202       3.11432  -0.00007   0.00306  -0.00207   0.00101   3.11533
   D203      -0.00494  -0.00008   0.00530  -0.00302   0.00231  -0.00263
   D204      -0.00729  -0.00001  -0.00051  -0.00021  -0.00073  -0.00802
   D205       3.13386  -0.00001  -0.00046   0.00004  -0.00042   3.13343
   D206       3.11219  -0.00001  -0.00267   0.00068  -0.00198   3.11021
   D207      -0.02985  -0.00000  -0.00262   0.00093  -0.00168  -0.03153
   D208      -0.00703  -0.00001   0.00016  -0.00038  -0.00021  -0.00723
   D209       3.11189  -0.00000  -0.00127   0.00053  -0.00072   3.11117
   D210       3.13501  -0.00002   0.00011  -0.00063  -0.00051   3.13450
   D211      -0.02926  -0.00001  -0.00132   0.00028  -0.00103  -0.03028
   D212       2.17635   0.00020   0.00598   0.00209   0.00808   2.18443
   D213      -0.96384   0.00020   0.00623   0.00206   0.00829  -0.95555
   D214      -0.96569   0.00021   0.00604   0.00235   0.00838  -0.95731
   D215       2.17730   0.00021   0.00628   0.00231   0.00859   2.18589
   D216       0.01359   0.00002   0.00025   0.00072   0.00097   0.01456
   D217       3.11503  -0.00006   0.00437  -0.00214   0.00226   3.11728
   D218      -3.10511   0.00001   0.00175  -0.00023   0.00152  -3.10360
   D219      -0.00367  -0.00007   0.00587  -0.00309   0.00281  -0.00087
   D220      -3.13738  -0.00001  -0.00001  -0.00014  -0.00014  -3.13753
   D221       0.03477  -0.00001   0.00218  -0.00097   0.00121   0.03598
   D222      -0.00058  -0.00000  -0.00034   0.00004  -0.00030  -0.00088
   D223      -3.11162  -0.00001   0.00185  -0.00080   0.00106  -3.11055
   D224       3.13594   0.00001  -0.00048   0.00036  -0.00012   3.13582
   D225       0.02477  -0.00001   0.00186  -0.00082   0.00104   0.02582
   D226      -0.00086   0.00000  -0.00015   0.00018   0.00004  -0.00083
   D227      -3.11203  -0.00001   0.00219  -0.00099   0.00119  -3.11083
   D228      -3.13961  -0.00000   0.00022   0.00005   0.00026  -3.13935
   D229       0.03648  -0.00000   0.00246  -0.00064   0.00182   0.03830
   D230      -0.00058   0.00000  -0.00028   0.00012  -0.00016  -0.00074
   D231      -3.10767  -0.00000   0.00196  -0.00057   0.00140  -3.10627
   D232       3.13797   0.00000  -0.00059   0.00010  -0.00049   3.13748
   D233       0.03009  -0.00000   0.00155  -0.00050   0.00106   0.03114
   D234      -0.00107  -0.00000  -0.00009   0.00003  -0.00007  -0.00113
   D235      -3.10895  -0.00000   0.00205  -0.00058   0.00148  -3.10747
   D236      -3.13963   0.00000   0.00043  -0.00004   0.00039  -3.13924
   D237      -0.02943   0.00001  -0.00197   0.00074  -0.00123  -0.03067
   D238       0.00076   0.00000   0.00023  -0.00002   0.00021   0.00097
   D239       3.11097   0.00001  -0.00217   0.00076  -0.00142   3.10955
   D240       3.14120  -0.00000   0.00003  -0.00016  -0.00013   3.14107
   D241      -0.03212   0.00001  -0.00225   0.00070  -0.00155  -0.03368
   D242       0.00080  -0.00000   0.00024  -0.00018   0.00005   0.00086
   D243       3.11066   0.00001  -0.00205   0.00068  -0.00137   3.10929
   D244       0.00195  -0.00000   0.00053  -0.00021   0.00031   0.00226
   D245      -3.13037   0.00002  -0.00192   0.00100  -0.00091  -3.13129
   D246       3.11226   0.00001  -0.00160   0.00048  -0.00112   3.11114
   D247      -0.02006   0.00002  -0.00404   0.00170  -0.00234  -0.02241
   D248       3.12194  -0.00001   0.00020  -0.00023  -0.00004   3.12190
   D249      -0.01001  -0.00003   0.00148  -0.00156  -0.00008  -0.01009
   D250       0.01867  -0.00001   0.00274  -0.00104   0.00170   0.02037
   D251      -3.11328  -0.00004   0.00403  -0.00237   0.00166  -3.11162
   D252      -0.00256   0.00000  -0.00058   0.00023  -0.00035  -0.00290
   D253       3.12872  -0.00002   0.00255  -0.00143   0.00113   3.12985
   D254       3.12790  -0.00002   0.00234  -0.00122   0.00112   3.12903
   D255      -0.02401  -0.00005   0.00547  -0.00288   0.00259  -0.02141
   D256       0.00658  -0.00001   0.00224  -0.00084   0.00139   0.00797
   D257      -3.14039  -0.00002   0.00175  -0.00097   0.00078  -3.13961
   D258      -3.12278   0.00001  -0.00098   0.00076  -0.00023  -3.12300
   D259       0.01344   0.00001  -0.00147   0.00063  -0.00084   0.01260
   D260       0.00225  -0.00000   0.00041  -0.00016   0.00026   0.00250
   D261       3.11328   0.00001  -0.00162   0.00045  -0.00116   3.11211
   D262      -3.13075   0.00002  -0.00221   0.00123  -0.00097  -3.13173
   D263      -0.01972   0.00003  -0.00424   0.00185  -0.00239  -0.02212
   D264      -3.12375   0.00002  -0.00103   0.00095  -0.00009  -3.12384
   D265       0.01303   0.00001  -0.00176   0.00085  -0.00091   0.01212
   D266       0.00650  -0.00001   0.00242  -0.00089   0.00153   0.00803
   D267      -3.13991  -0.00002   0.00170  -0.00098   0.00071  -3.13920
   D268       3.12258  -0.00001   0.00038  -0.00049  -0.00011   3.12246
   D269      -0.01085  -0.00004   0.00204  -0.00191   0.00013  -0.01072
   D270       0.01843  -0.00002   0.00281  -0.00120   0.00161   0.02004
   D271      -3.11500  -0.00004   0.00447  -0.00262   0.00185  -3.11315
   D272       0.00175   0.00000   0.00067  -0.00024   0.00043   0.00219
   D273      -3.13207   0.00002  -0.00198   0.00122  -0.00076  -3.13284
   D274       3.11561   0.00001  -0.00140   0.00058  -0.00083   3.11479
   D275      -0.01822   0.00003  -0.00406   0.00203  -0.00202  -0.02024
   D276       3.12451  -0.00001   0.00022  -0.00038  -0.00016   3.12435
   D277      -0.00831  -0.00004   0.00177  -0.00186  -0.00010  -0.00841
   D278       0.01686  -0.00002   0.00271  -0.00134   0.00137   0.01823
   D279      -3.11596  -0.00005   0.00425  -0.00282   0.00143  -3.11453
   D280      -0.00224   0.00000  -0.00075   0.00034  -0.00041  -0.00264
   D281       3.12988  -0.00002   0.00210  -0.00112   0.00098   3.13087
   D282       3.13001  -0.00003   0.00242  -0.00140   0.00103   3.13104
   D283      -0.02105  -0.00005   0.00527  -0.00286   0.00242  -0.01863
   D284       0.00606  -0.00001   0.00232  -0.00100   0.00131   0.00737
   D285      -3.14035  -0.00002   0.00159  -0.00107   0.00051  -3.13984
   D286      -3.12527   0.00002  -0.00119   0.00092  -0.00027  -3.12553
   D287       0.01151   0.00001  -0.00191   0.00085  -0.00107   0.01045
   D288       0.00193  -0.00000   0.00056  -0.00033   0.00023   0.00216
   D289       3.11591   0.00002  -0.00164   0.00080  -0.00085   3.11506
   D290      -3.13179   0.00001  -0.00183   0.00090  -0.00093  -3.13272
   D291      -0.01781   0.00003  -0.00403   0.00202  -0.00201  -0.01982
   D292      -3.12499   0.00001  -0.00079   0.00053  -0.00027  -3.12525
   D293       0.01206   0.00001  -0.00151   0.00061  -0.00090   0.01116
   D294       0.00619  -0.00002   0.00236  -0.00109   0.00127   0.00746
   D295      -3.13995  -0.00002   0.00164  -0.00100   0.00063  -3.13932
   D296       3.12415   0.00000   0.00001   0.00009   0.00010   3.12425
   D297      -0.01053  -0.00003   0.00154  -0.00148   0.00006  -0.01047
   D298       0.01635  -0.00002   0.00265  -0.00125   0.00140   0.01776
   D299      -3.11832  -0.00005   0.00419  -0.00282   0.00136  -3.11696
   D300      -0.00198  -0.00000  -0.00059   0.00020  -0.00038  -0.00237
   D301       3.13165  -0.00002   0.00194  -0.00122   0.00072   3.13237
   D302      -3.11510  -0.00001   0.00168  -0.00056   0.00112  -3.11398
   D303       0.01854  -0.00003   0.00420  -0.00198   0.00222   0.02076
   D304      -3.12388   0.00001  -0.00009   0.00041   0.00032  -3.12356
   D305       0.01012   0.00004  -0.00177   0.00189   0.00012   0.01024
   D306      -0.01715   0.00002  -0.00281   0.00131  -0.00150  -0.01865
   D307       3.11685   0.00005  -0.00449   0.00279  -0.00170   3.11515
   D308       0.00243  -0.00000   0.00072  -0.00031   0.00041   0.00284
   D309      -3.12930   0.00002  -0.00232   0.00128  -0.00104  -3.13034
   D310      -3.12960   0.00002  -0.00229   0.00139  -0.00091  -3.13051
   D311       0.02186   0.00005  -0.00533   0.00298  -0.00237   0.01949
   D312      -0.00626   0.00001  -0.00237   0.00094  -0.00142  -0.00769
   D313       3.13993   0.00002  -0.00169   0.00107  -0.00061   3.13932
   D314       3.12482  -0.00002   0.00096  -0.00093   0.00003   3.12485
   D315      -0.01217  -0.00001   0.00164  -0.00080   0.00085  -0.01133
   D316      -0.00201   0.00000  -0.00059   0.00030  -0.00029  -0.00229
   D317      -3.11482  -0.00001   0.00156  -0.00054   0.00103  -3.11379
   D318       3.13138  -0.00002   0.00195  -0.00103   0.00092   3.13230
   D319       0.01857  -0.00003   0.00411  -0.00187   0.00224   0.02081
   D320       3.12445  -0.00001   0.00099  -0.00078   0.00021   3.12466
   D321      -0.01214  -0.00001   0.00167  -0.00077   0.00089  -0.01125
   D322      -0.00630   0.00002  -0.00237   0.00097  -0.00139  -0.00769
   D323       3.14029   0.00002  -0.00169   0.00098  -0.00071   3.13959
   D324      -3.12345   0.00000  -0.00013   0.00016   0.00002  -3.12343
   D325       0.00979   0.00003  -0.00162   0.00164   0.00002   0.00981
   D326      -0.01710   0.00002  -0.00272   0.00115  -0.00157  -0.01868
   D327       3.11614   0.00005  -0.00421   0.00263  -0.00158   3.11456
   D328       0.00710  -0.00001   0.00062  -0.00061   0.00001   0.00711
   D329      -3.13989   0.00000   0.00086  -0.00019   0.00066  -3.13923
   D330      -3.12966  -0.00001   0.00135  -0.00052   0.00083  -3.12883
   D331       0.00653   0.00001   0.00159  -0.00010   0.00148   0.00801
   D332      -0.00827   0.00002  -0.00205   0.00127  -0.00078  -0.00905
   D333       3.13143  -0.00000  -0.00032   0.00007  -0.00025   3.13118
   D334       3.13871   0.00001  -0.00229   0.00085  -0.00144   3.13728
   D335      -0.00478  -0.00001  -0.00056  -0.00034  -0.00090  -0.00568
   D336      -0.00449  -0.00001   0.00034  -0.00036  -0.00002  -0.00451
   D337       3.12896   0.00002  -0.00133   0.00106  -0.00027   3.12870
   D338       3.13899   0.00001  -0.00139   0.00083  -0.00056   3.13844
   D339      -0.01074   0.00004  -0.00305   0.00226  -0.00080  -0.01154
   D340      -0.00439  -0.00001   0.00027  -0.00043  -0.00016  -0.00455
   D341       3.14009   0.00001  -0.00157   0.00080  -0.00077   3.13932
   D342       3.12760   0.00002  -0.00103   0.00090  -0.00013   3.12747
   D343      -0.01111   0.00004  -0.00287   0.00213  -0.00074  -0.01185
   D344      -0.00863   0.00002  -0.00197   0.00124  -0.00073  -0.00936
   D345       3.13930   0.00001  -0.00228   0.00086  -0.00142   3.13788
   D346       3.13007  -0.00000  -0.00013   0.00001  -0.00012   3.12995
   D347      -0.00519  -0.00001  -0.00044  -0.00037  -0.00081  -0.00600
   D348       0.00737  -0.00001   0.00067  -0.00057   0.00010   0.00746
   D349      -3.12884  -0.00001   0.00116  -0.00045   0.00071  -3.12813
   D350      -3.14058   0.00000   0.00098  -0.00019   0.00079  -3.13979
   D351       0.00640   0.00001   0.00147  -0.00006   0.00140   0.00780
   D352       0.00605  -0.00001   0.00049  -0.00051  -0.00002   0.00603
   D353      -3.14015   0.00000   0.00088  -0.00016   0.00072  -3.13943
   D354      -3.13098  -0.00001   0.00122  -0.00060   0.00062  -3.13037
   D355       0.00600   0.00000   0.00161  -0.00025   0.00136   0.00736
   D356      -0.00739   0.00002  -0.00187   0.00129  -0.00058  -0.00798
   D357       3.13263   0.00000  -0.00009   0.00004  -0.00005   3.13258
   D358       3.13879   0.00001  -0.00226   0.00095  -0.00132   3.13747
   D359      -0.00437  -0.00001  -0.00048  -0.00030  -0.00078  -0.00515
   D360      -0.00380  -0.00001   0.00030  -0.00041  -0.00010  -0.00391
   D361       3.13089   0.00002  -0.00123   0.00117  -0.00007   3.13082
   D362       3.13935   0.00001  -0.00148   0.00083  -0.00064   3.13872
   D363      -0.00914   0.00005  -0.00301   0.00241  -0.00060  -0.00974
   D364      -0.00388  -0.00001   0.00028  -0.00034  -0.00006  -0.00394
   D365       3.14048   0.00001  -0.00136   0.00079  -0.00056   3.13992
   D366       3.12895   0.00002  -0.00127   0.00115  -0.00012   3.12883
   D367      -0.00987   0.00004  -0.00291   0.00229  -0.00062  -0.01049
   D368      -0.00784   0.00002  -0.00192   0.00132  -0.00060  -0.00844
   D369       3.13948   0.00001  -0.00209   0.00083  -0.00126   3.13822
   D370       3.13096   0.00000  -0.00028   0.00019  -0.00009   3.13087
   D371      -0.00490  -0.00001  -0.00045  -0.00031  -0.00076  -0.00565
   D372       0.00660  -0.00001   0.00057  -0.00062  -0.00005   0.00655
   D373      -3.13017  -0.00001   0.00130  -0.00055   0.00075  -3.12942
   D374      -3.14074   0.00000   0.00074  -0.00012   0.00062  -3.14013
   D375       0.00568   0.00001   0.00147  -0.00005   0.00142   0.00709
   D376      -0.00657   0.00001  -0.00057   0.00054  -0.00003  -0.00659
   D377       3.14053  -0.00000  -0.00094   0.00017  -0.00077   3.13976
   D378       3.13002   0.00001  -0.00125   0.00053  -0.00071   3.12930
   D379      -0.00607  -0.00000  -0.00162   0.00017  -0.00146  -0.00752
   D380       0.00792  -0.00002   0.00196  -0.00127   0.00069   0.00860
   D381      -3.13139   0.00000   0.00010  -0.00002   0.00008  -3.13132
   D382      -3.13917  -0.00001   0.00234  -0.00091   0.00143  -3.13774
   D383       0.00471   0.00001   0.00048   0.00034   0.00082   0.00553
   D384       0.00392   0.00001  -0.00032   0.00043   0.00011   0.00402
   D385      -3.12935  -0.00002   0.00118  -0.00107   0.00012  -3.12923
   D386      -3.13995  -0.00001   0.00154  -0.00082   0.00072  -3.13923
   D387       0.00997  -0.00004   0.00304  -0.00231   0.00072   0.01070
   D388       0.00404   0.00001  -0.00032   0.00036   0.00004   0.00408
   D389      -3.13931  -0.00002   0.00150  -0.00091   0.00058  -3.13872
   D390      -3.12998  -0.00002   0.00136  -0.00113   0.00024  -3.12974
   D391       0.00985  -0.00004   0.00318  -0.00239   0.00079   0.01064
   D392       0.00779  -0.00002   0.00204  -0.00134   0.00070   0.00849
   D393      -3.13885  -0.00001   0.00230  -0.00091   0.00139  -3.13746
   D394      -3.13204   0.00000   0.00023  -0.00007   0.00015  -3.13189
   D395       0.00451   0.00001   0.00049   0.00036   0.00084   0.00535
   D396      -0.00652   0.00001  -0.00065   0.00066   0.00001  -0.00651
   D397       3.13046   0.00001  -0.00134   0.00053  -0.00080   3.12966
   D398       3.14013  -0.00000  -0.00090   0.00023  -0.00068   3.13946
   D399      -0.00607  -0.00001  -0.00160   0.00010  -0.00149  -0.00756
   D400       1.53711   0.00037   0.02007   0.01023   0.03086   1.56797
   D401      -0.73306   0.00035   0.02134   0.00879   0.03058  -0.70248
   D402      -2.97979   0.00101   0.01961   0.01103   0.03097  -2.94883
   D403      -3.05554  -0.00001  -0.01605  -0.00091  -0.01717  -3.07271
   D404      -0.89190   0.00022  -0.01311  -0.00104  -0.01412  -0.90602
   D405       1.36690  -0.00046  -0.01610  -0.00193  -0.01784   1.34906
   D406       2.73579  -0.00011  -0.02287  -0.00687  -0.02932   2.70647
   D407      -1.42308  -0.00026  -0.02216  -0.00907  -0.03053  -1.45361
   D408       0.59834   0.00017  -0.02235  -0.00677  -0.02864   0.56971
   D409       3.01937  -0.00003  -0.01187   0.00001  -0.01185   3.00751
   D410      -1.15357  -0.00008  -0.01062  -0.00114  -0.01176  -1.16532
   D411       0.90201  -0.00001  -0.01292   0.00072  -0.01219   0.88982
   D412       3.11514  -0.00000  -0.00304  -0.00050  -0.00350   3.11164
   D413      -1.08397   0.00002  -0.00276  -0.00033  -0.00306  -1.08702
   D414       1.03278  -0.00003  -0.00216  -0.00135  -0.00347   1.02932
   D415       1.05649   0.00005  -0.00425   0.00218  -0.00217   1.05432
   D416       3.14058   0.00007  -0.00397   0.00235  -0.00173   3.13885
   D417      -1.02586   0.00002  -0.00336   0.00133  -0.00214  -1.02800
   D418      -1.08483  -0.00005  -0.00408   0.00155  -0.00246  -1.08730
   D419       0.99925  -0.00003  -0.00380   0.00172  -0.00202   0.99723
   D420       3.11600  -0.00008  -0.00320   0.00070  -0.00243   3.11357
   D421       1.47565  -0.00012  -0.02534  -0.00308  -0.02841   1.44724
   D422      -2.74848   0.00003  -0.02488  -0.00409  -0.02889  -2.77737
   D423      -0.55371  -0.00027  -0.02487  -0.00526  -0.03013  -0.58384
   D424      -1.52483   0.00013   0.02066   0.00458   0.02523  -1.49960
   D425       2.68563   0.00003   0.02145   0.00312   0.02465   2.71028
   D426       0.49206   0.00024   0.02131   0.00424   0.02553   0.51759
   D427       1.05197  -0.00002  -0.00292  -0.00075  -0.00367   1.04830
   D428       3.14097  -0.00003  -0.00302  -0.00068  -0.00370   3.13727
   D429      -1.05428  -0.00003  -0.00272  -0.00084  -0.00357  -1.05785
   D430      -1.02235   0.00002  -0.00246  -0.00025  -0.00271  -1.02506
   D431       1.06665   0.00001  -0.00256  -0.00017  -0.00274   1.06392
   D432      -3.12860   0.00001  -0.00226  -0.00034  -0.00260  -3.13120
   D433       3.13123   0.00000  -0.00251  -0.00083  -0.00334   3.12789
   D434      -1.06296   0.00000  -0.00261  -0.00075  -0.00336  -1.06632
   D435       1.02497  -0.00000  -0.00231  -0.00092  -0.00323   1.02174
   D436      -1.46652  -0.00007   0.03133   0.00466   0.03612  -1.43040
   D437      -1.38143   0.00004   0.02539   0.00598   0.03124  -1.35018
   D438       0.32262   0.00007   0.01332   0.00234   0.01545   0.33807
   D439       1.10868   0.00012   0.01568   0.00175   0.01771   1.12639
   D440       0.92783   0.00007   0.00757   0.00328   0.01072   0.93855
   D441      -0.30722  -0.00006  -0.01270  -0.00218  -0.01477  -0.32199
         Item               Value     Threshold  Converged?
 Maximum Force            0.001462     0.000450     NO 
 RMS     Force            0.000152     0.000300     YES
 Maximum Displacement     0.591300     0.001800     NO 
 RMS     Displacement     0.084489     0.001200     NO 
 Predicted change in Energy=-3.223962D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.717600    2.851433    0.366496
      2          6           0       -1.990995    1.482883    0.453405
      3          6           0       -0.969177    0.521730    0.449740
      4          6           0        0.369080    0.961570    0.391660
      5          6           0        0.650303    2.329697    0.272516
      6          6           0       -0.374417    3.260527    0.259042
      7          6           0       -1.238294   -0.924731    0.415396
      8          6           0       -0.181769   -1.855529    0.622432
      9          6           0        1.147625   -1.357060    0.971724
     10          6           0        1.471271   -0.001341    0.504802
     11          6           0       -2.500758   -1.415192    0.059095
     12          6           0       -2.751453   -2.777705   -0.139274
     13          6           0       -1.670042   -3.668879   -0.029928
     14          6           0       -0.416259   -3.213018    0.333903
     15          7           0        2.203240   -2.228546    1.206170
     16          6           0        3.522775   -1.811877    0.884147
     17          6           0        3.713687   -0.499443    0.384309
     18          7           0        2.679938    0.390000    0.230824
     19          6           0        4.641467   -2.658083    0.974282
     20          6           0        5.897767   -2.203655    0.606411
     21          6           0        6.112288   -0.893879    0.125934
     22          6           0        5.001037   -0.065426    0.018127
     23          6           0       -2.816907    3.848486    0.389152
     24          6           0       -4.104606   -3.252809   -0.505747
     25          6           0        7.467510   -0.426353   -0.252820
     26          6           0       -4.285855   -4.297697   -1.428316
     27          6           0       -5.558089   -4.736624   -1.779301
     28          6           0       -6.689824   -4.152462   -1.195426
     29          6           0       -6.525723   -3.117506   -0.265792
     30          6           0       -5.250242   -2.670435    0.063330
     31          6           0       -2.673865    5.064863    1.078003
     32          6           0       -3.704657    5.998983    1.113399
     33          6           0       -4.904779    5.746730    0.437695
     34          6           0       -5.059546    4.544517   -0.262951
     35          6           0       -4.030770    3.607560   -0.276111
     36          6           0        8.384469   -1.287333   -0.878784
     37          6           0        9.652676   -0.847243   -1.245042
     38          6           0       10.044867    0.469609   -0.974516
     39          6           0        9.145814    1.337522   -0.342368
     40          6           0        7.873279    0.894002    0.003901
     41          7           0       -5.955482    6.701545    0.461713
     42          7           0       -7.988067   -4.604394   -1.542706
     43          7           0       11.340775    0.919591   -1.337431
     44          6           0       -8.436225   -5.932227   -1.492637
     45          6           0       -9.787374   -5.977841   -1.918855
     46          6           0      -10.173001   -4.620251   -2.243703
     47          6           0       -9.042769   -3.800588   -1.998865
     48          6           0       -7.271889    6.462020    0.877186
     49          6           0       -8.020120    7.659556    0.749537
     50          6           0       -7.117266    8.666362    0.231517
     51          6           0       -5.854673    8.042334    0.067911
     52          6           0       11.628607    2.038170   -2.131627
     53          6           0       13.034699    2.155135   -2.269153
     54          6           0       13.623097    1.061996   -1.523451
     55          6           0       12.551731    0.320545   -0.964575
     56          6           0      -11.354121   -4.040925   -2.720716
     57          6           0      -11.390631   -2.669462   -2.954307
     58          6           0      -10.255425   -1.875084   -2.723448
     59          6           0       -9.067431   -2.425748   -2.246700
     60          6           0       -7.762767   -7.080518   -1.068165
     61          6           0       -8.458203   -8.287685   -1.100006
     62          6           0       -9.791460   -8.354258   -1.537041
     63          6           0      -10.461471   -7.203889   -1.942710
     64          6           0       -7.267764   10.015267   -0.109506
     65          6           0       -6.173960   10.714144   -0.611580
     66          6           0       -4.934570   10.075032   -0.782215
     67          6           0       -4.756124    8.733904   -0.448948
     68          6           0       -7.841698    5.291623    1.384895
     69          6           0       -9.187130    5.330796    1.745178
     70          6           0       -9.948372    6.503791    1.609815
     71          6           0       -9.370390    7.670073    1.117229
     72          6           0       14.940783    0.659585   -1.278272
     73          6           0       15.171701   -0.457659   -0.481178
     74          6           0       14.098251   -1.170252    0.078505
     75          6           0       12.776627   -0.792940   -0.151063
     76          6           0       10.753703    2.926508   -2.762191
     77          6           0       11.310877    3.954850   -3.519660
     78          6           0       12.702171    4.096241   -3.652906
     79          6           0       13.567421    3.198762   -3.034307
     80          8           0        0.635097   -3.707818    2.948423
     81         15           0        1.985872   -3.559932    2.385270
     82          8           0        3.192986   -3.386240    3.410538
     83          8           0        2.513574   -4.761205    1.450070
     84          6           0        3.073100   -2.553055    4.620463
     85          6           0        4.075319   -3.075417    5.626619
     86          6           0        2.443843   -6.123265    1.971729
     87          6           0        2.812922   -7.068341    0.846763
     88          1           0       -3.022239    1.169755    0.562845
     89          1           0        1.687333    2.637455    0.212909
     90          1           0       -0.143049    4.316755    0.165096
     91          1           0       -3.302125   -0.714364   -0.139062
     92          1           0       -1.821386   -4.727104   -0.214734
     93          1           0        0.404082   -3.916949    0.351831
     94          1           0        4.533107   -3.675131    1.317280
     95          1           0        6.742190   -2.878216    0.705841
     96          1           0        5.079648    0.942099   -0.374884
     97          1           0       -3.419845   -4.741988   -1.909007
     98          1           0       -5.685389   -5.516417   -2.522512
     99          1           0       -7.399533   -2.686032    0.210537
    100          1           0       -5.135415   -1.886277    0.805215
    101          1           0       -1.757260    5.263051    1.624632
    102          1           0       -3.595910    6.917617    1.680201
    103          1           0       -5.978459    4.361984   -0.810022
    104          1           0       -4.156300    2.688736   -0.840542
    105          1           0        8.087025   -2.303778   -1.117727
    106          1           0       10.338072   -1.511246   -1.760984
    107          1           0        9.458639    2.349192   -0.106812
    108          1           0        7.194562    1.570505    0.513896
    109          1           0      -12.228735   -4.656494   -2.910677
    110          1           0      -12.301642   -2.207880   -3.322249
    111          1           0      -10.300365   -0.808095   -2.920864
    112          1           0       -8.191780   -1.807940   -2.082238
    113          1           0       -6.737927   -7.035205   -0.717232
    114          1           0       -7.955453   -9.194562   -0.777002
    115          1           0      -10.303062   -9.311569   -1.552630
    116          1           0      -11.496428   -7.254072   -2.268764
    117          1           0       -8.228431   10.507570    0.012316
    118          1           0       -6.277744   11.761456   -0.877792
    119          1           0       -4.094965   10.635157   -1.183356
    120          1           0       -3.799627    8.243660   -0.592284
    121          1           0       -7.256492    4.386397    1.502759
    122          1           0       -9.653703    4.433441    2.140945
    123          1           0      -10.995243    6.499039    1.897098
    124          1           0       -9.956983    8.579581    1.023541
    125          1           0       15.771791    1.216759   -1.701346
    126          1           0       16.189400   -0.780642   -0.285163
    127          1           0       14.298977   -2.033896    0.705725
    128          1           0       11.953132   -1.340713    0.293344
    129          1           0        9.678662    2.817059   -2.672690
    130          1           0       10.651690    4.659974   -4.017426
    131          1           0       13.103265    4.911148   -4.247451
    132          1           0       14.642880    3.302289   -3.146913
    133          1           0        3.266417   -1.522068    4.321315
    134          1           0        2.042908   -2.607686    4.974379
    135          1           0        4.033400   -2.457017    6.528816
    136          1           0        3.852316   -4.108688    5.907450
    137          1           0        5.093044   -3.031921    5.228387
    138          1           0        3.140037   -6.205238    2.812771
    139          1           0        1.428939   -6.301983    2.338730
    140          1           0        3.824067   -6.867677    0.482338
    141          1           0        2.774413   -8.100804    1.207596
    142          1           0        2.116292   -6.968547    0.010086
    143         17           0        0.835482   -0.360912    3.234157
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0185755           0.0073486           0.0056983
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13524.4650600781 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.43D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000016    0.000190   -0.000861 Ang=  -0.10 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.67904334     A.U. after   12 cycles
            NFock= 12  Conv=0.68D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000972465    0.000048132    0.000078015
      2        6           0.000678538    0.000229986   -0.000601783
      3        6          -0.000395939   -0.000289866   -0.000283019
      4        6           0.000224292    0.000123993    0.000149760
      5        6           0.000104423   -0.000377240    0.000029377
      6        6          -0.000083150    0.000250390    0.000437088
      7        6          -0.000181638   -0.000511227    0.000246017
      8        6          -0.001495013   -0.000143135   -0.001960067
      9        6          -0.000052419    0.000076386    0.004069252
     10        6           0.000575441    0.001272776   -0.001013879
     11        6           0.000469411    0.000154024    0.000342881
     12        6           0.000276421    0.000291869    0.000042893
     13        6          -0.000519357   -0.000346025   -0.000250484
     14        6           0.000493455    0.000716115   -0.000324073
     15        7           0.000300291   -0.000775484   -0.000902745
     16        6           0.000105621    0.000174455    0.000076859
     17        6           0.001026774   -0.000386368    0.000395099
     18        7          -0.001068236    0.000276816   -0.000603154
     19        6          -0.000430772    0.000030477   -0.000340958
     20        6           0.000314619    0.000215471   -0.000410289
     21        6           0.000300346   -0.000148819   -0.000030068
     22        6          -0.000285632   -0.000188942    0.000332124
     23        6           0.000644711   -0.000289841   -0.000093141
     24        6          -0.000270449   -0.000233033   -0.000064888
     25        6          -0.000253145   -0.000142576    0.000059440
     26        6           0.000114927    0.000182480    0.000276676
     27        6          -0.000033334    0.000185353    0.000105798
     28        6          -0.000767605   -0.000577767   -0.000329577
     29        6           0.000241341    0.000012324    0.000012613
     30        6           0.000045989    0.000165035   -0.000204333
     31        6           0.000137290    0.000180625   -0.000348297
     32        6           0.000203396   -0.000150413   -0.000127391
     33        6          -0.001227462    0.000628333    0.000056808
     34        6           0.000310769   -0.000127726    0.000121704
     35        6          -0.000155190   -0.000264149    0.000424006
     36        6           0.000023202   -0.000030171    0.000245828
     37        6          -0.000218133    0.000012599    0.000105044
     38        6           0.000941059    0.000615110   -0.000258221
     39        6          -0.000186937   -0.000243271    0.000002937
     40        6          -0.000065612    0.000098718   -0.000305894
     41        7          -0.000176387    0.000089902   -0.000003422
     42        7          -0.000358898   -0.000311584   -0.000159627
     43        7           0.000298123    0.000207963   -0.000067693
     44        6           0.000254034    0.001061704    0.000191815
     45        6           0.000038087   -0.000075045   -0.000324968
     46        6          -0.000191805   -0.000039103    0.000286748
     47        6           0.001027543   -0.000093358    0.000316132
     48        6           0.000983296    0.000219428   -0.000232000
     49        6          -0.000136326   -0.000085626   -0.000310122
     50        6          -0.000013545    0.000151127    0.000296427
     51        6           0.000465135   -0.000908886    0.000191707
     52        6          -0.000240878   -0.000929871    0.000486079
     53        6           0.000008298    0.000243309    0.000258532
     54        6           0.000144265   -0.000127641   -0.000290009
     55        6          -0.001069954   -0.000032021   -0.000156974
     56        6          -0.000078505   -0.000081505   -0.000179818
     57        6          -0.000154051   -0.000199250   -0.000051243
     58        6           0.000349971    0.000338969    0.000251975
     59        6          -0.000308521   -0.000075653   -0.000223556
     60        6          -0.000241470   -0.000303817   -0.000009603
     61        6           0.000493633    0.000256071    0.000072968
     62        6          -0.000223794   -0.000078704   -0.000088760
     63        6          -0.000164461   -0.000085169    0.000064512
     64        6          -0.000166306    0.000043082   -0.000127094
     65        6          -0.000241684    0.000037736    0.000048830
     66        6           0.000526845   -0.000130933    0.000080710
     67        6          -0.000275051    0.000222208   -0.000101112
     68        6          -0.000353337    0.000048331    0.000128743
     69        6           0.000437346   -0.000300269   -0.000087406
     70        6          -0.000178702    0.000167980   -0.000019210
     71        6          -0.000131244    0.000095715    0.000138027
     72        6           0.000105922    0.000164068    0.000084936
     73        6           0.000148948    0.000179499   -0.000093606
     74        6          -0.000364620   -0.000417410    0.000044935
     75        6           0.000337098    0.000171785    0.000063987
     76        6           0.000210491    0.000247398   -0.000217947
     77        6          -0.000481244   -0.000217956    0.000181049
     78        6           0.000230691    0.000100063   -0.000008852
     79        6           0.000142723    0.000025503   -0.000152607
     80        8          -0.000419566   -0.000146556    0.000288049
     81       15           0.000696944    0.001048039   -0.000169805
     82        8          -0.000347587    0.001096158    0.000531788
     83        8           0.000094067   -0.000543431    0.000326951
     84        6          -0.000303318   -0.000588053   -0.001225257
     85        6          -0.000153208    0.000195542    0.000201325
     86        6          -0.000229514    0.000274079    0.000251313
     87        6          -0.000014164   -0.000042117    0.000085627
     88        1          -0.000126321   -0.000176180    0.000397896
     89        1          -0.000103652    0.000193366   -0.000035658
     90        1           0.000245986    0.000028851   -0.000270373
     91        1          -0.000065550    0.000055019   -0.000039940
     92        1           0.000269682    0.000071573   -0.000055727
     93        1          -0.000325175   -0.000159282    0.000026637
     94        1           0.000053129    0.000061637    0.000154483
     95        1          -0.000088896   -0.000107869    0.000240959
     96        1          -0.000069077   -0.000013201   -0.000061072
     97        1          -0.000122072   -0.000208055   -0.000128372
     98        1           0.000205475   -0.000000697    0.000056592
     99        1           0.000079178    0.000162325    0.000073456
    100        1          -0.000243886   -0.000202424    0.000077010
    101        1          -0.000183107    0.000012108    0.000226089
    102        1           0.000207033    0.000022268   -0.000023097
    103        1           0.000116775   -0.000168844   -0.000002904
    104        1          -0.000088317    0.000154030   -0.000283063
    105        1           0.000134943    0.000066877   -0.000161854
    106        1          -0.000071941   -0.000183155    0.000070169
    107        1          -0.000185053   -0.000025575    0.000014565
    108        1           0.000165532    0.000150625    0.000122857
    109        1          -0.000051361    0.000060933   -0.000000191
    110        1          -0.000006897   -0.000027377   -0.000039875
    111        1          -0.000019651   -0.000033909   -0.000062323
    112        1          -0.000138467    0.000066603    0.000045109
    113        1           0.000055631   -0.000122461   -0.000076543
    114        1          -0.000065134   -0.000025892    0.000028809
    115        1          -0.000041826   -0.000008856    0.000019193
    116        1           0.000040551   -0.000069213    0.000002521
    117        1           0.000029933    0.000077929   -0.000011874
    118        1          -0.000038003   -0.000005998   -0.000030758
    119        1          -0.000063384    0.000002989   -0.000046638
    120        1           0.000000633    0.000161190    0.000044042
    121        1          -0.000120085   -0.000095824   -0.000053601
    122        1          -0.000040461    0.000041513    0.000043765
    123        1          -0.000020422    0.000033277    0.000025548
    124        1          -0.000039072   -0.000071195    0.000006517
    125        1           0.000054018   -0.000054284    0.000024622
    126        1           0.000012962    0.000043081    0.000018333
    127        1           0.000033094    0.000064531    0.000028442
    128        1           0.000129081   -0.000087110   -0.000028607
    129        1          -0.000034198    0.000152504    0.000016189
    130        1           0.000058677    0.000003366   -0.000053677
    131        1           0.000037697   -0.000006507   -0.000029730
    132        1          -0.000045393    0.000064345   -0.000027572
    133        1           0.000551827    0.000267448    0.000338047
    134        1           0.000103659   -0.000657753    0.000574409
    135        1           0.000068494   -0.000053848    0.000030703
    136        1           0.000007117   -0.000036717   -0.000002562
    137        1           0.000024869   -0.000025166   -0.000000479
    138        1           0.000102043   -0.000009750   -0.000071654
    139        1           0.000029812   -0.000047635   -0.000110562
    140        1           0.000023693   -0.000018226   -0.000017487
    141        1           0.000017503   -0.000017653   -0.000040908
    142        1           0.000000696   -0.000020000   -0.000029708
    143       17           0.000692526   -0.000864841   -0.000640586
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004069252 RMS     0.000387409

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001928324 RMS     0.000189628
 Search for a local minimum.
 Step number  14 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   12   13   14
 DE= -3.80D-04 DEPred=-3.22D-04 R= 1.18D+00
 TightC=F SS=  1.41D+00  RLast= 2.98D-01 DXNew= 4.0363D+00 8.9350D-01
 Trust test= 1.18D+00 RLast= 2.98D-01 DXMaxT set to 2.40D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00406   0.00418   0.00431   0.00824   0.01339
     Eigenvalues ---    0.01608   0.01697   0.01972   0.02505   0.02593
     Eigenvalues ---    0.02606   0.02663   0.02685   0.02702   0.02708
     Eigenvalues ---    0.02711   0.02713   0.02715   0.02718   0.02725
     Eigenvalues ---    0.02728   0.02731   0.02734   0.02744   0.02748
     Eigenvalues ---    0.02765   0.02769   0.02770   0.02774   0.02774
     Eigenvalues ---    0.02775   0.02780   0.02784   0.02785   0.02786
     Eigenvalues ---    0.02789   0.02791   0.02791   0.02792   0.02792
     Eigenvalues ---    0.02793   0.02793   0.02794   0.02796   0.02801
     Eigenvalues ---    0.02801   0.02802   0.02804   0.02804   0.02805
     Eigenvalues ---    0.02806   0.02807   0.02808   0.02808   0.02810
     Eigenvalues ---    0.02811   0.02812   0.02812   0.02817   0.02817
     Eigenvalues ---    0.02818   0.02818   0.02818   0.02819   0.02820
     Eigenvalues ---    0.02826   0.02832   0.02837   0.02842   0.02844
     Eigenvalues ---    0.02845   0.02845   0.02846   0.02847   0.02849
     Eigenvalues ---    0.02851   0.02856   0.02868   0.02868   0.02868
     Eigenvalues ---    0.02869   0.02870   0.02872   0.02873   0.02875
     Eigenvalues ---    0.02876   0.02877   0.02878   0.02878   0.02879
     Eigenvalues ---    0.02881   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02886   0.02886   0.02887
     Eigenvalues ---    0.02891   0.02892   0.02895   0.02897   0.02897
     Eigenvalues ---    0.02898   0.02898   0.02899   0.02899   0.02901
     Eigenvalues ---    0.02908   0.02909   0.02911   0.02940   0.02941
     Eigenvalues ---    0.02942   0.02983   0.03023   0.03024   0.03025
     Eigenvalues ---    0.03053   0.03133   0.03133   0.03134   0.03145
     Eigenvalues ---    0.03148   0.03162   0.03280   0.03539   0.03740
     Eigenvalues ---    0.04152   0.04807   0.04958   0.05373   0.05523
     Eigenvalues ---    0.05575   0.05587   0.05669   0.05733   0.05777
     Eigenvalues ---    0.07286   0.08797   0.09226   0.10519   0.11442
     Eigenvalues ---    0.11590   0.12751   0.12929   0.13661   0.15465
     Eigenvalues ---    0.15677   0.15955   0.15966   0.15985   0.15986
     Eigenvalues ---    0.15986   0.15989   0.15990   0.15994   0.15994
     Eigenvalues ---    0.15996   0.15996   0.15997   0.15997   0.15997
     Eigenvalues ---    0.15997   0.15998   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16003
     Eigenvalues ---    0.16006   0.16030   0.16041   0.16046   0.16236
     Eigenvalues ---    0.16439   0.17426   0.18343   0.18893   0.20781
     Eigenvalues ---    0.21067   0.21985   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22002   0.22002
     Eigenvalues ---    0.22010   0.22433   0.22467   0.22497   0.22601
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22603   0.22701
     Eigenvalues ---    0.22968   0.22972   0.23021   0.23430   0.23503
     Eigenvalues ---    0.23634   0.23890   0.23996   0.24008   0.24068
     Eigenvalues ---    0.24486   0.24487   0.24488   0.24522   0.24534
     Eigenvalues ---    0.24538   0.24558   0.24767   0.24919   0.24983
     Eigenvalues ---    0.24985   0.24986   0.24987   0.24988   0.24989
     Eigenvalues ---    0.24996   0.24999   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25006   0.25012
     Eigenvalues ---    0.25052   0.25239   0.25580   0.26702   0.27609
     Eigenvalues ---    0.28540   0.29038   0.29763   0.29788   0.30725
     Eigenvalues ---    0.32015   0.32099   0.32128   0.32141   0.32147
     Eigenvalues ---    0.32150   0.32177   0.32221   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33293   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33463   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33584   0.33586   0.33595   0.33634   0.33636
     Eigenvalues ---    0.33639   0.33643   0.33646   0.33664   0.33703
     Eigenvalues ---    0.33722   0.33738   0.33819   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33919   0.33941
     Eigenvalues ---    0.33947   0.33954   0.33959   0.34236   0.34463
     Eigenvalues ---    0.34822   0.34919   0.35053   0.38669   0.41607
     Eigenvalues ---    0.42806   0.44430   0.44435   0.44440   0.44475
     Eigenvalues ---    0.44721   0.46162   0.47655   0.48843   0.48965
     Eigenvalues ---    0.48973   0.49269   0.49504   0.49687   0.49814
     Eigenvalues ---    0.49830   0.49866   0.49917   0.49962   0.50040
     Eigenvalues ---    0.50249   0.50267   0.50401   0.50405   0.50409
     Eigenvalues ---    0.50611   0.50615   0.50620   0.51546   0.52131
     Eigenvalues ---    0.52377   0.52530   0.52866   0.53024   0.53910
     Eigenvalues ---    0.54089   0.54111   0.54198   0.54200   0.54204
     Eigenvalues ---    0.54399   0.54603   0.55099   0.55226   0.55316
     Eigenvalues ---    0.55344   0.55361   0.55367   0.55387   0.55412
     Eigenvalues ---    0.55495   0.55516   0.55554   0.55614   0.55697
     Eigenvalues ---    0.55703   0.55758   0.55935   0.55939   0.55949
     Eigenvalues ---    0.56095   0.56147   0.56152   0.56154   0.56264
     Eigenvalues ---    0.56282   0.56315   0.56372   0.56651   0.56662
     Eigenvalues ---    0.56664   0.56670   0.56672   0.56681   0.56899
     Eigenvalues ---    0.56914   0.56933   0.56990   0.57173   0.57178
     Eigenvalues ---    0.57190   0.57195   0.57208   0.57315   0.57618
     Eigenvalues ---    0.61701   0.64257   0.66054   0.66062   0.67645
     Eigenvalues ---    0.67657   0.67660   0.69189   0.70041   0.70094
     Eigenvalues ---    0.73692   0.77298   0.80182
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    14   13   12   11   10    9
 RFO step:  Lambda=-2.64000758D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    1.78215   -0.48193   -0.51589    0.00627    0.25471
                  RFO-DIIS coefs:   -0.04532
 Iteration  1 RMS(Cart)=  0.04572386 RMS(Int)=  0.00027545
 Iteration  2 RMS(Cart)=  0.00075771 RMS(Int)=  0.00003804
 Iteration  3 RMS(Cart)=  0.00000018 RMS(Int)=  0.00003804
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64239  -0.00000  -0.00061   0.00040  -0.00021   2.64218
    R2        2.66112   0.00029  -0.00010   0.00035   0.00026   2.66138
    R3        2.80489  -0.00047   0.00164  -0.00185  -0.00021   2.80469
    R4        2.65097  -0.00022   0.00042  -0.00082  -0.00040   2.65057
    R5        2.04710   0.00022   0.00013   0.00057   0.00070   2.04779
    R6        2.66429   0.00035  -0.00014   0.00038   0.00023   2.66452
    R7        2.78108  -0.00013   0.00180  -0.00129   0.00050   2.78158
    R8        2.64903  -0.00003   0.00062  -0.00030   0.00033   2.64935
    R9        2.77399   0.00013   0.00081   0.00028   0.00110   2.77509
   R10        2.61621   0.00015  -0.00049   0.00075   0.00027   2.61648
   R11        2.04728   0.00002  -0.00011   0.00020   0.00010   2.04738
   R12        2.05101   0.00002   0.00042  -0.00026   0.00015   2.05116
   R13        2.68946  -0.00032  -0.00113  -0.00052  -0.00168   2.68778
   R14        2.64651  -0.00028   0.00039  -0.00085  -0.00047   2.64603
   R15        2.76299   0.00193   0.00376   0.00311   0.00685   2.76984
   R16        2.65976  -0.00010  -0.00105  -0.00039  -0.00145   2.65832
   R17        2.77779   0.00125   0.00113   0.00338   0.00459   2.78238
   R18        2.62446   0.00095   0.00005   0.00268   0.00272   2.62718
   R19        4.70855  -0.00028  -0.07705  -0.00465  -0.08168   4.62687
   R20        2.45598  -0.00024  -0.00135  -0.00049  -0.00182   2.45416
   R21        2.64470  -0.00001  -0.00044   0.00027  -0.00016   2.64454
   R22        2.04633   0.00009  -0.00000   0.00053   0.00053   2.04686
   R23        2.65612  -0.00003  -0.00082  -0.00020  -0.00101   2.65512
   R24        2.79721   0.00064   0.00150  -0.00013   0.00137   2.79858
   R25        2.61313   0.00044   0.00070   0.00107   0.00177   2.61490
   R26        2.05007  -0.00001   0.00017   0.00012   0.00028   2.05035
   R27        2.04300  -0.00023  -0.00031   0.00023  -0.00008   2.04292
   R28        2.68480   0.00018   0.00041   0.00064   0.00104   2.68584
   R29        3.38578   0.00002  -0.00079  -0.00252  -0.00340   3.38238
   R30        5.81580  -0.00049  -0.05852   0.00175  -0.05692   5.75888
   R31        2.67833  -0.00009   0.00016  -0.00034  -0.00024   2.67808
   R32        2.65617  -0.00018   0.00082  -0.00070   0.00012   2.65628
   R33        2.59334   0.00105  -0.00042   0.00164   0.00119   2.59452
   R34        2.65890  -0.00017   0.00030  -0.00059  -0.00029   2.65861
   R35        2.61856   0.00021  -0.00011   0.00066   0.00055   2.61912
   R36        2.03861  -0.00001  -0.00067   0.00029  -0.00038   2.03823
   R37        2.66739  -0.00012  -0.00068  -0.00032  -0.00099   2.66640
   R38        2.05100  -0.00002   0.00025  -0.00008   0.00018   2.05118
   R39        2.62722   0.00024  -0.00032   0.00030  -0.00002   2.62720
   R40        2.80206   0.00007   0.00113  -0.00080   0.00033   2.80239
   R41        2.04906   0.00002   0.00021   0.00001   0.00023   2.04929
   R42        2.65542   0.00003  -0.00019  -0.00002  -0.00021   2.65521
   R43        2.65510   0.00005  -0.00016  -0.00004  -0.00020   2.65491
   R44        2.65624  -0.00007  -0.00018  -0.00045  -0.00063   2.65561
   R45        2.65605   0.00011  -0.00035  -0.00004  -0.00040   2.65565
   R46        2.65500   0.00004  -0.00012  -0.00011  -0.00023   2.65477
   R47        2.65498   0.00012  -0.00006  -0.00009  -0.00016   2.65482
   R48        2.62830   0.00007   0.00002   0.00020   0.00022   2.62852
   R49        2.05140  -0.00003   0.00014   0.00011   0.00024   2.05164
   R50        2.64763   0.00012   0.00032   0.00005   0.00037   2.64799
   R51        2.04985  -0.00002   0.00006   0.00006   0.00012   2.04997
   R52        2.64716   0.00017   0.00007   0.00023   0.00030   2.64746
   R53        2.67934  -0.00027  -0.00005  -0.00035  -0.00040   2.67893
   R54        2.62872   0.00001   0.00017   0.00009   0.00025   2.62898
   R55        2.04981  -0.00002   0.00006   0.00005   0.00011   2.04992
   R56        2.05145  -0.00005   0.00015  -0.00005   0.00010   2.05155
   R57        2.62962  -0.00002  -0.00014   0.00005  -0.00009   2.62952
   R58        2.05124  -0.00001   0.00029  -0.00019   0.00010   2.05134
   R59        2.64596   0.00023   0.00026   0.00020   0.00046   2.64642
   R60        2.05014  -0.00003   0.00007   0.00001   0.00008   2.05022
   R61        2.64573   0.00032   0.00031   0.00026   0.00057   2.64630
   R62        2.68329  -0.00050  -0.00033  -0.00062  -0.00094   2.68235
   R63        2.62967  -0.00003  -0.00004   0.00005   0.00001   2.62968
   R64        2.05016  -0.00002   0.00007   0.00002   0.00009   2.05026
   R65        2.05153   0.00002   0.00029  -0.00014   0.00014   2.05167
   R66        2.62949   0.00001  -0.00010   0.00008  -0.00002   2.62947
   R67        2.05166  -0.00002   0.00016  -0.00001   0.00015   2.05181
   R68        2.64636   0.00016   0.00032   0.00011   0.00043   2.64679
   R69        2.05004  -0.00002   0.00009   0.00001   0.00010   2.05014
   R70        2.64641   0.00025   0.00016   0.00026   0.00042   2.64683
   R71        2.68153  -0.00036  -0.00028  -0.00043  -0.00071   2.68082
   R72        2.62934  -0.00003   0.00012  -0.00003   0.00009   2.62943
   R73        2.05000  -0.00002   0.00009   0.00002   0.00011   2.05011
   R74        2.05138  -0.00001   0.00012  -0.00001   0.00011   2.05149
   R75        2.64759  -0.00040   0.00032  -0.00040  -0.00009   2.64750
   R76        2.64761  -0.00040   0.00040  -0.00045  -0.00005   2.64756
   R77        2.64999  -0.00048   0.00045  -0.00068  -0.00023   2.64977
   R78        2.65006  -0.00044   0.00043  -0.00058  -0.00015   2.64991
   R79        2.64886  -0.00044   0.00040  -0.00053  -0.00012   2.64874
   R80        2.64851  -0.00044   0.00042  -0.00055  -0.00013   2.64838
   R81        2.67871   0.00023  -0.00019   0.00034   0.00014   2.67886
   R82        2.64041   0.00020   0.00009   0.00018   0.00027   2.64068
   R83        2.73670  -0.00009  -0.00029   0.00007  -0.00021   2.73649
   R84        2.64438   0.00015   0.00033  -0.00010   0.00023   2.64461
   R85        2.67863   0.00023  -0.00022   0.00038   0.00016   2.67879
   R86        2.64440   0.00016   0.00035  -0.00010   0.00025   2.64465
   R87        2.64036   0.00022   0.00009   0.00022   0.00032   2.64067
   R88        2.67931   0.00023  -0.00021   0.00035   0.00015   2.67945
   R89        2.64040   0.00022   0.00002   0.00026   0.00027   2.64067
   R90        2.73661  -0.00007  -0.00018   0.00004  -0.00014   2.73647
   R91        2.64463   0.00016   0.00033  -0.00011   0.00022   2.64485
   R92        2.67936   0.00022  -0.00025   0.00033   0.00008   2.67944
   R93        2.64460   0.00017   0.00035  -0.00009   0.00026   2.64486
   R94        2.64036   0.00022  -0.00000   0.00025   0.00025   2.64061
   R95        2.67894   0.00023  -0.00023   0.00036   0.00013   2.67907
   R96        2.64036   0.00021   0.00005   0.00022   0.00027   2.64062
   R97        2.73667  -0.00008  -0.00024   0.00007  -0.00017   2.73650
   R98        2.64454   0.00016   0.00032  -0.00007   0.00025   2.64479
   R99        2.67909   0.00024  -0.00022   0.00036   0.00015   2.67924
   R100       2.64450   0.00016   0.00033  -0.00009   0.00024   2.64474
   R101       2.64037   0.00021   0.00002   0.00024   0.00027   2.64063
   R102       2.62992  -0.00006   0.00009  -0.00016  -0.00007   2.62985
   R103       2.05273  -0.00002  -0.00001  -0.00002  -0.00003   2.05270
   R104       2.65439   0.00025  -0.00001   0.00027   0.00026   2.65465
   R105       2.05136   0.00002   0.00011  -0.00005   0.00006   2.05142
   R106       2.63334  -0.00016   0.00001  -0.00025  -0.00024   2.63309
   R107       2.05230  -0.00002  -0.00001  -0.00001  -0.00002   2.05228
   R108       2.04885  -0.00002   0.00008  -0.00004   0.00004   2.04889
   R109       2.63337  -0.00016   0.00002  -0.00026  -0.00024   2.63313
   R110       2.04885  -0.00002   0.00008  -0.00000   0.00008   2.04893
   R111       2.65438   0.00026  -0.00000   0.00027   0.00027   2.65465
   R112       2.05235  -0.00002  -0.00001  -0.00001  -0.00002   2.05232
   R113       2.62993  -0.00005   0.00009  -0.00013  -0.00004   2.62989
   R114       2.05140   0.00002   0.00011  -0.00006   0.00006   2.05145
   R115       2.05274  -0.00002  -0.00001  -0.00002  -0.00003   2.05271
   R116       2.62999  -0.00006   0.00012  -0.00018  -0.00006   2.62993
   R117       2.05284  -0.00002  -0.00002  -0.00002  -0.00004   2.05280
   R118       2.65483   0.00024   0.00001   0.00022   0.00023   2.65506
   R119       2.05147   0.00001   0.00011  -0.00006   0.00005   2.05151
   R120       2.63312  -0.00015   0.00002  -0.00023  -0.00021   2.63291
   R121       2.05241  -0.00002  -0.00002  -0.00001  -0.00004   2.05237
   R122       2.04909  -0.00003   0.00012  -0.00008   0.00004   2.04912
   R123       2.63312  -0.00015   0.00003  -0.00024  -0.00021   2.63291
   R124       2.04910  -0.00003   0.00011  -0.00009   0.00002   2.04912
   R125       2.65487   0.00024  -0.00000   0.00023   0.00022   2.65509
   R126       2.05239  -0.00002  -0.00002  -0.00001  -0.00003   2.05237
   R127       2.62999  -0.00007   0.00013  -0.00019  -0.00006   2.62993
   R128       2.05146   0.00001   0.00011  -0.00006   0.00005   2.05151
   R129       2.05283  -0.00002  -0.00002  -0.00002  -0.00004   2.05279
   R130       2.62999  -0.00005   0.00011  -0.00014  -0.00004   2.62996
   R131       2.05278  -0.00002  -0.00001  -0.00002  -0.00003   2.05274
   R132       2.65460   0.00025   0.00000   0.00025   0.00025   2.65485
   R133       2.05142   0.00002   0.00011  -0.00006   0.00006   2.05148
   R134       2.63327  -0.00015   0.00003  -0.00024  -0.00022   2.63306
   R135       2.05240  -0.00002  -0.00002  -0.00001  -0.00003   2.05237
   R136       2.04902  -0.00002   0.00008  -0.00003   0.00005   2.04907
   R137       2.63323  -0.00016   0.00003  -0.00025  -0.00023   2.63300
   R138       2.04903  -0.00003   0.00010  -0.00007   0.00003   2.04906
   R139       2.65467   0.00025   0.00000   0.00025   0.00025   2.65492
   R140       2.05233  -0.00002  -0.00002  -0.00001  -0.00003   2.05230
   R141       2.62991  -0.00005   0.00012  -0.00017  -0.00005   2.62986
   R142       2.05141   0.00001   0.00011  -0.00006   0.00005   2.05146
   R143       2.05278  -0.00002  -0.00001  -0.00002  -0.00003   2.05275
   R144       2.77964   0.00051   0.00113  -0.00030   0.00083   2.78046
   R145       3.01082   0.00003  -0.00047   0.00165   0.00112   3.01194
   R146       3.04482   0.00002  -0.00119   0.00111  -0.00007   3.04475
   R147       2.78534  -0.00096  -0.00022  -0.00208  -0.00219   2.78314
   R148       2.75939  -0.00010  -0.00010  -0.00021  -0.00031   2.75908
   R149       2.85946   0.00010  -0.00016   0.00079   0.00063   2.86009
   R150       2.06127  -0.00004   0.00064  -0.00043   0.00022   2.06149
   R151       2.06105   0.00021   0.00061  -0.00011   0.00048   2.06153
   R152       2.06848  -0.00002   0.00023  -0.00020   0.00003   2.06851
   R153       2.06685   0.00004  -0.00012   0.00017   0.00005   2.06690
   R154       2.06685   0.00001  -0.00010   0.00011   0.00001   2.06686
   R155       2.86275   0.00006   0.00001   0.00012   0.00013   2.86288
   R156       2.06902   0.00001   0.00010  -0.00004   0.00006   2.06908
   R157       2.06721  -0.00004  -0.00009   0.00005  -0.00004   2.06717
   R158       2.06619   0.00002   0.00009  -0.00002   0.00007   2.06626
   R159       2.06807   0.00001   0.00008  -0.00007   0.00001   2.06809
   R160       2.06602   0.00002   0.00004   0.00002   0.00006   2.06608
   R161       5.48985   0.00005   0.03364   0.00274   0.03649   5.52634
   R162       5.83501   0.00011   0.03975   0.00490   0.04473   5.87974
    A1        2.06640  -0.00026   0.00047  -0.00043   0.00004   2.06644
    A2        2.10795   0.00014   0.00012  -0.00004   0.00008   2.10803
    A3        2.10883   0.00012  -0.00059   0.00046  -0.00012   2.10871
    A4        2.12704   0.00031   0.00053  -0.00025   0.00028   2.12731
    A5        2.06612  -0.00008  -0.00161   0.00135  -0.00023   2.06589
    A6        2.08935  -0.00024   0.00094  -0.00110  -0.00012   2.08923
    A7        2.06889  -0.00001  -0.00102   0.00117   0.00015   2.06904
    A8        2.14156  -0.00020   0.00161  -0.00142   0.00024   2.14180
    A9        2.07058   0.00020  -0.00074   0.00017  -0.00063   2.06995
   A10        2.09255  -0.00021   0.00051  -0.00104  -0.00053   2.09202
   A11        2.10005   0.00019   0.00089  -0.00048   0.00038   2.10042
   A12        2.08993   0.00002  -0.00146   0.00156   0.00015   2.09007
   A13        2.10428   0.00017   0.00015   0.00032   0.00045   2.10473
   A14        2.06458   0.00014  -0.00036   0.00063   0.00028   2.06486
   A15        2.11411  -0.00031   0.00022  -0.00093  -0.00070   2.11341
   A16        2.10590  -0.00001  -0.00058   0.00013  -0.00045   2.10545
   A17        2.08593   0.00026   0.00049   0.00028   0.00079   2.08672
   A18        2.09136  -0.00025   0.00006  -0.00041  -0.00034   2.09102
   A19        2.09863   0.00004  -0.00151   0.00034  -0.00122   2.09741
   A20        2.11179  -0.00033   0.00229  -0.00209   0.00026   2.11205
   A21        2.06823   0.00028  -0.00120   0.00163   0.00042   2.06865
   A22        2.07917   0.00015   0.00003   0.00018   0.00015   2.07932
   A23        2.06836  -0.00033   0.00135  -0.00100   0.00034   2.06870
   A24        2.12853   0.00018  -0.00111   0.00096  -0.00008   2.12846
   A25        2.02499  -0.00069  -0.00507  -0.00324  -0.00860   2.01639
   A26        2.11471   0.00057  -0.00338  -0.00091  -0.00451   2.11020
   A27        1.81246   0.00016   0.00313   0.00205   0.00532   1.81777
   A28        2.05445  -0.00011  -0.00005  -0.00092  -0.00132   2.05313
   A29        1.51805   0.00068   0.01202   0.00740   0.01955   1.53761
   A30        2.05348  -0.00016  -0.00243   0.00006  -0.00238   2.05110
   A31        2.07661   0.00016   0.00123  -0.00036   0.00089   2.07750
   A32        2.15249   0.00000   0.00074   0.00038   0.00126   2.15375
   A33        2.13944   0.00020  -0.00017  -0.00061  -0.00081   2.13863
   A34        2.07946  -0.00011   0.00292  -0.00132   0.00161   2.08108
   A35        2.06188  -0.00009  -0.00294   0.00205  -0.00088   2.06100
   A36        2.05830  -0.00029   0.00094  -0.00021   0.00073   2.05903
   A37        2.10753   0.00019  -0.00121   0.00089  -0.00032   2.10721
   A38        2.11658   0.00010   0.00024  -0.00069  -0.00044   2.11614
   A39        2.10487  -0.00004  -0.00091   0.00009  -0.00083   2.10404
   A40        2.09196   0.00028  -0.00014   0.00043   0.00029   2.09224
   A41        2.08620  -0.00024   0.00104  -0.00049   0.00055   2.08675
   A42        2.12110   0.00017  -0.00049   0.00019  -0.00032   2.12078
   A43        2.09229   0.00017   0.00095   0.00002   0.00100   2.09328
   A44        2.06884  -0.00034  -0.00048  -0.00010  -0.00056   2.06828
   A45        2.07562  -0.00014   0.00001   0.00002   0.00017   2.07579
   A46        2.07736   0.00006  -0.00257  -0.00043  -0.00301   2.07435
   A47        2.07120  -0.00000   0.00190  -0.00069   0.00138   2.07258
   A48        1.96509   0.00018   0.00569   0.00310   0.00884   1.97392
   A49        1.53416  -0.00044   0.00193  -0.00290  -0.00100   1.53316
   A50        2.06760   0.00020   0.00015   0.00068   0.00079   2.06839
   A51        2.15089  -0.00008   0.00190  -0.00106   0.00089   2.15178
   A52        2.06337  -0.00012  -0.00205   0.00033  -0.00171   2.06166
   A53        2.13903   0.00016   0.00029   0.00027   0.00049   2.13952
   A54        2.09516  -0.00002   0.00075  -0.00004   0.00073   2.09589
   A55        2.04899  -0.00015  -0.00105  -0.00024  -0.00123   2.04776
   A56        2.07351  -0.00010  -0.00014   0.00007  -0.00008   2.07343
   A57        2.10264   0.00022   0.00163  -0.00017   0.00145   2.10409
   A58        2.10368  -0.00006   0.00001   0.00012   0.00014   2.10382
   A59        2.07676  -0.00016  -0.00166   0.00009  -0.00157   2.07520
   A60        2.13230  -0.00010  -0.00043  -0.00013  -0.00057   2.13173
   A61        2.06830  -0.00015   0.00046  -0.00029   0.00017   2.06847
   A62        2.08250   0.00025  -0.00002   0.00041   0.00039   2.08289
   A63        2.04638  -0.00020  -0.00021  -0.00006  -0.00028   2.04611
   A64        2.11581   0.00015   0.00003   0.00006   0.00010   2.11590
   A65        2.12099   0.00005   0.00018  -0.00001   0.00018   2.12117
   A66        2.12625   0.00021   0.00033   0.00007   0.00039   2.12664
   A67        2.03452  -0.00017  -0.00012   0.00022   0.00011   2.03463
   A68        2.12216  -0.00004  -0.00023  -0.00030  -0.00052   2.12164
   A69        2.11014   0.00005  -0.00083   0.00045  -0.00038   2.10976
   A70        2.11467   0.00017   0.00003   0.00032   0.00035   2.11501
   A71        2.05838  -0.00022   0.00081  -0.00077   0.00003   2.05841
   A72        2.11644  -0.00000   0.00022  -0.00096  -0.00074   2.11570
   A73        2.10818   0.00031  -0.00141   0.00149   0.00008   2.10827
   A74        2.05856  -0.00031   0.00120  -0.00053   0.00066   2.05922
   A75        2.11425   0.00003  -0.00043  -0.00020  -0.00063   2.11362
   A76        2.11018   0.00026  -0.00039   0.00095   0.00056   2.11074
   A77        2.05876  -0.00029   0.00082  -0.00075   0.00007   2.05883
   A78        2.11551   0.00016  -0.00079   0.00043  -0.00036   2.11515
   A79        2.08519   0.00020  -0.00049   0.00054   0.00005   2.08523
   A80        2.08154  -0.00036   0.00126  -0.00087   0.00039   2.08193
   A81        2.09687   0.00025   0.00003   0.00036   0.00039   2.09726
   A82        2.10263  -0.00033   0.00073  -0.00147  -0.00073   2.10190
   A83        2.08342   0.00008  -0.00077   0.00111   0.00034   2.08376
   A84        2.08286  -0.00049   0.00023  -0.00091  -0.00068   2.08218
   A85        2.09978   0.00025  -0.00002   0.00033   0.00030   2.10009
   A86        2.10054   0.00025  -0.00020   0.00058   0.00038   2.10092
   A87        2.09657   0.00025  -0.00008   0.00051   0.00042   2.09699
   A88        2.08396   0.00007  -0.00062   0.00096   0.00034   2.08431
   A89        2.10238  -0.00032   0.00072  -0.00149  -0.00076   2.10161
   A90        2.11579   0.00014  -0.00064   0.00019  -0.00044   2.11535
   A91        2.08264   0.00023  -0.00084   0.00108   0.00025   2.08288
   A92        2.08384  -0.00037   0.00150  -0.00126   0.00024   2.08408
   A93        2.11549   0.00013  -0.00043   0.00044   0.00001   2.11549
   A94        2.08389   0.00014   0.00035   0.00005   0.00042   2.08431
   A95        2.08305  -0.00026  -0.00000  -0.00049  -0.00049   2.08256
   A96        2.09637   0.00025   0.00009   0.00045   0.00054   2.09691
   A97        2.10302  -0.00032   0.00035  -0.00127  -0.00092   2.10211
   A98        2.08357   0.00007  -0.00045   0.00081   0.00036   2.08393
   A99        2.08398  -0.00051  -0.00011  -0.00095  -0.00106   2.08292
   A100       2.10010   0.00021  -0.00015   0.00035   0.00020   2.10030
   A101       2.09911   0.00029   0.00026   0.00060   0.00086   2.09997
   A102       2.09575   0.00025   0.00017   0.00043   0.00060   2.09635
   A103       2.08341   0.00007  -0.00041   0.00083   0.00042   2.08383
   A104       2.10381  -0.00032   0.00024  -0.00128  -0.00104   2.10277
   A105       2.11622   0.00010  -0.00057   0.00045  -0.00012   2.11610
   A106       2.08427   0.00012   0.00044  -0.00012   0.00034   2.08460
   A107       2.08208  -0.00022   0.00007  -0.00038  -0.00030   2.08177
   A108       2.11565   0.00016  -0.00048   0.00049   0.00001   2.11566
   A109       2.08630   0.00012  -0.00033   0.00023  -0.00010   2.08620
   A110       2.08045  -0.00028   0.00079  -0.00071   0.00009   2.08054
   A111       2.09649   0.00024   0.00005   0.00037   0.00042   2.09691
   A112       2.10300  -0.00032   0.00057  -0.00140  -0.00083   2.10217
   A113       2.08346   0.00008  -0.00063   0.00102   0.00040   2.08386
   A114       2.08310  -0.00048   0.00009  -0.00095  -0.00087   2.08223
   A115       2.09966   0.00026  -0.00011   0.00055   0.00044   2.10010
   A116       2.10043   0.00022   0.00003   0.00041   0.00043   2.10086
   A117       2.09663   0.00026   0.00001   0.00051   0.00052   2.09715
   A118       2.08386   0.00005  -0.00060   0.00088   0.00028   2.08415
   A119       2.10246  -0.00031   0.00061  -0.00141  -0.00080   2.10165
   A120       2.11558   0.00012  -0.00052   0.00036  -0.00015   2.11543
   A121       2.08396   0.00016  -0.00037   0.00055   0.00019   2.08415
   A122       2.08299  -0.00028   0.00089  -0.00093  -0.00004   2.08296
   A123       2.19607  -0.00004   0.00008   0.00006   0.00014   2.19621
   A124       2.19631  -0.00007   0.00013  -0.00033  -0.00020   2.19611
   A125       1.89079   0.00012  -0.00021   0.00027   0.00006   1.89086
   A126       2.19654  -0.00007   0.00031  -0.00034  -0.00003   2.19650
   A127       2.19645  -0.00007   0.00004  -0.00004  -0.00000   2.19645
   A128       1.89020   0.00013  -0.00034   0.00038   0.00004   1.89023
   A129       2.19628  -0.00008   0.00010  -0.00017  -0.00008   2.19621
   A130       2.19628  -0.00004   0.00021  -0.00014   0.00007   2.19635
   A131       1.89062   0.00012  -0.00031   0.00031   0.00001   1.89062
   A132       1.90113   0.00006   0.00004   0.00000   0.00004   1.90117
   A133       2.25878   0.00021  -0.00008   0.00061   0.00052   2.25931
   A134       2.12272  -0.00026  -0.00002  -0.00058  -0.00060   2.12211
   A135       1.86617  -0.00012   0.00013  -0.00018  -0.00005   1.86611
   A136       2.08574   0.00013  -0.00008   0.00040   0.00033   2.08607
   A137       2.33124  -0.00001  -0.00006  -0.00022  -0.00028   2.33096
   A138       1.86608  -0.00011   0.00010  -0.00010   0.00000   1.86608
   A139       2.33133  -0.00003  -0.00002  -0.00035  -0.00037   2.33096
   A140       2.08575   0.00014  -0.00009   0.00044   0.00036   2.08610
   A141       1.90120   0.00004   0.00007  -0.00010  -0.00003   1.90118
   A142       2.25878   0.00023  -0.00013   0.00077   0.00063   2.25941
   A143       2.12267  -0.00027   0.00000  -0.00065  -0.00065   2.12202
   A144       1.90155   0.00004   0.00000  -0.00007  -0.00007   1.90148
   A145       2.25769   0.00024  -0.00027   0.00090   0.00062   2.25831
   A146       2.12351  -0.00028   0.00022  -0.00082  -0.00060   2.12291
   A147       1.86545  -0.00010   0.00010  -0.00007   0.00003   1.86548
   A148       2.08503   0.00014  -0.00023   0.00054   0.00032   2.08535
   A149       2.33268  -0.00004   0.00011  -0.00048  -0.00036   2.33232
   A150       1.86551  -0.00011   0.00012  -0.00013  -0.00001   1.86550
   A151       2.33262  -0.00003   0.00011  -0.00041  -0.00030   2.33232
   A152       2.08503   0.00014  -0.00023   0.00053   0.00030   2.08533
   A153       1.90147   0.00005  -0.00001  -0.00001  -0.00002   1.90145
   A154       2.25779   0.00023  -0.00028   0.00083   0.00054   2.25834
   A155       2.12349  -0.00028   0.00025  -0.00080  -0.00055   2.12294
   A156       1.90126   0.00005   0.00005  -0.00003   0.00002   1.90128
   A157       2.25814   0.00022  -0.00023   0.00076   0.00052   2.25866
   A158       2.12332  -0.00027   0.00013  -0.00071  -0.00059   2.12274
   A159       1.86582  -0.00011   0.00010  -0.00013  -0.00003   1.86579
   A160       2.08535   0.00013  -0.00014   0.00044   0.00031   2.08565
   A161       2.33200  -0.00002   0.00002  -0.00032  -0.00029   2.33170
   A162       1.86577  -0.00011   0.00012  -0.00013  -0.00001   1.86576
   A163       2.33207  -0.00002   0.00001  -0.00032  -0.00031   2.33177
   A164       2.08531   0.00014  -0.00013   0.00045   0.00032   2.08563
   A165       1.90131   0.00005   0.00004  -0.00002   0.00001   1.90132
   A166       2.25828   0.00022  -0.00019   0.00074   0.00055   2.25882
   A167       2.12312  -0.00027   0.00011  -0.00070  -0.00059   2.12253
   A168       2.07983  -0.00003  -0.00011   0.00005  -0.00006   2.07977
   A169       2.09971   0.00009   0.00049  -0.00013   0.00035   2.10007
   A170       2.10363  -0.00006  -0.00038   0.00008  -0.00029   2.10333
   A171       2.10427  -0.00001   0.00026  -0.00031  -0.00005   2.10422
   A172       2.09202  -0.00002  -0.00036   0.00019  -0.00017   2.09185
   A173       2.08689   0.00004   0.00010   0.00012   0.00022   2.08711
   A174       2.11969   0.00001  -0.00035   0.00026  -0.00009   2.11960
   A175       2.08553  -0.00005  -0.00004  -0.00007  -0.00011   2.08542
   A176       2.07797   0.00005   0.00039  -0.00019   0.00019   2.07816
   A177       2.05394   0.00017   0.00025   0.00024   0.00049   2.05443
   A178       2.11711   0.00005  -0.00037   0.00060   0.00022   2.11733
   A179       2.11210  -0.00022   0.00013  -0.00083  -0.00070   2.11140
   A180       2.05381   0.00018   0.00026   0.00022   0.00049   2.05429
   A181       2.11716   0.00004  -0.00040   0.00056   0.00016   2.11731
   A182       2.11218  -0.00022   0.00014  -0.00078  -0.00064   2.11154
   A183       2.11982  -0.00000  -0.00035   0.00023  -0.00012   2.11970
   A184       2.07778   0.00005   0.00039  -0.00017   0.00022   2.07800
   A185       2.08558  -0.00005  -0.00004  -0.00006  -0.00011   2.08548
   A186       2.10422  -0.00001   0.00026  -0.00028  -0.00003   2.10419
   A187       2.08702   0.00004   0.00012   0.00010   0.00021   2.08723
   A188       2.09193  -0.00002  -0.00036   0.00018  -0.00018   2.09175
   A189       2.07983  -0.00003  -0.00011   0.00004  -0.00007   2.07977
   A190       2.09967   0.00010   0.00047  -0.00012   0.00036   2.10003
   A191       2.10366  -0.00006  -0.00037   0.00008  -0.00029   2.10337
   A192       2.07992  -0.00003  -0.00014   0.00005  -0.00008   2.07984
   A193       2.09970   0.00010   0.00053  -0.00012   0.00040   2.10010
   A194       2.10355  -0.00007  -0.00039   0.00007  -0.00032   2.10323
   A195       2.10450  -0.00001   0.00035  -0.00034   0.00001   2.10451
   A196       2.09184  -0.00002  -0.00040   0.00020  -0.00020   2.09164
   A197       2.08684   0.00004   0.00005   0.00014   0.00019   2.08703
   A198       2.11975  -0.00000  -0.00039   0.00025  -0.00014   2.11961
   A199       2.08545  -0.00005  -0.00003  -0.00008  -0.00011   2.08534
   A200       2.07798   0.00006   0.00042  -0.00017   0.00025   2.07823
   A201       2.05351   0.00018   0.00013   0.00032   0.00046   2.05397
   A202       2.11609   0.00005  -0.00040   0.00068   0.00028   2.11637
   A203       2.11357  -0.00023   0.00027  -0.00101  -0.00074   2.11283
   A204       2.05351   0.00018   0.00015   0.00033   0.00048   2.05398
   A205       2.11612   0.00004  -0.00043   0.00061   0.00019   2.11630
   A206       2.11353  -0.00022   0.00028  -0.00094  -0.00066   2.11287
   A207       2.11971   0.00000  -0.00039   0.00026  -0.00013   2.11958
   A208       2.07808   0.00005   0.00043  -0.00018   0.00025   2.07832
   A209       2.08539  -0.00005  -0.00004  -0.00008  -0.00012   2.08527
   A210       2.10453  -0.00001   0.00034  -0.00035  -0.00000   2.10453
   A211       2.08676   0.00004   0.00006   0.00015   0.00022   2.08698
   A212       2.09188  -0.00003  -0.00040   0.00019  -0.00021   2.09167
   A213       2.07989  -0.00003  -0.00013   0.00006  -0.00007   2.07982
   A214       2.09975   0.00009   0.00051  -0.00013   0.00038   2.10013
   A215       2.10353  -0.00006  -0.00039   0.00007  -0.00031   2.10321
   A216       2.07993  -0.00003  -0.00014   0.00007  -0.00007   2.07986
   A217       2.09971   0.00009   0.00051  -0.00015   0.00037   2.10008
   A218       2.10353  -0.00006  -0.00038   0.00008  -0.00030   2.10323
   A219       2.10438  -0.00001   0.00030  -0.00031  -0.00001   2.10437
   A220       2.09187  -0.00002  -0.00038   0.00020  -0.00019   2.09168
   A221       2.08692   0.00004   0.00009   0.00011   0.00020   2.08712
   A222       2.11971  -0.00000  -0.00036   0.00023  -0.00013   2.11958
   A223       2.08546  -0.00006  -0.00003  -0.00008  -0.00011   2.08535
   A224       2.07801   0.00006   0.00040  -0.00016   0.00024   2.07825
   A225       2.05372   0.00018   0.00019   0.00029   0.00049   2.05420
   A226       2.11646   0.00004  -0.00042   0.00061   0.00019   2.11665
   A227       2.11298  -0.00022   0.00023  -0.00090  -0.00067   2.11230
   A228       2.05347   0.00018   0.00017   0.00031   0.00049   2.05396
   A229       2.11695   0.00003  -0.00040   0.00055   0.00016   2.11710
   A230       2.11274  -0.00021   0.00023  -0.00087  -0.00064   2.11210
   A231       2.11981  -0.00000  -0.00035   0.00022  -0.00013   2.11968
   A232       2.07784   0.00006   0.00039  -0.00015   0.00025   2.07808
   A233       2.08553  -0.00006  -0.00004  -0.00007  -0.00012   2.08542
   A234       2.10445  -0.00001   0.00030  -0.00031  -0.00001   2.10444
   A235       2.08683   0.00004   0.00008   0.00013   0.00021   2.08704
   A236       2.09189  -0.00003  -0.00037   0.00018  -0.00019   2.09170
   A237       2.07977  -0.00003  -0.00014   0.00007  -0.00006   2.07971
   A238       2.09975   0.00010   0.00049  -0.00011   0.00038   2.10012
   A239       2.10365  -0.00007  -0.00036   0.00004  -0.00032   2.10334
   A240       2.02426  -0.00011  -0.00013  -0.00066  -0.00071   2.02355
   A241       1.82406   0.00041  -0.00008   0.00170   0.00147   1.82553
   A242       1.70349   0.00063   0.00226   0.00128   0.00352   1.70701
   A243       2.04918  -0.00025  -0.00144  -0.00082  -0.00229   2.04689
   A244       2.03535  -0.00025  -0.00081  -0.00054  -0.00138   2.03397
   A245       1.77894  -0.00026   0.00094  -0.00047   0.00057   1.77951
   A246       2.12732   0.00001   0.00151  -0.00108   0.00042   2.12774
   A247       2.06286  -0.00033  -0.00025  -0.00020  -0.00045   2.06242
   A248       1.87216   0.00024  -0.00086   0.00157   0.00053   1.87269
   A249       1.86999  -0.00004  -0.00057   0.00064   0.00025   1.87024
   A250       1.89113  -0.00004   0.00119  -0.00087   0.00042   1.89155
   A251       1.97280  -0.00022   0.00003  -0.00194  -0.00184   1.97096
   A252       1.97420  -0.00032  -0.00140  -0.00101  -0.00233   1.97187
   A253       1.87941   0.00040   0.00168   0.00168   0.00313   1.88254
   A254       1.90463   0.00014   0.00126   0.00016   0.00142   1.90604
   A255       1.94101  -0.00004  -0.00045  -0.00017  -0.00063   1.94039
   A256       1.93957   0.00001  -0.00089   0.00063  -0.00026   1.93932
   A257       1.89050  -0.00005  -0.00013  -0.00012  -0.00025   1.89025
   A258       1.88943  -0.00004  -0.00025   0.00012  -0.00013   1.88931
   A259       1.89735  -0.00002   0.00048  -0.00063  -0.00015   1.89720
   A260       1.88073   0.00008   0.00021   0.00010   0.00032   1.88104
   A261       1.89009   0.00001  -0.00077   0.00051  -0.00025   1.88984
   A262       1.89289   0.00002   0.00000   0.00029   0.00030   1.89319
   A263       1.94853  -0.00010  -0.00011  -0.00024  -0.00035   1.94818
   A264       1.95330  -0.00011   0.00011  -0.00078  -0.00068   1.95263
   A265       1.89652   0.00011   0.00052   0.00017   0.00068   1.89720
   A266       1.93727   0.00003   0.00005  -0.00007  -0.00001   1.93725
   A267       1.91255   0.00006   0.00056  -0.00028   0.00028   1.91282
   A268       1.93490   0.00002   0.00002   0.00015   0.00017   1.93508
   A269       1.89186  -0.00004  -0.00030   0.00011  -0.00019   1.89167
   A270       1.89382  -0.00002  -0.00015   0.00005  -0.00010   1.89373
   A271       1.89233  -0.00004  -0.00021   0.00004  -0.00017   1.89216
   A272       1.90934  -0.00027  -0.00535  -0.00114  -0.00670   1.90264
   A273       1.72139  -0.00034  -0.00782  -0.00225  -0.01021   1.71118
   A274       1.64604   0.00050   0.01855   0.00385   0.02236   1.66840
   A275       1.74350   0.00050   0.00994   0.00075   0.01070   1.75420
   A276       1.19411   0.00026   0.01359   0.00374   0.01727   1.21137
   A277       1.32433   0.00024   0.00658   0.00055   0.00703   1.33136
   A278       0.59356   0.00011  -0.00351  -0.00015  -0.00370   0.58987
    D1        0.01146   0.00002   0.00146  -0.00066   0.00081   0.01227
    D2        3.11337  -0.00009  -0.00075  -0.00078  -0.00151   3.11186
    D3       -3.12849  -0.00001   0.00171  -0.00120   0.00052  -3.12797
    D4       -0.02658  -0.00012  -0.00051  -0.00132  -0.00180  -0.02838
    D5       -0.02725  -0.00006   0.00075  -0.00173  -0.00098  -0.02823
    D6        3.11462  -0.00016   0.00027  -0.00316  -0.00287   3.11176
    D7        3.11270  -0.00003   0.00050  -0.00119  -0.00068   3.11201
    D8       -0.02862  -0.00013   0.00002  -0.00262  -0.00257  -0.03119
    D9        2.46296   0.00011  -0.00908   0.00189  -0.00719   2.45576
   D10       -0.67909   0.00012  -0.00860   0.00188  -0.00673  -0.68582
   D11       -0.67695   0.00008  -0.00884   0.00134  -0.00750  -0.68445
   D12        2.46419   0.00009  -0.00836   0.00133  -0.00703   2.45716
   D13        0.02939   0.00006  -0.00242   0.00256   0.00014   0.02953
   D14       -3.04065   0.00019   0.00025   0.00375   0.00401  -3.03664
   D15       -3.07200   0.00017  -0.00015   0.00263   0.00249  -3.06951
   D16        0.14114   0.00030   0.00252   0.00381   0.00637   0.14751
   D17       -0.05504  -0.00010   0.00120  -0.00208  -0.00090  -0.05594
   D18        3.04731  -0.00005  -0.00015  -0.00085  -0.00102   3.04630
   D19        3.01796  -0.00024  -0.00127  -0.00328  -0.00458   3.01338
   D20       -0.16287  -0.00019  -0.00261  -0.00205  -0.00469  -0.16757
   D21       -2.97041  -0.00005  -0.00370   0.00156  -0.00216  -2.97257
   D22        0.27489   0.00011   0.00113   0.00274   0.00386   0.27875
   D23        0.24280   0.00008  -0.00102   0.00271   0.00168   0.24448
   D24       -2.79509   0.00024   0.00381   0.00389   0.00771  -2.78738
   D25        0.04040   0.00007   0.00100  -0.00027   0.00075   0.04114
   D26       -3.12345   0.00009   0.00157   0.00084   0.00242  -3.12103
   D27       -3.06218   0.00002   0.00230  -0.00144   0.00085  -3.06133
   D28        0.05716   0.00004   0.00287  -0.00034   0.00252   0.05968
   D29       -0.23164  -0.00020  -0.00617  -0.00234  -0.00856  -0.24020
   D30        2.94630  -0.00019   0.00234  -0.00472  -0.00243   2.94387
   D31        2.87077  -0.00016  -0.00746  -0.00117  -0.00869   2.86208
   D32       -0.23447  -0.00015   0.00105  -0.00356  -0.00256  -0.23703
   D33        0.00152   0.00001  -0.00196   0.00218   0.00020   0.00172
   D34       -3.14035   0.00011  -0.00154   0.00361   0.00210  -3.13826
   D35       -3.11719  -0.00002  -0.00253   0.00102  -0.00153  -3.11872
   D36        0.02413   0.00008  -0.00211   0.00245   0.00036   0.02449
   D37        0.08247   0.00039   0.01338   0.00127   0.01466   0.09713
   D38       -2.93372   0.00034   0.01101  -0.00006   0.01098  -2.92274
   D39        3.12291   0.00020   0.00889  -0.00010   0.00878   3.13169
   D40        0.10673   0.00015   0.00652  -0.00143   0.00509   0.11182
   D41        3.00551  -0.00027  -0.00989   0.00022  -0.00969   2.99582
   D42       -0.06026  -0.00017  -0.00678  -0.00170  -0.00848  -0.06873
   D43       -0.03414  -0.00010  -0.00512   0.00145  -0.00367  -0.03781
   D44       -3.09991   0.00000  -0.00201  -0.00047  -0.00245  -3.10236
   D45       -0.47096  -0.00053  -0.02119  -0.00459  -0.02570  -0.49666
   D46        3.12160   0.00005  -0.00004   0.00775   0.00758   3.12918
   D47        1.15978   0.00014  -0.00715   0.00404  -0.00306   1.15672
   D48        2.54072  -0.00051  -0.01857  -0.00336  -0.02185   2.51887
   D49       -0.14990   0.00007   0.00258   0.00898   0.01143  -0.13847
   D50       -2.11172   0.00015  -0.00453   0.00527   0.00079  -2.11093
   D51       -0.09882  -0.00009  -0.00369   0.00086  -0.00283  -0.10165
   D52        2.99512   0.00001  -0.00336   0.00359   0.00024   2.99535
   D53       -3.11128  -0.00014  -0.00617  -0.00045  -0.00664  -3.11793
   D54       -0.01734  -0.00004  -0.00583   0.00228  -0.00358  -0.02092
   D55        0.54385   0.00032   0.01702   0.00506   0.02194   0.56579
   D56       -2.63580   0.00030   0.00811   0.00754   0.01550  -2.62030
   D57       -3.03258  -0.00005  -0.00418  -0.00681  -0.01098  -3.04356
   D58        0.07095  -0.00006  -0.01309  -0.00432  -0.01741   0.05354
   D59       -1.27025  -0.00014   0.00780  -0.00064   0.00716  -1.26309
   D60        1.83328  -0.00016  -0.00111   0.00184   0.00073   1.83401
   D61        2.59548  -0.00059  -0.00934  -0.00682  -0.01621   2.57927
   D62       -0.91290  -0.00083  -0.00993  -0.01025  -0.02023  -0.93313
   D63       -0.08784   0.00014   0.01329   0.00629   0.01956  -0.06829
   D64        2.68696  -0.00010   0.01269   0.00286   0.01554   2.70250
   D65        2.37292   0.00073  -0.00601   0.00154  -0.00446   2.36846
   D66        1.78250   0.00059  -0.00476   0.00102  -0.00381   1.77869
   D67       -1.88444   0.00020  -0.00805   0.00016  -0.00794  -1.89239
   D68       -2.47486   0.00006  -0.00680  -0.00036  -0.00729  -2.48215
   D69        3.10094  -0.00008  -0.00346   0.00193  -0.00158   3.09936
   D70       -0.00211  -0.00007   0.00563  -0.00059   0.00501   0.00290
   D71       -0.04954  -0.00003   0.00065  -0.00082  -0.00017  -0.04970
   D72        3.13375   0.00001   0.00139  -0.00065   0.00074   3.13449
   D73        3.01695  -0.00013  -0.00222   0.00094  -0.00126   3.01569
   D74       -0.08295  -0.00009  -0.00148   0.00111  -0.00036  -0.08331
   D75        0.05980   0.00007   0.00242   0.00011   0.00253   0.06233
   D76       -3.10104   0.00006   0.00162   0.00159   0.00321  -3.09783
   D77       -3.12371   0.00003   0.00164  -0.00002   0.00162  -3.12209
   D78       -0.00137   0.00003   0.00085   0.00145   0.00231   0.00094
   D79        2.46871   0.00009  -0.03918   0.01007  -0.02912   2.43959
   D80       -0.67466   0.00008  -0.03818   0.00929  -0.02889  -0.70355
   D81       -0.62979   0.00014  -0.03845   0.01023  -0.02821  -0.65800
   D82        2.51003   0.00013  -0.03744   0.00945  -0.02799   2.48204
   D83        0.01440  -0.00001  -0.00091  -0.00011  -0.00103   0.01337
   D84       -3.08016  -0.00012  -0.00127  -0.00281  -0.00409  -3.08425
   D85       -3.10800  -0.00001  -0.00013  -0.00159  -0.00171  -3.10971
   D86        0.08062  -0.00012  -0.00048  -0.00429  -0.00478   0.07585
   D87        0.04297  -0.00009  -0.00715  -0.00373  -0.01088   0.03209
   D88       -3.04220  -0.00003  -0.00729  -0.00280  -0.01009  -3.05229
   D89       -2.73313   0.00014  -0.00566  -0.00036  -0.00594  -2.73907
   D90        0.46488   0.00020  -0.00580   0.00056  -0.00515   0.45973
   D91       -0.97900  -0.00029   0.00158  -0.00239  -0.00084  -0.97984
   D92        2.21901  -0.00024   0.00144  -0.00147  -0.00005   2.21896
   D93        0.09044   0.00016   0.00304   0.00480   0.00787   0.09831
   D94       -2.19468   0.00023   0.00517   0.00494   0.01022  -2.18445
   D95        2.26514   0.00023   0.00351   0.00469   0.00825   2.27339
   D96        2.86617  -0.00011   0.00210   0.00153   0.00361   2.86978
   D97        0.58106  -0.00004   0.00423   0.00167   0.00596   0.58702
   D98       -1.24231  -0.00004   0.00257   0.00142   0.00399  -1.23833
   D99        0.86404  -0.00007  -0.00620  -0.00022  -0.00635   0.85769
   D100      -1.42108  -0.00000  -0.00408  -0.00008  -0.00400  -1.42508
   D101       3.03874   0.00000  -0.00573  -0.00033  -0.00598   3.03276
   D102      -1.04106  -0.00008  -0.01264  -0.00191  -0.01451  -1.05556
   D103      -1.65094  -0.00015  -0.00833  -0.00203  -0.01035  -1.66130
   D104       1.05883  -0.00025  -0.00827  -0.00337  -0.01164   1.04719
   D105       0.44894  -0.00032  -0.00396  -0.00350  -0.00749   0.44145
   D106       0.02772  -0.00003  -0.00050  -0.00122  -0.00170   0.02602
   D107      -3.10936   0.00007  -0.00026   0.00111   0.00084  -3.10852
   D108       3.11576  -0.00009  -0.00026  -0.00214  -0.00237   3.11339
   D109      -0.02132   0.00001  -0.00002   0.00018   0.00018  -0.02115
   D110       3.10683  -0.00004  -0.00027  -0.00020  -0.00049   3.10634
   D111      -0.01937  -0.00014   0.00084  -0.00313  -0.00231  -0.02168
   D112       0.02153   0.00001  -0.00048   0.00071   0.00022   0.02175
   D113      -3.10467  -0.00009   0.00062  -0.00222  -0.00160  -3.10627
   D114      -0.04785   0.00011   0.00123   0.00335   0.00459  -0.04326
   D115       3.08934   0.00001   0.00099   0.00109   0.00212   3.09145
   D116       0.00440  -0.00001   0.00041  -0.00041  -0.00000   0.00440
   D117       3.12197  -0.00006   0.00010  -0.00096  -0.00087   3.12110
   D118      -3.13291   0.00009   0.00064   0.00179   0.00241  -3.13050
   D119      -0.01534   0.00003   0.00033   0.00124   0.00154  -0.01380
   D120      -0.00485  -0.00003   0.00064  -0.00144  -0.00080  -0.00564
   D121       3.12252  -0.00011   0.00095  -0.00230  -0.00135   3.12116
   D122       3.12159   0.00007  -0.00043   0.00145   0.00101   3.12260
   D123      -0.03423  -0.00001  -0.00011   0.00059   0.00045  -0.03377
   D124      -0.01221   0.00004  -0.00028   0.00119   0.00091  -0.01130
   D125       3.13393   0.00004  -0.00096   0.00206   0.00110   3.13503
   D126      -3.13947   0.00012  -0.00057   0.00206   0.00148  -3.13799
   D127       0.00667   0.00012  -0.00125   0.00294   0.00167   0.00834
   D128       0.01229  -0.00002  -0.00024  -0.00026  -0.00051   0.01178
   D129      -3.10408   0.00004   0.00011   0.00031   0.00039  -3.10369
   D130      -3.13387  -0.00002   0.00044  -0.00113  -0.00070  -3.13456
   D131       0.03295   0.00004   0.00079  -0.00056   0.00020   0.03315
   D132       0.64276  -0.00010   0.02433  -0.00598   0.01835   0.66111
   D133      -2.49922  -0.00010   0.02361  -0.00564   0.01797  -2.48125
   D134      -2.49409  -0.00009   0.02362  -0.00507   0.01855  -2.47554
   D135       0.64711  -0.00010   0.02290  -0.00473   0.01817   0.66528
   D136      -3.13148  -0.00000   0.00200  -0.00149   0.00052  -3.13096
   D137      -0.03185  -0.00009   0.00033  -0.00164  -0.00128  -0.03313
   D138       0.01055  -0.00001   0.00154  -0.00148   0.00007   0.01062
   D139       3.11018  -0.00010  -0.00013  -0.00162  -0.00173   3.10845
   D140      -3.13462  -0.00001  -0.00002  -0.00031  -0.00033  -3.13495
   D141      -0.03130  -0.00014  -0.00094  -0.00195  -0.00286  -0.03416
   D142       0.00653  -0.00000   0.00045  -0.00032   0.00012   0.00666
   D143       3.10986  -0.00013  -0.00048  -0.00196  -0.00241   3.10745
   D144      -3.13322   0.00000   0.00219  -0.00130   0.00090  -3.13232
   D145      -0.03877   0.00001   0.00184   0.00109   0.00293  -0.03584
   D146       0.01010   0.00001   0.00121  -0.00055   0.00067   0.01077
   D147       3.10455   0.00002   0.00086   0.00185   0.00271   3.10726
   D148      -3.13179  -0.00001   0.00020  -0.00079  -0.00060  -3.13239
   D149      -0.03661  -0.00007   0.00087  -0.00024   0.00066  -0.03595
   D150       0.00808  -0.00002   0.00117  -0.00155  -0.00038   0.00770
   D151       3.10326  -0.00008   0.00185  -0.00099   0.00088   3.10414
   D152       3.13209  -0.00000  -0.00141   0.00103  -0.00038   3.13171
   D153       0.03327   0.00004  -0.00100   0.00075  -0.00028   0.03299
   D154      -0.00912   0.00001  -0.00071   0.00070  -0.00001  -0.00913
   D155      -3.10794   0.00005  -0.00031   0.00042   0.00009  -3.10785
   D156       3.13561   0.00000  -0.00046   0.00049   0.00003   3.13564
   D157       0.03290   0.00007  -0.00090   0.00101   0.00009   0.03299
   D158      -0.00637  -0.00001  -0.00115   0.00082  -0.00034  -0.00670
   D159      -3.10907   0.00006  -0.00159   0.00134  -0.00027  -3.10935
   D160      -0.01876   0.00000  -0.00233   0.00205  -0.00028  -0.01904
   D161       3.09804   0.00004  -0.00233   0.00214  -0.00019   3.09785
   D162      -3.11331  -0.00002  -0.00194  -0.00037  -0.00230  -3.11561
   D163       0.00349   0.00002  -0.00194  -0.00029  -0.00222   0.00128
   D164       0.00914  -0.00002   0.00105  -0.00148  -0.00043   0.00870
   D165      -3.13282  -0.00001   0.00046  -0.00069  -0.00023  -3.13305
   D166      -3.10794  -0.00005   0.00101  -0.00152  -0.00050  -3.10844
   D167       0.03329  -0.00004   0.00042  -0.00074  -0.00030   0.03299
   D168       0.00877   0.00001   0.00131  -0.00059   0.00073   0.00951
   D169      -3.10770   0.00001   0.00054   0.00025   0.00081  -3.10689
   D170      -3.13246  -0.00000   0.00190  -0.00138   0.00053  -3.13192
   D171       0.03426  -0.00001   0.00113  -0.00054   0.00061   0.03487
   D172       0.93176  -0.00004  -0.00999   0.00092  -0.00907   0.92269
   D173      -2.20634  -0.00004  -0.00986   0.00098  -0.00888  -2.21522
   D174      -2.21020  -0.00003  -0.01058   0.00172  -0.00886  -2.21906
   D175       0.93488  -0.00003  -0.01045   0.00178  -0.00867   0.92621
   D176      -0.01754   0.00000  -0.00244   0.00212  -0.00033  -0.01786
   D177      -3.11269   0.00005  -0.00311   0.00150  -0.00158  -3.11427
   D178       3.09867   0.00002  -0.00170   0.00131  -0.00039   3.09828
   D179       0.00351   0.00006  -0.00236   0.00069  -0.00165   0.00187
   D180      -0.01804   0.00001  -0.00217   0.00199  -0.00018  -0.01822
   D181       3.10053   0.00002  -0.00212   0.00149  -0.00064   3.09989
   D182      -3.11769   0.00009  -0.00055   0.00213   0.00160  -3.11609
   D183       0.00088   0.00010  -0.00051   0.00162   0.00114   0.00202
   D184       0.00831  -0.00000   0.00078  -0.00070   0.00008   0.00839
   D185      -3.13258  -0.00000   0.00065  -0.00047   0.00018  -3.13240
   D186      -3.11052  -0.00001   0.00071  -0.00017   0.00055  -3.10996
   D187       0.03178  -0.00001   0.00058   0.00006   0.00065   0.03243
   D188       0.00851  -0.00001   0.00119  -0.00108   0.00012   0.00863
   D189      -3.11093   0.00000   0.00095   0.00009   0.00106  -3.10987
   D190      -3.13379  -0.00001   0.00132  -0.00131   0.00001  -3.13377
   D191       0.02996   0.00000   0.00108  -0.00014   0.00096   0.03091
   D192      -2.17482  -0.00015  -0.01172  -0.00203  -0.01376  -2.18858
   D193       0.97256  -0.00016  -0.01170  -0.00258  -0.01427   0.95828
   D194       0.96748  -0.00015  -0.01185  -0.00180  -0.01365   0.95382
   D195      -2.16833  -0.00016  -0.01183  -0.00234  -0.01417  -2.18250
   D196      -0.01607   0.00001  -0.00181   0.00159  -0.00022  -0.01629
   D197      -3.11944   0.00013  -0.00096   0.00322   0.00230  -3.11715
   D198       3.10311   0.00000  -0.00159   0.00044  -0.00115   3.10195
   D199      -0.00026   0.00012  -0.00074   0.00207   0.00136   0.00110
   D200       0.01637  -0.00000   0.00177  -0.00156   0.00022   0.01658
   D201      -3.10159  -0.00003   0.00158  -0.00103   0.00055  -3.10105
   D202       3.11533  -0.00004   0.00138  -0.00126   0.00011   3.11544
   D203      -0.00263  -0.00006   0.00118  -0.00073   0.00043  -0.00219
   D204      -0.00802   0.00000  -0.00097   0.00091  -0.00006  -0.00808
   D205       3.13343   0.00000  -0.00073   0.00092   0.00019   3.13362
   D206       3.11021   0.00002  -0.00075   0.00035  -0.00041   3.10980
   D207      -0.03153   0.00002  -0.00050   0.00036  -0.00016  -0.03168
   D208      -0.00723  -0.00000  -0.00087   0.00059  -0.00029  -0.00752
   D209       3.11117   0.00001  -0.00003  -0.00021  -0.00025   3.11092
   D210       3.13450  -0.00001  -0.00111   0.00058  -0.00054   3.13397
   D211      -0.03028   0.00001  -0.00027  -0.00022  -0.00050  -0.03078
   D212       2.18443   0.00011   0.01126   0.00098   0.01224   2.19667
   D213      -0.95555   0.00011   0.01127   0.00113   0.01239  -0.94316
   D214      -0.95731   0.00012   0.01151   0.00098   0.01249  -0.94482
   D215       2.18589   0.00012   0.01151   0.00113   0.01265   2.19854
   D216       0.01456   0.00001   0.00195  -0.00146   0.00049   0.01505
   D217       3.11728  -0.00005   0.00241  -0.00195   0.00044   3.11772
   D218      -3.10360  -0.00001   0.00113  -0.00069   0.00044  -3.10315
   D219      -0.00087  -0.00007   0.00158  -0.00118   0.00038  -0.00048
   D220      -3.13753  -0.00001  -0.00017  -0.00027  -0.00045  -3.13798
   D221       0.03598  -0.00002   0.00188  -0.00077   0.00111   0.03709
   D222      -0.00088   0.00000  -0.00020   0.00019  -0.00001  -0.00089
   D223      -3.11055  -0.00001   0.00186  -0.00031   0.00155  -3.10900
   D224       3.13582   0.00002  -0.00003   0.00049   0.00046   3.13628
   D225       0.02582  -0.00001   0.00177  -0.00038   0.00138   0.02720
   D226      -0.00083   0.00000  -0.00001   0.00002   0.00002  -0.00081
   D227      -3.11083  -0.00002   0.00179  -0.00085   0.00094  -3.10989
   D228      -3.13935  -0.00000  -0.00001  -0.00004  -0.00006  -3.13941
   D229       0.03830  -0.00002   0.00219  -0.00085   0.00134   0.03964
   D230      -0.00074  -0.00000  -0.00012  -0.00010  -0.00022  -0.00096
   D231      -3.10627  -0.00002   0.00208  -0.00090   0.00118  -3.10510
   D232       3.13748   0.00001  -0.00020   0.00021   0.00002   3.13750
   D233       0.03114  -0.00000   0.00207  -0.00047   0.00160   0.03275
   D234      -0.00113   0.00001  -0.00009   0.00027   0.00018  -0.00095
   D235      -3.10747  -0.00000   0.00218  -0.00042   0.00177  -3.10570
   D236      -3.13924  -0.00000   0.00020  -0.00008   0.00012  -3.13912
   D237      -0.03067   0.00002  -0.00209   0.00082  -0.00127  -0.03193
   D238       0.00097  -0.00000   0.00020  -0.00021  -0.00001   0.00096
   D239       3.10955   0.00002  -0.00209   0.00069  -0.00140   3.10815
   D240       3.14107  -0.00001   0.00001  -0.00013  -0.00012   3.14096
   D241      -0.03368   0.00001  -0.00206   0.00068  -0.00138  -0.03505
   D242       0.00086  -0.00000   0.00001   0.00000   0.00001   0.00087
   D243       3.10929   0.00001  -0.00205   0.00080  -0.00125   3.10804
   D244       0.00226  -0.00001   0.00028  -0.00011   0.00017   0.00243
   D245      -3.13129   0.00003   0.00017   0.00073   0.00090  -3.13038
   D246       3.11114   0.00002  -0.00172   0.00065  -0.00106   3.11008
   D247      -0.02241   0.00006  -0.00183   0.00149  -0.00034  -0.02274
   D248       3.12190  -0.00001  -0.00095  -0.00015  -0.00110   3.12080
   D249      -0.01009  -0.00004  -0.00185  -0.00002  -0.00188  -0.01196
   D250       0.02037  -0.00003   0.00149  -0.00106   0.00043   0.02080
   D251      -3.11162  -0.00006   0.00059  -0.00093  -0.00034  -3.11197
   D252      -0.00290   0.00001  -0.00032   0.00026  -0.00006  -0.00296
   D253       3.12985  -0.00004  -0.00030  -0.00094  -0.00124   3.12860
   D254       3.12903  -0.00003  -0.00019  -0.00074  -0.00093   3.12809
   D255      -0.02141  -0.00008  -0.00017  -0.00194  -0.00211  -0.02352
   D256       0.00797  -0.00003   0.00109  -0.00091   0.00018   0.00815
   D257      -3.13961  -0.00003   0.00028  -0.00056  -0.00028  -3.13989
   D258      -3.12300   0.00002   0.00094   0.00019   0.00114  -3.12186
   D259       0.01260   0.00002   0.00014   0.00054   0.00068   0.01328
   D260       0.00250  -0.00001   0.00025  -0.00033  -0.00007   0.00243
   D261       3.11211   0.00001  -0.00180   0.00032  -0.00148   3.11063
   D262      -3.13173   0.00003   0.00024   0.00068   0.00091  -3.13081
   D263      -0.02212   0.00005  -0.00182   0.00133  -0.00049  -0.02261
   D264      -3.12384   0.00003   0.00113   0.00040   0.00154  -3.12231
   D265       0.01212   0.00003   0.00016   0.00083   0.00099   0.01310
   D266       0.00803  -0.00003   0.00116  -0.00092   0.00024   0.00826
   D267      -3.13920  -0.00003   0.00018  -0.00050  -0.00031  -3.13951
   D268       3.12246  -0.00001  -0.00110  -0.00009  -0.00119   3.12127
   D269      -0.01072  -0.00004  -0.00188   0.00009  -0.00178  -0.01250
   D270       0.02004  -0.00003   0.00141  -0.00086   0.00055   0.02059
   D271      -3.11315  -0.00006   0.00064  -0.00068  -0.00004  -3.11319
   D272       0.00219  -0.00001   0.00032  -0.00032  -0.00000   0.00218
   D273      -3.13284   0.00003   0.00038   0.00077   0.00115  -3.13169
   D274       3.11479   0.00001  -0.00156   0.00016  -0.00139   3.11339
   D275      -0.02024   0.00006  -0.00149   0.00125  -0.00024  -0.02048
   D276       3.12435  -0.00002  -0.00108  -0.00029  -0.00137   3.12298
   D277      -0.00841  -0.00004  -0.00197  -0.00001  -0.00198  -0.01039
   D278       0.01823  -0.00004   0.00121  -0.00086   0.00035   0.01858
   D279      -3.11453  -0.00006   0.00032  -0.00058  -0.00026  -3.11479
   D280      -0.00264   0.00001  -0.00032   0.00033   0.00001  -0.00263
   D281       3.13087  -0.00003  -0.00032  -0.00043  -0.00076   3.13010
   D282       3.13104  -0.00004  -0.00039  -0.00097  -0.00137   3.12967
   D283      -0.01863  -0.00008  -0.00040  -0.00174  -0.00214  -0.02078
   D284       0.00737  -0.00003   0.00095  -0.00082   0.00013   0.00750
   D285      -3.13984  -0.00003  -0.00001  -0.00044  -0.00045  -3.14029
   D286      -3.12553   0.00003   0.00103   0.00061   0.00165  -3.12388
   D287       0.01045   0.00003   0.00008   0.00099   0.00107   0.01151
   D288       0.00216  -0.00001   0.00020  -0.00022  -0.00002   0.00214
   D289       3.11506   0.00002  -0.00145   0.00061  -0.00084   3.11422
   D290      -3.13272   0.00002   0.00021   0.00042   0.00063  -3.13209
   D291      -0.01982   0.00006  -0.00143   0.00125  -0.00019  -0.02001
   D292      -3.12525   0.00001   0.00090  -0.00012   0.00077  -3.12448
   D293       0.01116   0.00002   0.00016   0.00039   0.00055   0.01170
   D294       0.00746  -0.00003   0.00088  -0.00097  -0.00008   0.00738
   D295      -3.13932  -0.00003   0.00014  -0.00045  -0.00030  -3.13962
   D296       3.12425   0.00000  -0.00080   0.00025  -0.00054   3.12370
   D297      -0.01047  -0.00002  -0.00188   0.00052  -0.00135  -0.01182
   D298       0.01776  -0.00003   0.00121  -0.00074   0.00047   0.01823
   D299      -3.11696  -0.00006   0.00013  -0.00047  -0.00033  -3.11729
   D300      -0.00237   0.00001  -0.00032   0.00032   0.00000  -0.00236
   D301       3.13237  -0.00003  -0.00043  -0.00059  -0.00102   3.13135
   D302      -3.11398  -0.00002   0.00177  -0.00053   0.00124  -3.11274
   D303       0.02076  -0.00006   0.00166  -0.00144   0.00022   0.02097
   D304      -3.12356   0.00001   0.00123  -0.00013   0.00110  -3.12245
   D305       0.01024   0.00004   0.00209  -0.00022   0.00187   0.01211
   D306      -0.01865   0.00004  -0.00132   0.00089  -0.00043  -0.01908
   D307       3.11515   0.00006  -0.00046   0.00080   0.00034   3.11549
   D308       0.00284  -0.00001   0.00032  -0.00032   0.00001   0.00285
   D309      -3.13034   0.00003   0.00030   0.00073   0.00103  -3.12931
   D310      -3.13051   0.00004   0.00045   0.00078   0.00123  -3.12928
   D311       0.01949   0.00008   0.00043   0.00182   0.00226   0.02175
   D312      -0.00769   0.00003  -0.00105   0.00103  -0.00003  -0.00771
   D313       3.13932   0.00003  -0.00008   0.00049   0.00041   3.13973
   D314       3.12485  -0.00002  -0.00119  -0.00018  -0.00137   3.12347
   D315      -0.01133  -0.00003  -0.00022  -0.00071  -0.00094  -0.01227
   D316      -0.00229   0.00001  -0.00021   0.00020  -0.00001  -0.00231
   D317      -3.11379  -0.00002   0.00167  -0.00056   0.00111  -3.11268
   D318       3.13230  -0.00003  -0.00020  -0.00067  -0.00087   3.13143
   D319       0.02081  -0.00006   0.00168  -0.00143   0.00025   0.02106
   D320       3.12466  -0.00002  -0.00104  -0.00009  -0.00114   3.12352
   D321      -0.01125  -0.00003  -0.00020  -0.00061  -0.00081  -0.01206
   D322      -0.00769   0.00003  -0.00106   0.00105  -0.00001  -0.00770
   D323       3.13959   0.00003  -0.00022   0.00054   0.00032   3.13991
   D324      -3.12343   0.00000   0.00096  -0.00006   0.00090  -3.12253
   D325       0.00981   0.00003   0.00191  -0.00022   0.00169   0.01150
   D326      -0.01868   0.00003  -0.00133   0.00084  -0.00049  -0.01917
   D327       3.11456   0.00006  -0.00038   0.00069   0.00030   3.11486
   D328       0.00711  -0.00001  -0.00017   0.00012  -0.00006   0.00705
   D329      -3.13923  -0.00001   0.00104  -0.00090   0.00014  -3.13909
   D330      -3.12883  -0.00001   0.00080  -0.00031   0.00049  -3.12834
   D331       0.00801  -0.00002   0.00201  -0.00133   0.00068   0.00870
   D332      -0.00905   0.00003  -0.00022   0.00035   0.00013  -0.00892
   D333       3.13118  -0.00001  -0.00006  -0.00058  -0.00064   3.13054
   D334       3.13728   0.00004  -0.00142   0.00136  -0.00006   3.13722
   D335      -0.00568  -0.00000  -0.00126   0.00043  -0.00083  -0.00651
   D336      -0.00451  -0.00001  -0.00039   0.00001  -0.00038  -0.00489
   D337       3.12870   0.00001   0.00037  -0.00016   0.00022   3.12891
   D338       3.13844   0.00003  -0.00055   0.00094   0.00039   3.13882
   D339      -0.01154   0.00005   0.00021   0.00077   0.00098  -0.01056
   D340      -0.00455  -0.00001  -0.00047   0.00008  -0.00039  -0.00493
   D341       3.13932   0.00003  -0.00067   0.00095   0.00027   3.13960
   D342       3.12747   0.00001   0.00042  -0.00003   0.00039   3.12786
   D343      -0.01185   0.00005   0.00022   0.00083   0.00105  -0.01079
   D344      -0.00936   0.00003  -0.00022   0.00046   0.00024  -0.00912
   D345       3.13788   0.00003  -0.00144   0.00132  -0.00012   3.13775
   D346       3.12995  -0.00001  -0.00001  -0.00041  -0.00043   3.12952
   D347      -0.00600  -0.00000  -0.00124   0.00045  -0.00079  -0.00679
   D348       0.00746  -0.00001  -0.00010  -0.00003  -0.00013   0.00733
   D349      -3.12813  -0.00001   0.00071  -0.00038   0.00033  -3.12780
   D350      -3.13979  -0.00001   0.00113  -0.00089   0.00024  -3.13955
   D351       0.00780  -0.00001   0.00194  -0.00124   0.00069   0.00850
   D352       0.00603  -0.00001  -0.00018   0.00024   0.00006   0.00609
   D353      -3.13943  -0.00001   0.00111  -0.00084   0.00028  -3.13915
   D354      -3.13037  -0.00001   0.00056  -0.00028   0.00028  -3.13008
   D355       0.00736  -0.00002   0.00185  -0.00135   0.00050   0.00786
   D356      -0.00798   0.00003  -0.00003   0.00027   0.00024  -0.00773
   D357       3.13258  -0.00001   0.00012  -0.00068  -0.00056   3.13202
   D358       3.13747   0.00004  -0.00132   0.00134   0.00003   3.13750
   D359      -0.00515  -0.00000  -0.00117   0.00040  -0.00078  -0.00593
   D360      -0.00391  -0.00001  -0.00047  -0.00003  -0.00050  -0.00441
   D361       3.13082   0.00001   0.00060  -0.00029   0.00031   3.13113
   D362       3.13872   0.00003  -0.00062   0.00091   0.00030   3.13901
   D363      -0.00974   0.00005   0.00045   0.00065   0.00111  -0.00864
   D364      -0.00394  -0.00001  -0.00042   0.00007  -0.00035  -0.00429
   D365       3.13992   0.00003  -0.00054   0.00090   0.00036   3.14028
   D366       3.12883   0.00002   0.00046  -0.00021   0.00026   3.12909
   D367      -0.01049   0.00005   0.00034   0.00062   0.00097  -0.00952
   D368      -0.00844   0.00003  -0.00008   0.00032   0.00024  -0.00820
   D369       3.13822   0.00003  -0.00130   0.00125  -0.00004   3.13818
   D370       3.13087  -0.00000   0.00004  -0.00051  -0.00047   3.13040
   D371      -0.00565  -0.00000  -0.00118   0.00042  -0.00076  -0.00641
   D372       0.00655  -0.00001  -0.00019   0.00006  -0.00013   0.00642
   D373      -3.12942  -0.00001   0.00077  -0.00031   0.00045  -3.12896
   D374      -3.14013  -0.00001   0.00103  -0.00087   0.00016  -3.13996
   D375       0.00709  -0.00001   0.00199  -0.00125   0.00074   0.00784
   D376      -0.00659   0.00001   0.00017  -0.00015   0.00002  -0.00658
   D377       3.13976   0.00001  -0.00113   0.00083  -0.00030   3.13946
   D378       3.12930   0.00001  -0.00067   0.00036  -0.00032   3.12899
   D379      -0.00752   0.00002  -0.00197   0.00134  -0.00063  -0.00816
   D380       0.00860  -0.00003   0.00017  -0.00044  -0.00027   0.00833
   D381      -3.13132   0.00001  -0.00007   0.00056   0.00049  -3.13083
   D382      -3.13774  -0.00004   0.00146  -0.00142   0.00004  -3.13770
   D383       0.00553   0.00000   0.00123  -0.00042   0.00080   0.00633
   D384       0.00402   0.00001   0.00041   0.00010   0.00050   0.00453
   D385      -3.12923  -0.00001  -0.00053   0.00025  -0.00029  -3.12952
   D386      -3.13923  -0.00003   0.00064  -0.00090  -0.00025  -3.13949
   D387       0.01070  -0.00005  -0.00030  -0.00075  -0.00105   0.00965
   D388       0.00408   0.00001   0.00041   0.00005   0.00046   0.00454
   D389      -3.13872  -0.00003   0.00058  -0.00091  -0.00033  -3.13905
   D390      -3.12974  -0.00002  -0.00044   0.00013  -0.00031  -3.13004
   D391       0.01064  -0.00006  -0.00027  -0.00083  -0.00109   0.00955
   D392       0.00849  -0.00003   0.00014  -0.00042  -0.00028   0.00821
   D393      -3.13746  -0.00004   0.00140  -0.00138   0.00002  -3.13744
   D394      -3.13189   0.00001  -0.00003   0.00054   0.00051  -3.13137
   D395       0.00535   0.00000   0.00123  -0.00042   0.00081   0.00616
   D396      -0.00651   0.00001   0.00018  -0.00013   0.00005  -0.00646
   D397       3.12966   0.00001  -0.00079   0.00040  -0.00039   3.12927
   D398       3.13946   0.00001  -0.00108   0.00083  -0.00025   3.13921
   D399      -0.00756   0.00002  -0.00205   0.00137  -0.00068  -0.00825
   D400       1.56797   0.00036   0.01946   0.00833   0.02788   1.59585
   D401      -0.70248   0.00034   0.02083   0.00835   0.02931  -0.67317
   D402      -2.94883   0.00106   0.02214   0.01001   0.03221  -2.91662
   D403      -3.07271   0.00010  -0.00738   0.00078  -0.00666  -3.07936
   D404      -0.90602   0.00027  -0.00638   0.00060  -0.00577  -0.91179
   D405       1.34906  -0.00044  -0.00804  -0.00123  -0.00922   1.33983
   D406       2.70647  -0.00001  -0.01669  -0.00430  -0.02096   2.68551
   D407      -1.45361  -0.00016  -0.01746  -0.00538  -0.02271  -1.47632
   D408       0.56971   0.00026  -0.01520  -0.00352  -0.01871   0.55099
   D409       3.00751  -0.00002  -0.00588  -0.00045  -0.00633   3.00118
   D410      -1.16532  -0.00008  -0.00633  -0.00039  -0.00672  -1.17204
   D411       0.88982   0.00006  -0.00613   0.00026  -0.00588   0.88394
   D412       3.11164   0.00003  -0.00118   0.00055  -0.00059   3.11104
   D413      -1.08702   0.00004  -0.00081   0.00039  -0.00038  -1.08740
   D414       1.02932  -0.00001  -0.00112  -0.00010  -0.00118   1.02814
   D415       1.05432   0.00006   0.00007  -0.00013  -0.00018   1.05415
   D416       3.13885   0.00006   0.00044  -0.00029   0.00004   3.13888
   D417      -1.02800   0.00002   0.00013  -0.00078  -0.00076  -1.02876
   D418      -1.08730  -0.00005  -0.00110  -0.00009  -0.00111  -1.08841
   D419       0.99723  -0.00005  -0.00074  -0.00024  -0.00090   0.99633
   D420       3.11357  -0.00009  -0.00105  -0.00073  -0.00170   3.11187
   D421       1.44724  -0.00008  -0.02338  -0.00323  -0.02654   1.42070
   D422      -2.77737   0.00006  -0.02479  -0.00201  -0.02678  -2.80415
   D423      -0.58384  -0.00021  -0.02532  -0.00339  -0.02873  -0.61257
   D424      -1.49960   0.00006   0.02101   0.00158   0.02245  -1.47715
   D425       2.71028  -0.00001   0.02214   0.00082   0.02294   2.73322
   D426       0.51759   0.00020   0.02182   0.00276   0.02459   0.54218
   D427       1.04830  -0.00000  -0.00316   0.00133  -0.00184   1.04646
   D428       3.13727  -0.00000  -0.00314   0.00124  -0.00190   3.13537
   D429      -1.05785  -0.00000  -0.00303   0.00120  -0.00182  -1.05967
   D430      -1.02506  -0.00000  -0.00229   0.00078  -0.00152  -1.02657
   D431       1.06392  -0.00000  -0.00227   0.00069  -0.00158   1.06233
   D432      -3.13120  -0.00001  -0.00216   0.00065  -0.00151  -3.13271
   D433       3.12789   0.00001  -0.00296   0.00129  -0.00167   3.12622
   D434      -1.06632   0.00001  -0.00293   0.00120  -0.00173  -1.06805
   D435       1.02174   0.00001  -0.00282   0.00117  -0.00165   1.02009
   D436      -1.43040  -0.00009   0.02207   0.00575   0.02758  -1.40282
   D437      -1.35018   0.00005   0.01954   0.00601   0.02548  -1.32470
   D438       0.33807   0.00004   0.01291   0.00138   0.01411   0.35218
   D439       1.12639   0.00018   0.00513   0.00454   0.00967   1.13606
   D440       0.93855   0.00012   0.00165   0.00460   0.00637   0.94492
   D441      -0.32199  -0.00001  -0.01247  -0.00128  -0.01363  -0.33563
         Item               Value     Threshold  Converged?
 Maximum Force            0.001928     0.000450     NO 
 RMS     Force            0.000190     0.000300     YES
 Maximum Displacement     0.328367     0.001800     NO 
 RMS     Displacement     0.045830     0.001200     NO 
 Predicted change in Energy=-1.236651D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.723943    2.855574    0.366158
      2          6           0       -1.995025    1.487362    0.463243
      3          6           0       -0.972135    0.527655    0.464577
      4          6           0        0.365638    0.968616    0.401155
      5          6           0        0.644402    2.336406    0.270845
      6          6           0       -0.381548    3.266007    0.252371
      7          6           0       -1.239072   -0.919607    0.436017
      8          6           0       -0.180392   -1.846061    0.645407
      9          6           0        1.146905   -1.342484    1.010201
     10          6           0        1.469919    0.007953    0.520449
     11          6           0       -2.498777   -1.413879    0.076218
     12          6           0       -2.742429   -2.776812   -0.127368
     13          6           0       -1.657772   -3.663443   -0.020100
     14          6           0       -0.406618   -3.202716    0.350162
     15          7           0        2.204280   -2.215941    1.237815
     16          6           0        3.523116   -1.799077    0.910798
     17          6           0        3.711987   -0.490400    0.400800
     18          7           0        2.676727    0.396862    0.239465
     19          6           0        4.644168   -2.641862    1.004569
     20          6           0        5.899607   -2.188602    0.631255
     21          6           0        6.110816   -0.882763    0.140245
     22          6           0        4.997778   -0.057212    0.028792
     23          6           0       -2.824553    3.851116    0.384378
     24          6           0       -4.093298   -3.256978   -0.498570
     25          6           0        7.464449   -0.415974   -0.245710
     26          6           0       -4.268126   -4.275562   -1.450809
     27          6           0       -5.537654   -4.718490   -1.806981
     28          6           0       -6.672591   -4.165707   -1.198810
     29          6           0       -6.513751   -3.157756   -0.238847
     30          6           0       -5.241292   -2.705608    0.095567
     31          6           0       -2.684399    5.068589    1.071661
     32          6           0       -3.716409    6.001411    1.103710
     33          6           0       -4.915317    5.747357    0.426020
     34          6           0       -5.066536    4.543514   -0.273199
     35          6           0       -4.036692    3.607678   -0.282891
     36          6           0        8.372731   -1.274676   -0.886988
     37          6           0        9.639220   -0.835894   -1.260653
     38          6           0       10.039140    0.477252   -0.982366
     39          6           0        9.148263    1.342482   -0.334664
     40          6           0        7.877040    0.900655    0.018704
     41          7           0       -5.966550    6.700922    0.446719
     42          7           0       -7.967614   -4.621832   -1.551713
     43          7           0       11.332973    0.925772   -1.352948
     44          6           0       -8.397143   -5.956617   -1.549195
     45          6           0       -9.751613   -6.004617   -1.964729
     46          6           0      -10.158615   -4.641114   -2.233369
     47          6           0       -9.037265   -3.815811   -1.967094
     48          6           0       -7.287339    6.457103    0.845295
     49          6           0       -8.034633    7.655599    0.720326
     50          6           0       -7.126563    8.667382    0.221696
     51          6           0       -5.861923    8.045279    0.066401
     52          6           0       11.618076    2.058065   -2.128358
     53          6           0       13.023090    2.168563   -2.281995
     54          6           0       13.613615    1.056942   -1.566068
     55          6           0       12.544491    0.311464   -1.008059
     56          6           0      -11.351890   -4.060835   -2.678272
     57          6           0      -11.409126   -2.682260   -2.859823
     58          6           0      -10.282657   -1.881343   -2.608802
     59          6           0       -9.083212   -2.433035   -2.163315
     60          6           0       -7.705139   -7.111317   -1.174382
     61          6           0       -8.384668   -8.325675   -1.245922
     62          6           0       -9.721116   -8.393654   -1.673339
     63          6           0      -10.409892   -7.237917   -2.029184
     64          6           0       -7.274445   10.019236   -0.109211
     65          6           0       -6.175783   10.723115   -0.593274
     66          6           0       -4.934060   10.086220   -0.756073
     67          6           0       -4.758562    8.742361   -0.432862
     68          6           0       -7.862642    5.282621    1.337535
     69          6           0       -9.211607    5.318536    1.684254
     70          6           0       -9.971572    6.492754    1.551102
     71          6           0       -9.388712    7.663109    1.074272
     72          6           0       14.931898    0.641939   -1.345616
     73          6           0       15.165871   -0.491898   -0.573260
     74          6           0       14.095030   -1.208768   -0.013709
     75          6           0       12.773185   -0.818802   -0.218868
     76          6           0       10.741594    2.964197   -2.731115
     77          6           0       11.295882    4.003156   -3.475887
     78          6           0       12.686425    4.137816   -3.624442
     79          6           0       13.553296    3.223048   -3.034141
     80          8           0        0.637432   -3.691825    2.981197
     81         15           0        1.988969   -3.543536    2.418832
     82          8           0        3.192818   -3.364737    3.447975
     83          8           0        2.519042   -4.749630    1.491273
     84          6           0        3.056653   -2.558369    4.672842
     85          6           0        4.048976   -3.098588    5.679876
     86          6           0        2.457476   -6.107445    2.024437
     87          6           0        2.818081   -7.061121    0.903898
     88          1           0       -3.025796    1.173670    0.578991
     89          1           0        1.680702    2.645534    0.204994
     90          1           0       -0.151366    4.321576    0.147782
     91          1           0       -3.303768   -0.716768   -0.121883
     92          1           0       -1.803462   -4.721364   -0.211934
     93          1           0        0.416161   -3.903671    0.370163
     94          1           0        4.539506   -3.656033    1.356485
     95          1           0        6.745355   -2.860942    0.735372
     96          1           0        5.074049    0.947285   -0.372673
     97          1           0       -3.399815   -4.696374   -1.948465
     98          1           0       -5.660155   -5.477027   -2.572750
     99          1           0       -7.388860   -2.751177    0.256736
    100          1           0       -5.130483   -1.942145    0.859401
    101          1           0       -1.769896    5.268460    1.621296
    102          1           0       -3.609228    6.920500    1.670153
    103          1           0       -5.983381    4.358587   -0.823027
    104          1           0       -4.159466    2.688930   -0.848197
    105          1           0        8.069441   -2.288024   -1.132014
    106          1           0       10.316918   -1.498367   -1.788704
    107          1           0        9.466202    2.351066   -0.092542
    108          1           0        7.205191    1.575332    0.540201
    109          1           0      -12.219731   -4.680751   -2.884375
    110          1           0      -12.329744   -2.220075   -3.202304
    111          1           0      -10.343740   -0.808525   -2.766172
    112          1           0       -8.214968   -1.809157   -1.983109
    113          1           0       -6.677576   -7.066095   -0.831363
    114          1           0       -7.867281   -9.237246   -0.961608
    115          1           0      -10.220343   -9.356457   -1.721007
    116          1           0      -11.447192   -7.289933   -2.347359
    117          1           0       -8.236627   10.510094    0.006128
    118          1           0       -6.277568   11.772722   -0.851194
    119          1           0       -4.090779   10.650294   -1.143685
    120          1           0       -3.799883    8.254594   -0.570072
    121          1           0       -7.279130    4.376066    1.453646
    122          1           0       -9.682107    4.418076    2.068101
    123          1           0      -11.021405    6.485759    1.827422
    124          1           0       -9.974530    8.573323    0.982860
    125          1           0       15.761169    1.202133   -1.768063
    126          1           0       16.184007   -0.824776   -0.396892
    127          1           0       14.298377   -2.085307    0.594465
    128          1           0       11.952304   -1.370642    0.225409
    129          1           0        9.666975    2.860823   -2.629874
    130          1           0       10.635339    4.721729   -3.952124
    131          1           0       13.085701    4.961277   -4.208381
    132          1           0       14.627834    3.321606   -3.159153
    133          1           0        3.251869   -1.520769    4.398389
    134          1           0        2.023079   -2.625090    5.015427
    135          1           0        3.995959   -2.499742    6.594613
    136          1           0        3.825382   -4.138062    5.936387
    137          1           0        5.070932   -3.044646    5.293938
    138          1           0        3.162170   -6.180895    2.859208
    139          1           0        1.446489   -6.285980    2.402126
    140          1           0        3.824605   -6.860066    0.527005
    141          1           0        2.787305   -8.090597    1.273910
    142          1           0        2.112352   -6.971302    0.073698
    143         17           0        0.827851   -0.370805    3.234807
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0185204           0.0073558           0.0057009
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13524.2462371264 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.48D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000061    0.000120   -0.000676 Ang=  -0.08 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.67930328     A.U. after   12 cycles
            NFock= 12  Conv=0.63D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000804801    0.000354732    0.000022675
      2        6           0.000410890   -0.000037642   -0.000348037
      3        6          -0.000348387   -0.000169007   -0.000178803
      4        6           0.000248944    0.000273133    0.000116068
      5        6           0.000159462   -0.000439880    0.000016230
      6        6          -0.000138030    0.000137532    0.000334770
      7        6          -0.000046399   -0.000339682    0.000124835
      8        6          -0.001132316   -0.000550207   -0.001507902
      9        6          -0.000834204    0.000325158    0.003406399
     10        6           0.000616841    0.001503806   -0.000958747
     11        6           0.000164575    0.000058220    0.000287054
     12        6           0.000114975   -0.000041673   -0.000042475
     13        6          -0.000338282   -0.000080944   -0.000348558
     14        6           0.000282203    0.000501720   -0.000111277
     15        7           0.001051343   -0.001206127   -0.000758645
     16        6           0.000469716    0.000416104   -0.000117032
     17        6           0.001368950   -0.000507232    0.000348595
     18        7          -0.001519817    0.000241606   -0.000555599
     19        6          -0.000674042   -0.000085580   -0.000185273
     20        6           0.000243334    0.000213315   -0.000440577
     21        6           0.000472751   -0.000128623    0.000022127
     22        6          -0.000454195   -0.000091086    0.000341705
     23        6           0.000742905   -0.000329690   -0.000034149
     24        6          -0.000022878   -0.000024091    0.000051450
     25        6          -0.000350674   -0.000197663    0.000058461
     26        6           0.000100291   -0.000048407    0.000354036
     27        6          -0.000101379    0.000115628    0.000004375
     28        6          -0.000433669   -0.000371044   -0.000230744
     29        6           0.000139513   -0.000047146    0.000054649
     30        6           0.000008574    0.000245587   -0.000369225
     31        6           0.000022143    0.000173699   -0.000253439
     32        6           0.000101530   -0.000088686   -0.000046122
     33        6          -0.000826213    0.000425278    0.000054392
     34        6           0.000161832   -0.000049134    0.000036838
     35        6          -0.000176677   -0.000152699    0.000310271
     36        6           0.000073713   -0.000032764    0.000285153
     37        6          -0.000100480    0.000058566    0.000022614
     38        6           0.000616665    0.000368630   -0.000181592
     39        6          -0.000097103   -0.000129846    0.000030085
     40        6          -0.000060314    0.000060146   -0.000352458
     41        7          -0.000054780    0.000006934   -0.000048457
     42        7          -0.000308862   -0.000245613   -0.000142735
     43        7           0.000212250    0.000159974   -0.000040319
     44        6           0.000121540    0.000790523    0.000301030
     45        6           0.000014380   -0.000122547   -0.000282246
     46        6          -0.000228464   -0.000029620    0.000211243
     47        6           0.000816296   -0.000071019    0.000089915
     48        6           0.000689107    0.000188514   -0.000093558
     49        6          -0.000174290   -0.000101938   -0.000234158
     50        6          -0.000033939    0.000196558    0.000220310
     51        6           0.000312920   -0.000664396    0.000089755
     52        6          -0.000154872   -0.000731862    0.000265504
     53        6           0.000016728    0.000257087    0.000167995
     54        6           0.000188465   -0.000106388   -0.000218736
     55        6          -0.000799975    0.000037402   -0.000027553
     56        6           0.000003383   -0.000005335   -0.000153951
     57        6          -0.000137822   -0.000155404   -0.000005851
     58        6           0.000220760    0.000183008    0.000158209
     59        6          -0.000183493   -0.000015497   -0.000095655
     60        6          -0.000088371   -0.000190553   -0.000025965
     61        6           0.000282282    0.000174044    0.000042859
     62        6          -0.000161001   -0.000063514   -0.000105964
     63        6          -0.000070174   -0.000043488    0.000109948
     64        6          -0.000058832   -0.000003141   -0.000125229
     65        6          -0.000181979    0.000046755    0.000067535
     66        6           0.000294464   -0.000101247    0.000044017
     67        6          -0.000131900    0.000167375   -0.000038873
     68        6          -0.000208263    0.000001132    0.000054585
     69        6           0.000265400   -0.000156816   -0.000053634
     70        6          -0.000150283    0.000113816   -0.000051747
     71        6          -0.000031954    0.000045820    0.000147625
     72        6           0.000026572    0.000085070    0.000116014
     73        6           0.000125303    0.000119818   -0.000107119
     74        6          -0.000234429   -0.000226304    0.000021412
     75        6           0.000213042    0.000050351    0.000027279
     76        6           0.000089700    0.000177029   -0.000110621
     77        6          -0.000270887   -0.000147627    0.000119542
     78        6           0.000176275    0.000100431    0.000027539
     79        6           0.000044202   -0.000029741   -0.000139444
     80        8          -0.000179649   -0.000127948    0.000092628
     81       15          -0.000008269    0.000831574   -0.000136411
     82        8          -0.000073114    0.000948487    0.000570484
     83        8           0.000221436   -0.000154881    0.000141373
     84        6          -0.000305368   -0.000525965   -0.001029470
     85        6          -0.000068012    0.000143504    0.000155618
     86        6          -0.000174346    0.000233366    0.000174123
     87        6           0.000018580    0.000000057    0.000006058
     88        1           0.000036844   -0.000089285    0.000230867
     89        1          -0.000064100    0.000139767    0.000026964
     90        1           0.000155011   -0.000023631   -0.000173222
     91        1           0.000039246    0.000075390    0.000016624
     92        1           0.000201845    0.000102703   -0.000003891
     93        1          -0.000165346   -0.000126654    0.000138087
     94        1          -0.000002827   -0.000167066    0.000199623
     95        1          -0.000097929   -0.000080913    0.000164580
     96        1          -0.000045066   -0.000025551   -0.000003040
     97        1          -0.000149851   -0.000125449   -0.000113855
     98        1           0.000154459    0.000036486    0.000079721
     99        1           0.000096175    0.000128696    0.000029594
    100        1          -0.000170583   -0.000152461    0.000058575
    101        1          -0.000131449    0.000008257    0.000117082
    102        1           0.000166135   -0.000026264   -0.000044868
    103        1           0.000122592   -0.000110105    0.000034582
    104        1          -0.000077078    0.000113417   -0.000146412
    105        1           0.000102363    0.000072370   -0.000107814
    106        1          -0.000100388   -0.000119818    0.000076202
    107        1          -0.000144154   -0.000075521    0.000007938
    108        1           0.000125005    0.000102407    0.000084278
    109        1          -0.000026580    0.000024593    0.000021180
    110        1           0.000017526   -0.000004437   -0.000045106
    111        1          -0.000011333   -0.000021781   -0.000032171
    112        1          -0.000112963    0.000012315    0.000017572
    113        1          -0.000010045   -0.000104610   -0.000056136
    114        1          -0.000037811   -0.000013994    0.000011774
    115        1          -0.000020204    0.000001033    0.000042514
    116        1           0.000026282   -0.000027609   -0.000015828
    117        1           0.000017380    0.000033201    0.000009271
    118        1          -0.000011236   -0.000016038   -0.000043115
    119        1          -0.000035335   -0.000001982   -0.000022847
    120        1          -0.000052653    0.000127025    0.000005968
    121        1          -0.000121596   -0.000045918   -0.000017063
    122        1          -0.000018728    0.000026270    0.000019495
    123        1           0.000005967    0.000017226    0.000038646
    124        1          -0.000014974   -0.000035357   -0.000020652
    125        1           0.000022268   -0.000032862   -0.000005521
    126        1          -0.000008454    0.000029338    0.000038005
    127        1           0.000016836    0.000037391    0.000012043
    128        1           0.000124016   -0.000019948   -0.000015451
    129        1           0.000019936    0.000123257   -0.000019277
    130        1           0.000034234    0.000000016   -0.000026538
    131        1           0.000013018   -0.000026039   -0.000038691
    132        1          -0.000023940    0.000035081    0.000006925
    133        1           0.000386120    0.000199590    0.000250485
    134        1           0.000118672   -0.000467708    0.000410147
    135        1           0.000007057   -0.000024638   -0.000010936
    136        1           0.000026639   -0.000027182    0.000002773
    137        1           0.000023882   -0.000034672    0.000005292
    138        1           0.000041852   -0.000011209   -0.000051258
    139        1           0.000013293   -0.000019384   -0.000061500
    140        1           0.000006681   -0.000015021   -0.000007684
    141        1          -0.000002757   -0.000014126   -0.000008676
    142        1           0.000004781   -0.000001426   -0.000003000
    143       17           0.000540216   -0.000718962   -0.000479283
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003406399 RMS     0.000334536

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001516829 RMS     0.000158386
 Search for a local minimum.
 Step number  15 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   13   14   15
 DE= -2.60D-04 DEPred=-1.24D-04 R= 2.10D+00
 TightC=F SS=  1.41D+00  RLast= 1.96D-01 DXNew= 4.0363D+00 5.8795D-01
 Trust test= 2.10D+00 RLast= 1.96D-01 DXMaxT set to 2.40D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00254   0.00418   0.00421   0.00823   0.01337
     Eigenvalues ---    0.01610   0.01706   0.01896   0.02497   0.02591
     Eigenvalues ---    0.02607   0.02661   0.02685   0.02702   0.02708
     Eigenvalues ---    0.02710   0.02713   0.02714   0.02721   0.02725
     Eigenvalues ---    0.02728   0.02729   0.02732   0.02741   0.02758
     Eigenvalues ---    0.02769   0.02770   0.02773   0.02774   0.02775
     Eigenvalues ---    0.02775   0.02783   0.02784   0.02786   0.02789
     Eigenvalues ---    0.02790   0.02791   0.02791   0.02792   0.02792
     Eigenvalues ---    0.02793   0.02793   0.02794   0.02798   0.02801
     Eigenvalues ---    0.02801   0.02803   0.02803   0.02804   0.02806
     Eigenvalues ---    0.02807   0.02807   0.02808   0.02808   0.02810
     Eigenvalues ---    0.02811   0.02811   0.02812   0.02817   0.02817
     Eigenvalues ---    0.02818   0.02818   0.02819   0.02819   0.02820
     Eigenvalues ---    0.02826   0.02831   0.02838   0.02844   0.02844
     Eigenvalues ---    0.02845   0.02845   0.02846   0.02847   0.02849
     Eigenvalues ---    0.02852   0.02855   0.02862   0.02868   0.02868
     Eigenvalues ---    0.02869   0.02871   0.02872   0.02873   0.02876
     Eigenvalues ---    0.02877   0.02878   0.02878   0.02878   0.02879
     Eigenvalues ---    0.02881   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02886   0.02886   0.02887
     Eigenvalues ---    0.02891   0.02892   0.02895   0.02897   0.02898
     Eigenvalues ---    0.02898   0.02899   0.02899   0.02900   0.02903
     Eigenvalues ---    0.02908   0.02909   0.02922   0.02933   0.02942
     Eigenvalues ---    0.02942   0.03023   0.03024   0.03025   0.03061
     Eigenvalues ---    0.03073   0.03133   0.03133   0.03134   0.03142
     Eigenvalues ---    0.03148   0.03181   0.03251   0.03436   0.03742
     Eigenvalues ---    0.04290   0.04761   0.04944   0.05373   0.05524
     Eigenvalues ---    0.05557   0.05574   0.05615   0.05731   0.05767
     Eigenvalues ---    0.07261   0.08814   0.09274   0.10510   0.11436
     Eigenvalues ---    0.11525   0.12038   0.12926   0.13662   0.15191
     Eigenvalues ---    0.15669   0.15806   0.15958   0.15976   0.15986
     Eigenvalues ---    0.15986   0.15988   0.15989   0.15992   0.15994
     Eigenvalues ---    0.15995   0.15996   0.15996   0.15997   0.15997
     Eigenvalues ---    0.15997   0.15998   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16003
     Eigenvalues ---    0.16006   0.16012   0.16030   0.16041   0.16108
     Eigenvalues ---    0.16382   0.17298   0.18080   0.18896   0.20798
     Eigenvalues ---    0.21074   0.21988   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22002   0.22002
     Eigenvalues ---    0.22041   0.22417   0.22462   0.22520   0.22601
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22602   0.22697
     Eigenvalues ---    0.22964   0.22968   0.23015   0.23374   0.23489
     Eigenvalues ---    0.23544   0.23674   0.23918   0.23999   0.24011
     Eigenvalues ---    0.24191   0.24485   0.24487   0.24489   0.24533
     Eigenvalues ---    0.24535   0.24547   0.24757   0.24926   0.24982
     Eigenvalues ---    0.24984   0.24985   0.24985   0.24987   0.24988
     Eigenvalues ---    0.24997   0.24998   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25001   0.25006   0.25022
     Eigenvalues ---    0.25058   0.25184   0.25508   0.26422   0.27955
     Eigenvalues ---    0.28479   0.29094   0.29763   0.29788   0.30606
     Eigenvalues ---    0.32015   0.32098   0.32128   0.32141   0.32147
     Eigenvalues ---    0.32150   0.32177   0.32218   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33293   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33460   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33584   0.33586   0.33595   0.33633   0.33636
     Eigenvalues ---    0.33639   0.33643   0.33647   0.33664   0.33699
     Eigenvalues ---    0.33722   0.33741   0.33819   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33897   0.33921   0.33941
     Eigenvalues ---    0.33947   0.33954   0.33959   0.34373   0.34475
     Eigenvalues ---    0.34820   0.34920   0.35058   0.38724   0.41608
     Eigenvalues ---    0.42828   0.43717   0.44430   0.44436   0.44440
     Eigenvalues ---    0.44485   0.46003   0.47638   0.48733   0.48966
     Eigenvalues ---    0.48974   0.49274   0.49517   0.49665   0.49813
     Eigenvalues ---    0.49830   0.49865   0.49917   0.49962   0.50028
     Eigenvalues ---    0.50207   0.50253   0.50381   0.50405   0.50410
     Eigenvalues ---    0.50610   0.50614   0.50619   0.51530   0.51787
     Eigenvalues ---    0.52178   0.52470   0.52795   0.52917   0.53539
     Eigenvalues ---    0.54091   0.54112   0.54199   0.54200   0.54205
     Eigenvalues ---    0.54373   0.54532   0.55096   0.55139   0.55321
     Eigenvalues ---    0.55344   0.55349   0.55369   0.55389   0.55412
     Eigenvalues ---    0.55481   0.55503   0.55527   0.55601   0.55693
     Eigenvalues ---    0.55703   0.55710   0.55760   0.55939   0.55947
     Eigenvalues ---    0.56016   0.56147   0.56152   0.56153   0.56248
     Eigenvalues ---    0.56272   0.56308   0.56372   0.56662   0.56664
     Eigenvalues ---    0.56670   0.56672   0.56681   0.56687   0.56830
     Eigenvalues ---    0.56901   0.56915   0.56957   0.57136   0.57174
     Eigenvalues ---    0.57179   0.57190   0.57195   0.57210   0.57615
     Eigenvalues ---    0.61802   0.62662   0.66055   0.66065   0.67645
     Eigenvalues ---    0.67657   0.67660   0.69235   0.70035   0.70089
     Eigenvalues ---    0.73453   0.77103   0.80017
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    15   14   13   12   11   10    9
 RFO step:  Lambda=-4.29802609D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    2.54054   -1.00924   -0.48662   -0.26091   -0.10566
                  RFO-DIIS coefs:    0.48124   -0.15935
 Iteration  1 RMS(Cart)=  0.06962305 RMS(Int)=  0.00056053
 Iteration  2 RMS(Cart)=  0.00178336 RMS(Int)=  0.00016814
 Iteration  3 RMS(Cart)=  0.00000106 RMS(Int)=  0.00016814
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00016814
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64218   0.00017  -0.00066   0.00085   0.00020   2.64238
    R2        2.66138   0.00012   0.00073  -0.00029   0.00049   2.66187
    R3        2.80469  -0.00045  -0.00058  -0.00119  -0.00177   2.80291
    R4        2.65057  -0.00018  -0.00063  -0.00040  -0.00107   2.64950
    R5        2.04779   0.00003   0.00134  -0.00019   0.00115   2.04895
    R6        2.66452   0.00035   0.00123  -0.00031   0.00078   2.66530
    R7        2.78158   0.00008   0.00099   0.00015   0.00104   2.78262
    R8        2.64935  -0.00017   0.00053  -0.00048   0.00003   2.64939
    R9        2.77509  -0.00002   0.00222  -0.00054   0.00171   2.77681
   R10        2.61648   0.00018   0.00043   0.00045   0.00091   2.61740
   R11        2.04738   0.00002  -0.00007   0.00038   0.00031   2.04769
   R12        2.05116  -0.00003   0.00061  -0.00039   0.00022   2.05138
   R13        2.68778  -0.00023  -0.00349   0.00007  -0.00349   2.68428
   R14        2.64603  -0.00013  -0.00078  -0.00013  -0.00094   2.64509
   R15        2.76984   0.00152   0.01213   0.00251   0.01470   2.78454
   R16        2.65832  -0.00022  -0.00259  -0.00053  -0.00313   2.65519
   R17        2.78238   0.00129   0.00857   0.00270   0.01169   2.79407
   R18        2.62718   0.00118   0.00315   0.00435   0.00772   2.63490
   R19        4.62687  -0.00037  -0.15339  -0.01371  -0.16694   4.45993
   R20        2.45416  -0.00033  -0.00240  -0.00151  -0.00387   2.45029
   R21        2.64454   0.00010  -0.00021   0.00032   0.00011   2.64465
   R22        2.04686  -0.00001   0.00065   0.00015   0.00080   2.04766
   R23        2.65512  -0.00002  -0.00117  -0.00057  -0.00171   2.65341
   R24        2.79858   0.00032   0.00316  -0.00070   0.00246   2.80104
   R25        2.61490   0.00027   0.00311   0.00031   0.00345   2.61835
   R26        2.05035  -0.00007   0.00027   0.00001   0.00028   2.05063
   R27        2.04292  -0.00010  -0.00043   0.00037  -0.00007   2.04285
   R28        2.68584  -0.00003   0.00083   0.00120   0.00199   2.68783
   R29        3.38238  -0.00046  -0.00779  -0.00171  -0.00952   3.37286
   R30        5.75888  -0.00025  -0.10005  -0.00173  -0.10234   5.65654
   R31        2.67808  -0.00022  -0.00098  -0.00043  -0.00173   2.67636
   R32        2.65628  -0.00046  -0.00026  -0.00070  -0.00097   2.65532
   R33        2.59452   0.00144   0.00238   0.00198   0.00410   2.59862
   R34        2.65861  -0.00027  -0.00053  -0.00077  -0.00132   2.65729
   R35        2.61912   0.00021   0.00094   0.00051   0.00146   2.62058
   R36        2.03823   0.00021   0.00001   0.00023   0.00024   2.03846
   R37        2.66640  -0.00006  -0.00150  -0.00036  -0.00184   2.66456
   R38        2.05118  -0.00004   0.00027  -0.00004   0.00023   2.05141
   R39        2.62720   0.00038   0.00074   0.00018   0.00093   2.62813
   R40        2.80239  -0.00008   0.00070  -0.00073  -0.00003   2.80236
   R41        2.04929  -0.00001   0.00037   0.00003   0.00040   2.04969
   R42        2.65521   0.00007  -0.00031   0.00015  -0.00016   2.65505
   R43        2.65491   0.00007  -0.00015  -0.00005  -0.00019   2.65472
   R44        2.65561  -0.00001  -0.00080  -0.00019  -0.00098   2.65463
   R45        2.65565   0.00003  -0.00040  -0.00028  -0.00068   2.65497
   R46        2.65477   0.00004  -0.00016  -0.00012  -0.00029   2.65448
   R47        2.65482   0.00004   0.00009  -0.00032  -0.00024   2.65458
   R48        2.62852   0.00007   0.00035   0.00015   0.00050   2.62902
   R49        2.05164  -0.00007   0.00015   0.00008   0.00023   2.05188
   R50        2.64799   0.00002   0.00090  -0.00040   0.00050   2.64849
   R51        2.04997  -0.00007   0.00007   0.00001   0.00008   2.05005
   R52        2.64746   0.00009   0.00080  -0.00027   0.00052   2.64798
   R53        2.67893  -0.00013  -0.00088   0.00012  -0.00076   2.67818
   R54        2.62898   0.00000   0.00039   0.00002   0.00041   2.62938
   R55        2.04992  -0.00006   0.00001   0.00009   0.00010   2.05002
   R56        2.05155  -0.00004   0.00007   0.00012   0.00020   2.05174
   R57        2.62952   0.00001  -0.00022   0.00009  -0.00012   2.62940
   R58        2.05134  -0.00003   0.00031  -0.00012   0.00019   2.05153
   R59        2.64642   0.00014   0.00118  -0.00021   0.00098   2.64739
   R60        2.05022  -0.00007  -0.00001   0.00001  -0.00000   2.05021
   R61        2.64630   0.00015   0.00153  -0.00045   0.00107   2.64737
   R62        2.68235  -0.00034  -0.00193  -0.00010  -0.00203   2.68032
   R63        2.62968  -0.00004  -0.00009   0.00002  -0.00007   2.62961
   R64        2.05026  -0.00007   0.00000   0.00004   0.00004   2.05030
   R65        2.05167  -0.00002   0.00038  -0.00010   0.00028   2.05195
   R66        2.62947   0.00004  -0.00009   0.00015   0.00007   2.62954
   R67        2.05181  -0.00004   0.00018   0.00005   0.00023   2.05204
   R68        2.64679   0.00007   0.00105  -0.00031   0.00074   2.64753
   R69        2.05014  -0.00007   0.00005  -0.00002   0.00003   2.05017
   R70        2.64683   0.00014   0.00112  -0.00029   0.00083   2.64766
   R71        2.68082  -0.00021  -0.00148   0.00009  -0.00139   2.67943
   R72        2.62943  -0.00004   0.00010  -0.00003   0.00007   2.62949
   R73        2.05011  -0.00007   0.00003   0.00003   0.00005   2.05017
   R74        2.05149  -0.00002   0.00014   0.00009   0.00022   2.05171
   R75        2.64750  -0.00023  -0.00112   0.00047  -0.00064   2.64686
   R76        2.64756  -0.00023  -0.00107   0.00052  -0.00055   2.64701
   R77        2.64977  -0.00036  -0.00133   0.00018  -0.00114   2.64862
   R78        2.64991  -0.00034  -0.00116   0.00013  -0.00103   2.64888
   R79        2.64874  -0.00028  -0.00115   0.00034  -0.00081   2.64793
   R80        2.64838  -0.00030  -0.00119   0.00034  -0.00085   2.64753
   R81        2.67886   0.00018   0.00072  -0.00010   0.00062   2.67947
   R82        2.64068   0.00015   0.00082  -0.00016   0.00066   2.64133
   R83        2.73649  -0.00006  -0.00047   0.00016  -0.00031   2.73618
   R84        2.64461   0.00006   0.00081  -0.00038   0.00043   2.64505
   R85        2.67879   0.00017   0.00073  -0.00013   0.00060   2.67939
   R86        2.64465   0.00006   0.00086  -0.00042   0.00044   2.64509
   R87        2.64067   0.00013   0.00091  -0.00025   0.00066   2.64134
   R88        2.67945   0.00016   0.00071  -0.00020   0.00051   2.67997
   R89        2.64067   0.00015   0.00082  -0.00017   0.00066   2.64133
   R90        2.73647  -0.00006  -0.00030   0.00006  -0.00024   2.73623
   R91        2.64485   0.00005   0.00083  -0.00044   0.00039   2.64524
   R92        2.67944   0.00017   0.00060  -0.00011   0.00049   2.67993
   R93        2.64486   0.00005   0.00088  -0.00044   0.00044   2.64530
   R94        2.64061   0.00016   0.00075  -0.00008   0.00067   2.64128
   R95        2.67907   0.00018   0.00069  -0.00013   0.00056   2.67963
   R96        2.64062   0.00015   0.00083  -0.00016   0.00067   2.64129
   R97        2.73650  -0.00006  -0.00039   0.00011  -0.00028   2.73622
   R98        2.64479   0.00006   0.00085  -0.00040   0.00045   2.64524
   R99        2.67924   0.00018   0.00071  -0.00013   0.00059   2.67983
   R100       2.64474   0.00006   0.00083  -0.00041   0.00042   2.64516
   R101       2.64063   0.00016   0.00078  -0.00010   0.00068   2.64131
   R102       2.62985  -0.00007  -0.00014  -0.00008  -0.00022   2.62963
   R103       2.05270  -0.00001  -0.00010   0.00006  -0.00004   2.05266
   R104       2.65465   0.00015   0.00080  -0.00011   0.00069   2.65534
   R105       2.05142  -0.00000   0.00023  -0.00014   0.00009   2.05150
   R106       2.63309  -0.00010  -0.00069   0.00013  -0.00057   2.63253
   R107       2.05228  -0.00001  -0.00009   0.00006  -0.00003   2.05225
   R108       2.04889  -0.00005   0.00001   0.00000   0.00001   2.04890
   R109       2.63313  -0.00010  -0.00070   0.00013  -0.00057   2.63256
   R110       2.04893  -0.00006   0.00008  -0.00007   0.00001   2.04894
   R111       2.65465   0.00015   0.00083  -0.00015   0.00067   2.65532
   R112       2.05232  -0.00001  -0.00011   0.00007  -0.00004   2.05228
   R113       2.62989  -0.00006  -0.00009  -0.00010  -0.00018   2.62971
   R114       2.05145  -0.00000   0.00022  -0.00014   0.00009   2.05154
   R115       2.05271  -0.00001  -0.00009   0.00005  -0.00004   2.05267
   R116       2.62993  -0.00008  -0.00011  -0.00014  -0.00025   2.62968
   R117       2.05280  -0.00001  -0.00011   0.00005  -0.00006   2.05274
   R118       2.65506   0.00013   0.00078  -0.00021   0.00057   2.65563
   R119       2.05151  -0.00000   0.00022  -0.00014   0.00007   2.05159
   R120       2.63291  -0.00009  -0.00064   0.00013  -0.00051   2.63241
   R121       2.05237  -0.00002  -0.00014   0.00007  -0.00007   2.05230
   R122       2.04912  -0.00007   0.00003  -0.00012  -0.00009   2.04903
   R123       2.63291  -0.00009  -0.00063   0.00011  -0.00052   2.63239
   R124       2.04912  -0.00006  -0.00005  -0.00000  -0.00006   2.04907
   R125       2.65509   0.00013   0.00075  -0.00018   0.00057   2.65566
   R126       2.05237  -0.00002  -0.00011   0.00005  -0.00005   2.05231
   R127       2.62993  -0.00008  -0.00012  -0.00011  -0.00023   2.62969
   R128       2.05151  -0.00000   0.00022  -0.00015   0.00007   2.05158
   R129       2.05279  -0.00001  -0.00011   0.00005  -0.00006   2.05273
   R130       2.62996  -0.00007  -0.00007  -0.00012  -0.00020   2.62976
   R131       2.05274  -0.00001  -0.00010   0.00005  -0.00005   2.05269
   R132       2.65485   0.00014   0.00081  -0.00018   0.00062   2.65547
   R133       2.05148  -0.00000   0.00023  -0.00014   0.00009   2.05156
   R134       2.63306  -0.00010  -0.00064   0.00011  -0.00053   2.63253
   R135       2.05237  -0.00001  -0.00011   0.00006  -0.00005   2.05232
   R136       2.04907  -0.00006   0.00004  -0.00007  -0.00003   2.04904
   R137       2.63300  -0.00010  -0.00066   0.00010  -0.00055   2.63245
   R138       2.04906  -0.00007  -0.00001  -0.00004  -0.00006   2.04900
   R139       2.65492   0.00014   0.00079  -0.00016   0.00062   2.65555
   R140       2.05230  -0.00001  -0.00011   0.00006  -0.00005   2.05225
   R141       2.62986  -0.00008  -0.00008  -0.00014  -0.00022   2.62964
   R142       2.05146  -0.00000   0.00022  -0.00014   0.00008   2.05154
   R143       2.05275  -0.00001  -0.00010   0.00005  -0.00004   2.05270
   R144       2.78046   0.00023   0.00293  -0.00142   0.00150   2.78197
   R145       3.01194   0.00016   0.00159   0.00117   0.00258   3.01452
   R146       3.04475  -0.00005  -0.00157   0.00138  -0.00019   3.04456
   R147       2.78314  -0.00083  -0.00516  -0.00071  -0.00555   2.77760
   R148       2.75908  -0.00016  -0.00133   0.00025  -0.00108   2.75800
   R149       2.86009   0.00008   0.00060   0.00079   0.00138   2.86147
   R150       2.06149  -0.00005   0.00080  -0.00020   0.00081   2.06230
   R151       2.06153   0.00014   0.00137  -0.00054   0.00089   2.06241
   R152       2.06851  -0.00002   0.00018  -0.00017   0.00001   2.06852
   R153       2.06690   0.00003   0.00013   0.00005   0.00018   2.06708
   R154       2.06686   0.00001   0.00004   0.00001   0.00005   2.06690
   R155       2.86288   0.00004   0.00054  -0.00021   0.00034   2.86322
   R156       2.06908  -0.00002   0.00017  -0.00009   0.00007   2.06915
   R157       2.06717  -0.00002  -0.00029   0.00022  -0.00006   2.06711
   R158       2.06626   0.00000   0.00023  -0.00010   0.00014   2.06640
   R159       2.06809   0.00001   0.00019  -0.00014   0.00005   2.06814
   R160       2.06608  -0.00000   0.00022  -0.00013   0.00009   2.06617
   R161       5.52634   0.00000   0.06413  -0.00124   0.06341   5.58975
   R162       5.87974   0.00013   0.07997   0.00215   0.08193   5.96168
    A1        2.06644  -0.00024  -0.00127   0.00071  -0.00058   2.06586
    A2        2.10803   0.00011   0.00133  -0.00107   0.00027   2.10831
    A3        2.10871   0.00013  -0.00006   0.00035   0.00030   2.10902
    A4        2.12731   0.00024   0.00235  -0.00128   0.00099   2.12830
    A5        2.06589  -0.00002  -0.00211   0.00178  -0.00026   2.06563
    A6        2.08923  -0.00022  -0.00068  -0.00033  -0.00094   2.08828
    A7        2.06904  -0.00005  -0.00075   0.00074   0.00007   2.06911
    A8        2.14180  -0.00018   0.00186  -0.00131   0.00088   2.14268
    A9        2.06995   0.00022  -0.00146   0.00054  -0.00139   2.06856
   A10        2.09202  -0.00011  -0.00148   0.00040  -0.00106   2.09097
   A11        2.10042   0.00011   0.00185  -0.00133   0.00029   2.10071
   A12        2.09007   0.00000  -0.00036   0.00094   0.00080   2.09087
   A13        2.10473   0.00013   0.00160  -0.00053   0.00101   2.10574
   A14        2.06486   0.00009   0.00180  -0.00063   0.00120   2.06606
   A15        2.11341  -0.00022  -0.00334   0.00115  -0.00216   2.11125
   A16        2.10545   0.00003  -0.00064  -0.00005  -0.00068   2.10477
   A17        2.08672   0.00014   0.00310  -0.00136   0.00175   2.08847
   A18        2.09102  -0.00017  -0.00250   0.00141  -0.00109   2.08993
   A19        2.09741   0.00007  -0.00353   0.00126  -0.00261   2.09480
   A20        2.11205  -0.00022   0.00270  -0.00233   0.00057   2.11262
   A21        2.06865   0.00014  -0.00046   0.00134   0.00089   2.06954
   A22        2.07932  -0.00005   0.00261  -0.00246  -0.00003   2.07928
   A23        2.06870  -0.00011   0.00120  -0.00024   0.00091   2.06961
   A24        2.12846   0.00016  -0.00285   0.00270   0.00002   2.12848
   A25        2.01639  -0.00037  -0.01733   0.00010  -0.01870   1.99768
   A26        2.11020   0.00037  -0.00792  -0.00170  -0.01112   2.09908
   A27        1.81777   0.00009   0.00969  -0.00058   0.00962   1.82739
   A28        2.05313  -0.00020  -0.00211  -0.00187  -0.00568   2.04745
   A29        1.53761   0.00063   0.03521   0.00421   0.04003   1.57764
   A30        2.05110  -0.00019  -0.00483  -0.00059  -0.00555   2.04555
   A31        2.07750   0.00021   0.00197  -0.00049   0.00137   2.07886
   A32        2.15375  -0.00002   0.00215   0.00096   0.00372   2.15747
   A33        2.13863   0.00012   0.00024  -0.00118  -0.00104   2.13759
   A34        2.08108  -0.00015   0.00336  -0.00156   0.00184   2.08292
   A35        2.06100   0.00002  -0.00396   0.00295  -0.00097   2.06003
   A36        2.05903  -0.00026   0.00024   0.00031   0.00052   2.05955
   A37        2.10721   0.00010  -0.00074   0.00012  -0.00061   2.10660
   A38        2.11614   0.00015   0.00046  -0.00037   0.00010   2.11624
   A39        2.10404   0.00004  -0.00155   0.00060  -0.00096   2.10308
   A40        2.09224   0.00019   0.00261  -0.00113   0.00149   2.09373
   A41        2.08675  -0.00023  -0.00106   0.00053  -0.00053   2.08623
   A42        2.12078   0.00007  -0.00027  -0.00033  -0.00066   2.12012
   A43        2.09328   0.00009   0.00312  -0.00092   0.00224   2.09553
   A44        2.06828  -0.00016  -0.00253   0.00121  -0.00129   2.06699
   A45        2.07579  -0.00003   0.00021   0.00054   0.00122   2.07701
   A46        2.07435   0.00003  -0.00563  -0.00075  -0.00667   2.06769
   A47        2.07258  -0.00007   0.00039  -0.00040   0.00003   2.07261
   A48        1.97392   0.00022   0.01712   0.00250   0.01963   1.99356
   A49        1.53316  -0.00032  -0.00372   0.00054  -0.00321   1.52995
   A50        2.06839   0.00024   0.00258  -0.00002   0.00246   2.07085
   A51        2.15178  -0.00050   0.00016  -0.00123  -0.00097   2.15081
   A52        2.06166   0.00026  -0.00287   0.00129  -0.00157   2.06009
   A53        2.13952   0.00008   0.00028   0.00025   0.00022   2.13974
   A54        2.09589  -0.00013   0.00057   0.00016   0.00082   2.09671
   A55        2.04776   0.00005  -0.00091  -0.00040  -0.00108   2.04667
   A56        2.07343  -0.00006  -0.00057   0.00045  -0.00016   2.07328
   A57        2.10409  -0.00000   0.00342  -0.00148   0.00190   2.10599
   A58        2.10382  -0.00004  -0.00012   0.00022   0.00011   2.10393
   A59        2.07520   0.00005  -0.00323   0.00127  -0.00195   2.07324
   A60        2.13173  -0.00010  -0.00152   0.00031  -0.00123   2.13051
   A61        2.06847  -0.00011  -0.00107   0.00071  -0.00036   2.06811
   A62        2.08289   0.00021   0.00256  -0.00102   0.00154   2.08443
   A63        2.04611  -0.00012  -0.00118   0.00068  -0.00052   2.04559
   A64        2.11590   0.00015   0.00085  -0.00021   0.00066   2.11656
   A65        2.12117  -0.00003   0.00032  -0.00047  -0.00014   2.12103
   A66        2.12664   0.00009   0.00166  -0.00097   0.00062   2.12726
   A67        2.03463  -0.00010  -0.00102   0.00115   0.00017   2.03480
   A68        2.12164   0.00000  -0.00072  -0.00015  -0.00083   2.12081
   A69        2.10976   0.00014  -0.00082   0.00086   0.00005   2.10981
   A70        2.11501   0.00012   0.00159  -0.00088   0.00071   2.11572
   A71        2.05841  -0.00025  -0.00077   0.00001  -0.00076   2.05765
   A72        2.11570   0.00012  -0.00000  -0.00032  -0.00032   2.11538
   A73        2.10827   0.00018   0.00030   0.00001   0.00032   2.10858
   A74        2.05922  -0.00030  -0.00030   0.00031   0.00000   2.05922
   A75        2.11362   0.00012  -0.00057   0.00007  -0.00050   2.11312
   A76        2.11074   0.00014   0.00160  -0.00035   0.00125   2.11199
   A77        2.05883  -0.00026  -0.00103   0.00028  -0.00075   2.05808
   A78        2.11515   0.00016  -0.00016   0.00013  -0.00003   2.11512
   A79        2.08523   0.00014   0.00166  -0.00063   0.00102   2.08625
   A80        2.08193  -0.00030  -0.00140   0.00049  -0.00091   2.08102
   A81        2.09726   0.00017   0.00204  -0.00092   0.00113   2.09839
   A82        2.10190  -0.00024  -0.00277   0.00048  -0.00228   2.09962
   A83        2.08376   0.00007   0.00075   0.00041   0.00116   2.08492
   A84        2.08218  -0.00036  -0.00342   0.00126  -0.00216   2.08002
   A85        2.10009   0.00020   0.00173  -0.00051   0.00123   2.10131
   A86        2.10092   0.00016   0.00169  -0.00076   0.00093   2.10185
   A87        2.09699   0.00019   0.00199  -0.00074   0.00126   2.09824
   A88        2.08431   0.00006   0.00082   0.00023   0.00106   2.08537
   A89        2.10161  -0.00024  -0.00280   0.00048  -0.00231   2.09930
   A90        2.11535   0.00014  -0.00020  -0.00000  -0.00020   2.11515
   A91        2.08288   0.00014   0.00149  -0.00038   0.00112   2.08400
   A92        2.08408  -0.00029  -0.00133   0.00040  -0.00092   2.08316
   A93        2.11549   0.00013   0.00025   0.00010   0.00036   2.11585
   A94        2.08431   0.00006   0.00185  -0.00097   0.00089   2.08520
   A95        2.08256  -0.00019  -0.00237   0.00097  -0.00140   2.08117
   A96        2.09691   0.00018   0.00223  -0.00081   0.00141   2.09832
   A97        2.10211  -0.00024  -0.00317   0.00060  -0.00256   2.09954
   A98        2.08393   0.00006   0.00094   0.00019   0.00114   2.08507
   A99        2.08292  -0.00036  -0.00404   0.00132  -0.00272   2.08019
   A100       2.10030   0.00022   0.00138  -0.00023   0.00115   2.10145
   A101       2.09997   0.00015   0.00266  -0.00109   0.00157   2.10154
   A102       2.09635   0.00019   0.00242  -0.00090   0.00152   2.09787
   A103       2.08383   0.00005   0.00099   0.00019   0.00118   2.08501
   A104       2.10277  -0.00024  -0.00343   0.00070  -0.00272   2.10005
   A105       2.11610   0.00013  -0.00012   0.00032   0.00021   2.11630
   A106       2.08460   0.00006   0.00183  -0.00115   0.00070   2.08530
   A107       2.08177  -0.00019  -0.00205   0.00093  -0.00111   2.08066
   A108       2.11566   0.00013   0.00041  -0.00001   0.00040   2.11607
   A109       2.08620   0.00008   0.00085  -0.00057   0.00028   2.08649
   A110       2.08054  -0.00021  -0.00135   0.00061  -0.00073   2.07981
   A111       2.09691   0.00017   0.00198  -0.00077   0.00121   2.09813
   A112       2.10217  -0.00024  -0.00289   0.00045  -0.00244   2.09974
   A113       2.08386   0.00007   0.00091   0.00030   0.00122   2.08507
   A114       2.08223  -0.00035  -0.00363   0.00118  -0.00245   2.07978
   A115       2.10010   0.00020   0.00181  -0.00044   0.00137   2.10147
   A116       2.10086   0.00015   0.00182  -0.00074   0.00108   2.10194
   A117       2.09715   0.00019   0.00221  -0.00080   0.00141   2.09856
   A118       2.08415   0.00005   0.00064   0.00034   0.00099   2.08513
   A119       2.10165  -0.00024  -0.00282   0.00042  -0.00240   2.09925
   A120       2.11543   0.00013   0.00002   0.00015   0.00017   2.11560
   A121       2.08415   0.00009   0.00135  -0.00058   0.00078   2.08493
   A122       2.08296  -0.00022  -0.00146   0.00045  -0.00101   2.08195
   A123       2.19621  -0.00005   0.00009  -0.00015  -0.00007   2.19614
   A124       2.19611   0.00001  -0.00035   0.00022  -0.00014   2.19597
   A125       1.89086   0.00004   0.00027  -0.00007   0.00021   1.89106
   A126       2.19650  -0.00003  -0.00003   0.00001  -0.00002   2.19648
   A127       2.19645  -0.00006  -0.00018  -0.00010  -0.00029   2.19616
   A128       1.89023   0.00008   0.00021   0.00009   0.00031   1.89054
   A129       2.19621  -0.00004  -0.00024   0.00002  -0.00022   2.19598
   A130       2.19635  -0.00002   0.00010  -0.00006   0.00003   2.19639
   A131       1.89062   0.00006   0.00014   0.00004   0.00019   1.89081
   A132       1.90117   0.00005   0.00027  -0.00012   0.00014   1.90131
   A133       2.25931   0.00016   0.00187  -0.00048   0.00137   2.26068
   A134       2.12211  -0.00021  -0.00216   0.00062  -0.00154   2.12057
   A135       1.86611  -0.00010  -0.00036   0.00006  -0.00030   1.86582
   A136       2.08607   0.00011   0.00114  -0.00032   0.00082   2.08689
   A137       2.33096  -0.00002  -0.00080   0.00025  -0.00055   2.33040
   A138       1.86608  -0.00009  -0.00028   0.00005  -0.00022   1.86586
   A139       2.33096  -0.00002  -0.00093   0.00027  -0.00066   2.33030
   A140       2.08610   0.00011   0.00117  -0.00032   0.00086   2.08696
   A141       1.90118   0.00005   0.00017  -0.00009   0.00007   1.90125
   A142       2.25941   0.00016   0.00203  -0.00059   0.00142   2.26083
   A143       2.12202  -0.00021  -0.00222   0.00070  -0.00153   2.12049
   A144       1.90148   0.00005   0.00011  -0.00007   0.00003   1.90151
   A145       2.25831   0.00018   0.00192  -0.00034   0.00157   2.25988
   A146       2.12291  -0.00023  -0.00205   0.00040  -0.00165   2.12126
   A147       1.86548  -0.00007  -0.00025   0.00013  -0.00012   1.86535
   A148       2.08535   0.00013   0.00106  -0.00013   0.00093   2.08628
   A149       2.33232  -0.00006  -0.00083   0.00000  -0.00084   2.33148
   A150       1.86550  -0.00007  -0.00031   0.00016  -0.00015   1.86536
   A151       2.33232  -0.00007  -0.00074  -0.00008  -0.00082   2.33150
   A152       2.08533   0.00013   0.00102  -0.00008   0.00095   2.08627
   A153       1.90145   0.00004   0.00018  -0.00015   0.00003   1.90148
   A154       2.25834   0.00021   0.00177  -0.00013   0.00162   2.25996
   A155       2.12294  -0.00025  -0.00194   0.00027  -0.00168   2.12127
   A156       1.90128   0.00005   0.00027  -0.00014   0.00012   1.90140
   A157       2.25866   0.00019   0.00181  -0.00032   0.00147   2.26014
   A158       2.12274  -0.00023  -0.00209   0.00046  -0.00163   2.12111
   A159       1.86579  -0.00008  -0.00034   0.00012  -0.00022   1.86558
   A160       2.08565   0.00012   0.00108  -0.00021   0.00088   2.08653
   A161       2.33170  -0.00004  -0.00077   0.00008  -0.00069   2.33101
   A162       1.86576  -0.00008  -0.00031   0.00010  -0.00021   1.86554
   A163       2.33177  -0.00004  -0.00081   0.00010  -0.00071   2.33106
   A164       2.08563   0.00012   0.00109  -0.00020   0.00090   2.08652
   A165       1.90132   0.00005   0.00025  -0.00012   0.00012   1.90144
   A166       2.25882   0.00018   0.00182  -0.00031   0.00149   2.26032
   A167       2.12253  -0.00023  -0.00207   0.00043  -0.00164   2.12089
   A168       2.07977  -0.00001  -0.00026   0.00018  -0.00008   2.07969
   A169       2.10007   0.00004   0.00149  -0.00090   0.00059   2.10066
   A170       2.10333  -0.00003  -0.00123   0.00072  -0.00051   2.10282
   A171       2.10422  -0.00003  -0.00003  -0.00021  -0.00023   2.10399
   A172       2.09185   0.00001  -0.00063   0.00049  -0.00014   2.09171
   A173       2.08711   0.00002   0.00067  -0.00029   0.00037   2.08748
   A174       2.11960   0.00003  -0.00045   0.00040  -0.00005   2.11955
   A175       2.08542  -0.00004  -0.00052   0.00019  -0.00034   2.08509
   A176       2.07816   0.00002   0.00097  -0.00059   0.00038   2.07854
   A177       2.05443   0.00010   0.00179  -0.00074   0.00106   2.05549
   A178       2.11733   0.00004   0.00066  -0.00009   0.00057   2.11790
   A179       2.11140  -0.00014  -0.00244   0.00082  -0.00162   2.10978
   A180       2.05429   0.00011   0.00182  -0.00070   0.00112   2.05541
   A181       2.11731   0.00004   0.00053   0.00001   0.00053   2.11785
   A182       2.11154  -0.00015  -0.00233   0.00069  -0.00164   2.10990
   A183       2.11970   0.00002  -0.00052   0.00041  -0.00011   2.11959
   A184       2.07800   0.00002   0.00104  -0.00058   0.00046   2.07846
   A185       2.08548  -0.00004  -0.00053   0.00017  -0.00035   2.08513
   A186       2.10419  -0.00003   0.00001  -0.00022  -0.00021   2.10398
   A187       2.08723   0.00002   0.00065  -0.00029   0.00036   2.08759
   A188       2.09175   0.00001  -0.00065   0.00050  -0.00015   2.09160
   A189       2.07977  -0.00001  -0.00027   0.00022  -0.00005   2.07971
   A190       2.10003   0.00004   0.00150  -0.00089   0.00061   2.10064
   A191       2.10337  -0.00003  -0.00123   0.00068  -0.00055   2.10282
   A192       2.07984  -0.00000  -0.00032   0.00023  -0.00008   2.07975
   A193       2.10010   0.00003   0.00162  -0.00097   0.00065   2.10075
   A194       2.10323  -0.00003  -0.00130   0.00073  -0.00057   2.10267
   A195       2.10451  -0.00004   0.00012  -0.00035  -0.00023   2.10428
   A196       2.09164   0.00001  -0.00069   0.00055  -0.00015   2.09150
   A197       2.08703   0.00002   0.00058  -0.00020   0.00038   2.08740
   A198       2.11961   0.00003  -0.00058   0.00047  -0.00011   2.11949
   A199       2.08534  -0.00004  -0.00053   0.00019  -0.00034   2.08501
   A200       2.07823   0.00001   0.00110  -0.00065   0.00045   2.07868
   A201       2.05397   0.00012   0.00171  -0.00054   0.00117   2.05514
   A202       2.11637   0.00005   0.00074   0.00010   0.00084   2.11721
   A203       2.11283  -0.00018  -0.00244   0.00043  -0.00201   2.11082
   A204       2.05398   0.00012   0.00174  -0.00060   0.00115   2.05513
   A205       2.11630   0.00005   0.00057   0.00011   0.00068   2.11698
   A206       2.11287  -0.00017  -0.00230   0.00048  -0.00182   2.11105
   A207       2.11958   0.00003  -0.00054   0.00044  -0.00010   2.11948
   A208       2.07832   0.00001   0.00108  -0.00066   0.00042   2.07874
   A209       2.08527  -0.00004  -0.00054   0.00022  -0.00032   2.08495
   A210       2.10453  -0.00004   0.00009  -0.00032  -0.00023   2.10430
   A211       2.08698   0.00002   0.00064  -0.00024   0.00040   2.08738
   A212       2.09167   0.00001  -0.00072   0.00055  -0.00017   2.09150
   A213       2.07982  -0.00000  -0.00028   0.00020  -0.00007   2.07975
   A214       2.10013   0.00003   0.00155  -0.00094   0.00061   2.10074
   A215       2.10321  -0.00003  -0.00127   0.00074  -0.00053   2.10268
   A216       2.07986  -0.00000  -0.00030   0.00024  -0.00005   2.07981
   A217       2.10008   0.00003   0.00153  -0.00094   0.00059   2.10067
   A218       2.10323  -0.00003  -0.00124   0.00070  -0.00054   2.10269
   A219       2.10437  -0.00003   0.00006  -0.00030  -0.00024   2.10413
   A220       2.09168   0.00001  -0.00067   0.00053  -0.00014   2.09154
   A221       2.08712   0.00002   0.00061  -0.00024   0.00038   2.08750
   A222       2.11958   0.00003  -0.00055   0.00044  -0.00011   2.11947
   A223       2.08535  -0.00004  -0.00053   0.00018  -0.00035   2.08500
   A224       2.07825   0.00002   0.00107  -0.00062   0.00046   2.07871
   A225       2.05420   0.00012   0.00177  -0.00061   0.00117   2.05537
   A226       2.11665   0.00004   0.00057   0.00006   0.00064   2.11729
   A227       2.11230  -0.00016  -0.00233   0.00054  -0.00180   2.11050
   A228       2.05396   0.00012   0.00178  -0.00062   0.00117   2.05513
   A229       2.11710   0.00004   0.00049   0.00008   0.00057   2.11768
   A230       2.11210  -0.00016  -0.00226   0.00053  -0.00174   2.11036
   A231       2.11968   0.00003  -0.00054   0.00043  -0.00011   2.11957
   A232       2.07808   0.00002   0.00111  -0.00065   0.00046   2.07854
   A233       2.08542  -0.00004  -0.00057   0.00022  -0.00035   2.08507
   A234       2.10444  -0.00003   0.00004  -0.00028  -0.00024   2.10420
   A235       2.08704   0.00002   0.00063  -0.00024   0.00039   2.08743
   A236       2.09170   0.00001  -0.00067   0.00052  -0.00015   2.09155
   A237       2.07971  -0.00000  -0.00027   0.00021  -0.00005   2.07966
   A238       2.10012   0.00003   0.00155  -0.00092   0.00062   2.10075
   A239       2.10334  -0.00003  -0.00128   0.00071  -0.00057   2.10277
   A240       2.02355   0.00005  -0.00246   0.00223   0.00022   2.02377
   A241       1.82553   0.00031   0.00304   0.00047   0.00257   1.82810
   A242       1.70701   0.00003   0.00819  -0.00377   0.00438   1.71139
   A243       2.04689  -0.00017  -0.00248  -0.00057  -0.00308   2.04381
   A244       2.03397  -0.00000  -0.00264   0.00036  -0.00240   2.03157
   A245       1.77951  -0.00018  -0.00152   0.00068  -0.00030   1.77922
   A246       2.12774  -0.00009   0.00020  -0.00077  -0.00141   2.12634
   A247       2.06242  -0.00029  -0.00316   0.00109  -0.00207   2.06034
   A248       1.87269   0.00016   0.00062   0.00131   0.00171   1.87440
   A249       1.87024  -0.00007  -0.00021  -0.00032  -0.00042   1.86982
   A250       1.89155   0.00004   0.00167  -0.00026   0.00170   1.89326
   A251       1.97096  -0.00017  -0.00286  -0.00165  -0.00410   1.96686
   A252       1.97187  -0.00024  -0.00467   0.00001  -0.00471   1.96716
   A253       1.88254   0.00028   0.00577   0.00092   0.00612   1.88867
   A254       1.90604   0.00001   0.00351  -0.00132   0.00219   1.90824
   A255       1.94039   0.00001  -0.00139   0.00049  -0.00089   1.93949
   A256       1.93932   0.00003  -0.00078   0.00059  -0.00019   1.93913
   A257       1.89025  -0.00001  -0.00069   0.00027  -0.00042   1.88983
   A258       1.88931  -0.00001  -0.00033   0.00026  -0.00007   1.88924
   A259       1.89720  -0.00004  -0.00031  -0.00030  -0.00062   1.89658
   A260       1.88104   0.00001   0.00101  -0.00061   0.00040   1.88144
   A261       1.88984   0.00002  -0.00047   0.00002  -0.00045   1.88938
   A262       1.89319   0.00001   0.00065  -0.00022   0.00043   1.89361
   A263       1.94818  -0.00005  -0.00150   0.00076  -0.00074   1.94743
   A264       1.95263  -0.00005  -0.00180   0.00062  -0.00119   1.95144
   A265       1.89720   0.00005   0.00217  -0.00059   0.00158   1.89878
   A266       1.93725   0.00002   0.00035  -0.00008   0.00027   1.93752
   A267       1.91282   0.00001   0.00129  -0.00104   0.00025   1.91307
   A268       1.93508   0.00000   0.00025  -0.00004   0.00020   1.93528
   A269       1.89167  -0.00001  -0.00080   0.00052  -0.00027   1.89140
   A270       1.89373  -0.00001  -0.00040   0.00023  -0.00017   1.89356
   A271       1.89216  -0.00001  -0.00075   0.00045  -0.00030   1.89186
   A272       1.90264  -0.00016  -0.01242   0.00012  -0.01325   1.88940
   A273       1.71118  -0.00026  -0.01922  -0.00157  -0.02115   1.69003
   A274       1.66840   0.00041   0.03966   0.00347   0.04261   1.71100
   A275       1.75420   0.00037   0.01958   0.00011   0.01931   1.77351
   A276       1.21137   0.00015   0.03154   0.00276   0.03378   1.24515
   A277       1.33136   0.00010   0.01324  -0.00002   0.01250   1.34386
   A278       0.58987   0.00007  -0.00633  -0.00001  -0.00638   0.58348
    D1        0.01227  -0.00000   0.00188  -0.00128   0.00064   0.01291
    D2        3.11186  -0.00005  -0.00831   0.00345  -0.00478   3.10708
    D3       -3.12797  -0.00002   0.00140  -0.00143  -0.00001  -3.12798
    D4       -0.02838  -0.00007  -0.00878   0.00329  -0.00543  -0.03381
    D5       -0.02823  -0.00004  -0.00242  -0.00099  -0.00341  -0.03164
    D6        3.11176  -0.00009  -0.00829   0.00084  -0.00743   3.10433
    D7        3.11201  -0.00002  -0.00195  -0.00084  -0.00276   3.10925
    D8       -0.03119  -0.00007  -0.00781   0.00100  -0.00678  -0.03796
    D9        2.45576   0.00019  -0.01270   0.00552  -0.00716   2.44860
   D10       -0.68582   0.00019  -0.01170   0.00543  -0.00626  -0.69207
   D11       -0.68445   0.00017  -0.01318   0.00536  -0.00783  -0.69228
   D12        2.45716   0.00018  -0.01219   0.00527  -0.00692   2.45024
   D13        0.02953   0.00006   0.00159   0.00178   0.00335   0.03288
   D14       -3.03664   0.00013   0.00768   0.00224   0.01002  -3.02663
   D15       -3.06951   0.00010   0.01186  -0.00306   0.00882  -3.06069
   D16        0.14751   0.00018   0.01795  -0.00260   0.01548   0.16299
   D17       -0.05594  -0.00007  -0.00445  -0.00006  -0.00457  -0.06051
   D18        3.04630  -0.00003  -0.00370   0.00019  -0.00349   3.04280
   D19        3.01338  -0.00016  -0.01013  -0.00058  -0.01085   3.00253
   D20       -0.16757  -0.00012  -0.00939  -0.00033  -0.00978  -0.17734
   D21       -2.97257   0.00003  -0.00503   0.00710   0.00206  -2.97051
   D22        0.27875   0.00014   0.00951   0.00421   0.01377   0.29252
   D23        0.24448   0.00012   0.00102   0.00755   0.00866   0.25314
   D24       -2.78738   0.00022   0.01556   0.00465   0.02037  -2.76701
   D25        0.04114   0.00003   0.00407  -0.00220   0.00191   0.04305
   D26       -3.12103   0.00004   0.00722  -0.00243   0.00482  -3.11620
   D27       -3.06133  -0.00001   0.00328  -0.00239   0.00085  -3.06048
   D28        0.05968  -0.00000   0.00643  -0.00263   0.00376   0.06345
   D29       -0.24020  -0.00016  -0.01478  -0.00593  -0.02097  -0.26118
   D30        2.94387  -0.00014  -0.00754  -0.00294  -0.01074   2.93314
   D31        2.86208  -0.00013  -0.01403  -0.00569  -0.01993   2.84214
   D32       -0.23703  -0.00011  -0.00680  -0.00270  -0.00970  -0.24673
   D33        0.00172   0.00003  -0.00053   0.00272   0.00215   0.00387
   D34       -3.13826   0.00008   0.00526   0.00089   0.00617  -3.13209
   D35       -3.11872   0.00002  -0.00383   0.00298  -0.00088  -3.11960
   D36        0.02449   0.00007   0.00196   0.00115   0.00314   0.02763
   D37        0.09713   0.00021   0.03155  -0.00784   0.02385   0.12099
   D38       -2.92274   0.00017   0.02338  -0.00801   0.01546  -2.90728
   D39        3.13169   0.00008   0.01758  -0.00525   0.01242  -3.13907
   D40        0.11182   0.00004   0.00942  -0.00542   0.00403   0.11585
   D41        2.99582  -0.00013  -0.02202   0.00670  -0.01544   2.98038
   D42       -0.06873  -0.00010  -0.01606   0.00327  -0.01284  -0.08157
   D43       -0.03781  -0.00002  -0.00753   0.00385  -0.00369  -0.04150
   D44       -3.10236   0.00001  -0.00157   0.00043  -0.00108  -3.10344
   D45       -0.49666  -0.00034  -0.05145   0.00155  -0.04951  -0.54617
   D46        3.12918   0.00017   0.01387   0.00963   0.02283  -3.13118
   D47        1.15672   0.00031  -0.01098   0.00611  -0.00463   1.15209
   D48        2.51887  -0.00032  -0.04269   0.00149  -0.04076   2.47812
   D49       -0.13847   0.00019   0.02263   0.00957   0.03158  -0.10689
   D50       -2.11093   0.00033  -0.00223   0.00605   0.00412  -2.10681
   D51       -0.10165  -0.00003  -0.00466   0.00350  -0.00118  -0.10283
   D52        2.99535   0.00008   0.00484   0.00261   0.00747   3.00283
   D53       -3.11793  -0.00005  -0.01342   0.00371  -0.00982  -3.12775
   D54       -0.02092   0.00005  -0.00392   0.00283  -0.00117  -0.02208
   D55        0.56579   0.00026   0.04127   0.00588   0.04651   0.61229
   D56       -2.62030   0.00025   0.03368   0.00270   0.03569  -2.58461
   D57       -3.04356  -0.00007  -0.02331  -0.00190  -0.02501  -3.06857
   D58        0.05354  -0.00008  -0.03090  -0.00507  -0.03582   0.01771
   D59       -1.26309  -0.00010   0.01429   0.00448   0.01878  -1.24431
   D60        1.83401  -0.00012   0.00670   0.00130   0.00796   1.84197
   D61        2.57927  -0.00040  -0.03257  -0.00227  -0.03494   2.54434
   D62       -0.93313  -0.00059  -0.04615  -0.00415  -0.05048  -0.98361
   D63       -0.06829   0.00017   0.03762   0.00544   0.04290  -0.02538
   D64        2.70250  -0.00002   0.02404   0.00357   0.02736   2.72986
   D65        2.36846   0.00049  -0.00274  -0.00194  -0.00498   2.36348
   D66        1.77869   0.00038  -0.00178  -0.00256  -0.00433   1.77436
   D67       -1.89239   0.00028  -0.01082  -0.00077  -0.01218  -1.90457
   D68       -2.48215   0.00017  -0.00986  -0.00140  -0.01153  -2.49369
   D69        3.09936  -0.00010  -0.00161  -0.00148  -0.00322   3.09613
   D70        0.00290  -0.00007   0.00628   0.00174   0.00795   0.01085
   D71       -0.04970  -0.00001   0.00058  -0.00010   0.00049  -0.04921
   D72        3.13449  -0.00001   0.00177  -0.00141   0.00036   3.13485
   D73        3.01569  -0.00005  -0.00507   0.00310  -0.00196   3.01373
   D74       -0.08331  -0.00005  -0.00388   0.00179  -0.00209  -0.08540
   D75        0.06233   0.00001   0.00439  -0.00204   0.00237   0.06470
   D76       -3.09783   0.00001   0.00408  -0.00161   0.00247  -3.09536
   D77       -3.12209   0.00002   0.00317  -0.00071   0.00248  -3.11961
   D78        0.00094   0.00001   0.00285  -0.00028   0.00258   0.00352
   D79        2.43959   0.00033  -0.05258   0.01647  -0.03612   2.40347
   D80       -0.70355   0.00033  -0.05179   0.01658  -0.03521  -0.73876
   D81       -0.65800   0.00034  -0.05136   0.01510  -0.03626  -0.69426
   D82        2.48204   0.00034  -0.05057   0.01521  -0.03535   2.44669
   D83        0.01337   0.00000  -0.00241   0.00036  -0.00207   0.01130
   D84       -3.08425  -0.00011  -0.01192   0.00129  -0.01068  -3.09493
   D85       -3.10971   0.00000  -0.00217  -0.00005  -0.00220  -3.11191
   D86        0.07585  -0.00011  -0.01167   0.00088  -0.01080   0.06504
   D87        0.03209  -0.00012  -0.02244  -0.00297  -0.02552   0.00657
   D88       -3.05229  -0.00009  -0.01975  -0.00407  -0.02391  -3.07620
   D89       -2.73907   0.00005  -0.00778  -0.00103  -0.00851  -2.74758
   D90        0.45973   0.00008  -0.00509  -0.00213  -0.00689   0.45284
   D91       -0.97984  -0.00025  -0.00092   0.00104   0.00009  -0.97975
   D92        2.21896  -0.00021   0.00176  -0.00006   0.00170   2.22066
   D93        0.09831   0.00026   0.02103   0.00830   0.02939   0.12771
   D94       -2.18445   0.00019   0.02365   0.00695   0.03116  -2.15330
   D95        2.27339   0.00031   0.02215   0.00728   0.02958   2.30297
   D96        2.86978   0.00007   0.00758   0.00664   0.01415   2.88393
   D97        0.58702   0.00000   0.01020   0.00528   0.01591   0.60293
   D98       -1.23833   0.00012   0.00870   0.00561   0.01434  -1.22399
   D99        0.85769   0.00002  -0.01058   0.00350  -0.00678   0.85091
   D100      -1.42508  -0.00006  -0.00797   0.00214  -0.00501  -1.43009
   D101       3.03276   0.00006  -0.00947   0.00248  -0.00659   3.02617
   D102      -1.05556  -0.00001  -0.02374  -0.00364  -0.02739  -1.08295
   D103      -1.66130  -0.00007  -0.01664  -0.00395  -0.02039  -1.68169
   D104       1.04719  -0.00018  -0.02119  -0.00331  -0.02473   1.02245
   D105       0.44145  -0.00024  -0.01410  -0.00362  -0.01773   0.42372
   D106       0.02602  -0.00002  -0.00250  -0.00035  -0.00279   0.02322
   D107      -3.10852   0.00006   0.00429  -0.00161   0.00269  -3.10583
   D108       3.11339  -0.00008  -0.00501   0.00061  -0.00431   3.10908
   D109      -0.02115  -0.00000   0.00178  -0.00064   0.00117  -0.01997
   D110       3.10634  -0.00002  -0.00320   0.00188  -0.00138   3.10496
   D111      -0.02168  -0.00011  -0.00826   0.00116  -0.00716  -0.02884
   D112       0.02175   0.00002  -0.00070   0.00083   0.00010   0.02185
   D113      -3.10627  -0.00007  -0.00575   0.00010  -0.00568  -3.11195
   D114      -0.04326   0.00011   0.01055   0.00092   0.01150  -0.03176
   D115       3.09145   0.00004   0.00391   0.00214   0.00617   3.09763
   D116       0.00440  -0.00001  -0.00066   0.00004  -0.00063   0.00377
   D117       3.12110  -0.00003  -0.00369   0.00130  -0.00241   3.11869
   D118      -3.13050   0.00006   0.00581  -0.00115   0.00456  -3.12594
   D119      -0.01380   0.00004   0.00277   0.00011   0.00279  -0.01102
   D120      -0.00564  -0.00003  -0.00153  -0.00044  -0.00196  -0.00760
   D121       3.12116  -0.00008  -0.00491  -0.00021  -0.00514   3.11603
   D122       3.12260   0.00006   0.00350   0.00026   0.00374   3.12634
   D123      -0.03377   0.00001   0.00012   0.00050   0.00055  -0.03322
   D124      -0.01130   0.00002   0.00256  -0.00015   0.00243  -0.00887
   D125       3.13503   0.00002   0.00216   0.00038   0.00254   3.13757
   D126      -3.13799   0.00008   0.00609  -0.00040   0.00566  -3.13233
   D127       0.00834   0.00008   0.00569   0.00012   0.00577   0.01411
   D128       0.01178  -0.00000  -0.00144   0.00034  -0.00112   0.01066
   D129      -3.10369   0.00002   0.00179  -0.00099   0.00073  -3.10295
   D130      -3.13456  -0.00000  -0.00104  -0.00018  -0.00123  -3.13579
   D131       0.03315   0.00002   0.00219  -0.00152   0.00062   0.03378
   D132       0.66111  -0.00024   0.03354  -0.01058   0.02297   0.68408
   D133      -2.48125  -0.00024   0.03209  -0.00970   0.02240  -2.45886
   D134      -2.47554  -0.00024   0.03312  -0.01003   0.02308  -2.45246
   D135       0.66528  -0.00024   0.03167  -0.00916   0.02251   0.68779
   D136      -3.13096  -0.00001   0.00207  -0.00160   0.00047  -3.13049
   D137      -0.03313  -0.00005  -0.00457   0.00107  -0.00346  -0.03659
   D138       0.01062  -0.00001   0.00110  -0.00151  -0.00040   0.01022
   D139       3.10845  -0.00005  -0.00554   0.00116  -0.00434   3.10411
   D140      -3.13495  -0.00001  -0.00068  -0.00031  -0.00099  -3.13594
   D141      -0.03416  -0.00007  -0.00898   0.00238  -0.00655  -0.04071
   D142       0.00666  -0.00000   0.00029  -0.00040  -0.00011   0.00655
   D143       3.10745  -0.00007  -0.00801   0.00229  -0.00567   3.10178
   D144      -3.13232  -0.00001   0.00279  -0.00166   0.00115  -3.13118
   D145      -0.03584  -0.00001   0.00485  -0.00175   0.00312  -0.03271
   D146       0.01077  -0.00001   0.00202  -0.00177   0.00026   0.01104
   D147       3.10726  -0.00001   0.00407  -0.00185   0.00224   3.10950
   D148      -3.13239  -0.00001  -0.00088  -0.00022  -0.00110  -3.13349
   D149      -0.03595  -0.00005  -0.00136   0.00004  -0.00127  -0.03722
   D150       0.00770  -0.00000  -0.00010  -0.00011  -0.00022   0.00748
   D151       3.10414  -0.00005  -0.00059   0.00015  -0.00039   3.10375
   D152       3.13171   0.00001  -0.00176   0.00161  -0.00015   3.13156
   D153       0.03299   0.00003   0.00044   0.00060   0.00101   0.03400
   D154      -0.00913   0.00001  -0.00036   0.00077   0.00040  -0.00873
   D155      -3.10785   0.00003   0.00183  -0.00024   0.00156  -3.10629
   D156       3.13564   0.00000  -0.00003   0.00010   0.00007   3.13570
   D157       0.03299   0.00005   0.00222  -0.00028   0.00190   0.03490
   D158      -0.00670   0.00000  -0.00142   0.00094  -0.00049  -0.00719
   D159      -3.10935   0.00005   0.00082   0.00056   0.00135  -3.10800
   D160      -0.01904   0.00002  -0.00183   0.00204   0.00020  -0.01884
   D161       3.09785   0.00004  -0.00016   0.00079   0.00063   3.09847
   D162      -3.11561   0.00000  -0.00399   0.00215  -0.00182  -3.11743
   D163       0.00128   0.00003  -0.00232   0.00090  -0.00139  -0.00012
   D164       0.00870  -0.00001  -0.00035  -0.00039  -0.00074   0.00797
   D165      -3.13305  -0.00001  -0.00016  -0.00039  -0.00054  -3.13359
   D166      -3.10844  -0.00003  -0.00198   0.00085  -0.00111  -3.10955
   D167       0.03299  -0.00002  -0.00178   0.00085  -0.00091   0.03208
   D168       0.00951  -0.00000   0.00226  -0.00148   0.00079   0.01030
   D169      -3.10689  -0.00001   0.00114  -0.00039   0.00078  -3.10611
   D170      -3.13192  -0.00001   0.00207  -0.00148   0.00059  -3.13133
   D171       0.03487  -0.00001   0.00095  -0.00039   0.00058   0.03545
   D172       0.92269   0.00006  -0.01496   0.00440  -0.01056   0.91213
   D173      -2.21522   0.00005  -0.01460   0.00402  -0.01057  -2.22579
   D174      -2.21906   0.00006  -0.01476   0.00440  -0.01036  -2.22942
   D175       0.92621   0.00006  -0.01440   0.00403  -0.01037   0.91584
   D176      -0.01786   0.00001  -0.00205   0.00174  -0.00032  -0.01818
   D177      -3.11427   0.00004  -0.00176   0.00150  -0.00021  -3.11448
   D178       3.09828   0.00001  -0.00089   0.00064  -0.00026   3.09802
   D179       0.00187   0.00005  -0.00059   0.00039  -0.00014   0.00172
   D180      -0.01822   0.00002  -0.00152   0.00212   0.00059  -0.01763
   D181       3.09989   0.00003  -0.00127   0.00120  -0.00007   3.09983
   D182      -3.11609   0.00005   0.00494  -0.00051   0.00446  -3.11163
   D183       0.00202   0.00006   0.00518  -0.00142   0.00380   0.00582
   D184       0.00839  -0.00001   0.00047  -0.00076  -0.00028   0.00811
   D185      -3.13240  -0.00001   0.00067  -0.00104  -0.00036  -3.13276
   D186      -3.10996  -0.00001   0.00027   0.00014   0.00042  -3.10955
   D187       0.03243  -0.00001   0.00047  -0.00015   0.00034   0.03277
   D188       0.00863  -0.00001   0.00092  -0.00114  -0.00021   0.00841
   D189      -3.10987  -0.00001   0.00174  -0.00068   0.00108  -3.10880
   D190      -3.13377  -0.00001   0.00072  -0.00086  -0.00013  -3.13390
   D191       0.03091  -0.00001   0.00154  -0.00039   0.00116   0.03207
   D192      -2.18858  -0.00005  -0.02394   0.00162  -0.02232  -2.21090
   D193       0.95828  -0.00006  -0.02483   0.00134  -0.02349   0.93480
   D194       0.95382  -0.00005  -0.02373   0.00134  -0.02240   0.93143
   D195      -2.18250  -0.00006  -0.02462   0.00105  -0.02357  -2.20607
   D196      -0.01629   0.00002  -0.00132   0.00173   0.00040  -0.01589
   D197      -3.11715   0.00007   0.00677  -0.00091   0.00591  -3.11124
   D198       3.10195   0.00002  -0.00209   0.00126  -0.00084   3.10111
   D199       0.00110   0.00007   0.00600  -0.00138   0.00466   0.00576
   D200       0.01658  -0.00001   0.00143  -0.00160  -0.00016   0.01642
   D201      -3.10105  -0.00003   0.00048  -0.00045   0.00003  -3.10101
   D202       3.11544  -0.00002  -0.00064  -0.00062  -0.00129   3.11415
   D203      -0.00219  -0.00004  -0.00159   0.00053  -0.00110  -0.00329
   D204      -0.00808   0.00000  -0.00068   0.00071   0.00002  -0.00806
   D205       3.13362   0.00000  -0.00018   0.00049   0.00032   3.13393
   D206       3.10980   0.00001   0.00022  -0.00043  -0.00022   3.10958
   D207      -0.03168   0.00001   0.00073  -0.00064   0.00007  -0.03161
   D208      -0.00752   0.00001  -0.00110   0.00099  -0.00012  -0.00764
   D209       3.11092   0.00000   0.00042  -0.00076  -0.00035   3.11056
   D210       3.13397   0.00001  -0.00161   0.00120  -0.00041   3.13355
   D211      -0.03078   0.00000  -0.00009  -0.00054  -0.00065  -0.03143
   D212       2.19667   0.00001   0.02085  -0.00239   0.01845   2.21512
   D213      -0.94316   0.00001   0.02110  -0.00241   0.01869  -0.92448
   D214      -0.94482   0.00001   0.02136  -0.00261   0.01875  -0.92607
   D215       2.19854   0.00001   0.02161  -0.00263   0.01898   2.21752
   D216       0.01505  -0.00001   0.00219  -0.00183   0.00037   0.01541
   D217       3.11772  -0.00004   0.00008  -0.00147  -0.00143   3.11629
   D218      -3.10315  -0.00001   0.00063  -0.00007   0.00056  -3.10259
   D219      -0.00048  -0.00004  -0.00148   0.00029  -0.00123  -0.00172
   D220      -3.13798  -0.00001  -0.00072  -0.00025  -0.00097  -3.13894
   D221       0.03709  -0.00002   0.00094  -0.00010   0.00084   0.03794
   D222      -0.00089   0.00000   0.00004  -0.00001   0.00003  -0.00085
   D223      -3.10900  -0.00001   0.00170   0.00015   0.00184  -3.10716
   D224       3.13628   0.00001   0.00086   0.00026   0.00112   3.13740
   D225       0.02720  -0.00000   0.00134   0.00062   0.00196   0.02916
   D226      -0.00081   0.00000   0.00010   0.00002   0.00012  -0.00069
   D227      -3.10989  -0.00001   0.00058   0.00038   0.00096  -3.10893
   D228      -3.13941   0.00000  -0.00004   0.00009   0.00005  -3.13936
   D229       0.03964  -0.00002   0.00156  -0.00060   0.00097   0.04060
   D230      -0.00096   0.00001  -0.00035   0.00041   0.00006  -0.00089
   D231      -3.10510  -0.00001   0.00125  -0.00028   0.00098  -3.10412
   D232       3.13750   0.00001   0.00006   0.00009   0.00015   3.13764
   D233       0.03275  -0.00001   0.00198  -0.00058   0.00140   0.03414
   D234      -0.00095   0.00000   0.00036  -0.00023   0.00013  -0.00082
   D235      -3.10570  -0.00002   0.00228  -0.00090   0.00138  -3.10432
   D236      -3.13912  -0.00001   0.00014  -0.00011   0.00004  -3.13909
   D237      -0.03193   0.00001  -0.00134   0.00015  -0.00119  -0.03313
   D238       0.00096  -0.00001  -0.00007  -0.00009  -0.00016   0.00080
   D239       3.10815   0.00001  -0.00156   0.00017  -0.00139   3.10676
   D240       3.14096  -0.00000  -0.00026   0.00001  -0.00025   3.14071
   D241      -0.03505   0.00001  -0.00151   0.00013  -0.00139  -0.03644
   D242       0.00087  -0.00000  -0.00005  -0.00000  -0.00005   0.00082
   D243       3.10804   0.00001  -0.00130   0.00011  -0.00119   3.10685
   D244       0.00243  -0.00001   0.00020  -0.00042  -0.00023   0.00220
   D245      -3.13038   0.00002   0.00209  -0.00001   0.00208  -3.12831
   D246       3.11008   0.00002  -0.00116   0.00017  -0.00098   3.10909
   D247      -0.02274   0.00005   0.00073   0.00059   0.00132  -0.02142
   D248       3.12080  -0.00000  -0.00187   0.00037  -0.00150   3.11930
   D249      -0.01196  -0.00001  -0.00443   0.00142  -0.00300  -0.01497
   D250       0.02080  -0.00003  -0.00015  -0.00038  -0.00053   0.02027
   D251      -3.11197  -0.00004  -0.00270   0.00068  -0.00203  -3.11399
   D252      -0.00296   0.00001   0.00003   0.00028   0.00031  -0.00266
   D253       3.12860  -0.00003  -0.00287   0.00002  -0.00285   3.12576
   D254       3.12809  -0.00002  -0.00222  -0.00023  -0.00245   3.12565
   D255      -0.02352  -0.00006  -0.00511  -0.00048  -0.00560  -0.02912
   D256       0.00815  -0.00003  -0.00022  -0.00071  -0.00092   0.00723
   D257      -3.13989  -0.00002  -0.00115   0.00008  -0.00107  -3.14096
   D258      -3.12186   0.00001   0.00227  -0.00015   0.00212  -3.11974
   D259       0.01328   0.00002   0.00134   0.00063   0.00197   0.01525
   D260       0.00243  -0.00001  -0.00024  -0.00003  -0.00027   0.00216
   D261       3.11063   0.00002  -0.00188   0.00055  -0.00133   3.10930
   D262      -3.13081   0.00002   0.00219   0.00018   0.00237  -3.12844
   D263      -0.02261   0.00005   0.00055   0.00075   0.00131  -0.02130
   D264      -3.12231   0.00001   0.00304  -0.00057   0.00248  -3.11983
   D265       0.01310   0.00003   0.00197   0.00042   0.00239   0.01549
   D266       0.00826  -0.00003  -0.00016  -0.00084  -0.00100   0.00727
   D267      -3.13951  -0.00002  -0.00123   0.00014  -0.00108  -3.14060
   D268       3.12127  -0.00000  -0.00210   0.00029  -0.00181   3.11946
   D269      -0.01250  -0.00001  -0.00443   0.00120  -0.00323  -0.01574
   D270       0.02059  -0.00003  -0.00002  -0.00044  -0.00046   0.02013
   D271      -3.11319  -0.00004  -0.00236   0.00047  -0.00189  -3.11507
   D272       0.00218  -0.00001  -0.00016  -0.00001  -0.00017   0.00202
   D273      -3.13169   0.00003   0.00257   0.00024   0.00280  -3.12889
   D274       3.11339   0.00001  -0.00158  -0.00016  -0.00174   3.11165
   D275      -0.02048   0.00004   0.00114   0.00008   0.00123  -0.01925
   D276       3.12298  -0.00001  -0.00229  -0.00016  -0.00245   3.12053
   D277      -0.01039  -0.00002  -0.00473   0.00114  -0.00358  -0.01397
   D278       0.01858  -0.00003  -0.00049   0.00002  -0.00048   0.01810
   D279      -3.11479  -0.00003  -0.00293   0.00132  -0.00161  -3.11640
   D280      -0.00263   0.00001   0.00022   0.00002   0.00024  -0.00239
   D281       3.13010  -0.00002  -0.00195  -0.00025  -0.00219   3.12791
   D282       3.12967  -0.00003  -0.00304  -0.00027  -0.00331   3.12636
   D283      -0.02078  -0.00006  -0.00520  -0.00054  -0.00575  -0.02652
   D284       0.00750  -0.00003  -0.00045  -0.00046  -0.00090   0.00660
   D285      -3.14029  -0.00002  -0.00154   0.00043  -0.00110  -3.14139
   D286      -3.12388   0.00002   0.00315  -0.00014   0.00301  -3.12087
   D287       0.01151   0.00003   0.00205   0.00075   0.00281   0.01432
   D288       0.00214  -0.00001  -0.00020  -0.00003  -0.00022   0.00192
   D289       3.11422   0.00001  -0.00056  -0.00036  -0.00092   3.11331
   D290      -3.13209   0.00002   0.00162   0.00020   0.00181  -3.13028
   D291      -0.02001   0.00004   0.00126  -0.00014   0.00112  -0.01889
   D292      -3.12448   0.00001   0.00155   0.00010   0.00165  -3.12283
   D293       0.01170   0.00002   0.00115   0.00051   0.00166   0.01336
   D294       0.00738  -0.00003  -0.00085  -0.00019  -0.00103   0.00634
   D295      -3.13962  -0.00002  -0.00125   0.00022  -0.00103  -3.14065
   D296       3.12370  -0.00000  -0.00075  -0.00041  -0.00116   3.12254
   D297      -0.01182  -0.00001  -0.00359   0.00134  -0.00224  -0.01406
   D298       0.01823  -0.00003  -0.00027   0.00000  -0.00026   0.01797
   D299      -3.11729  -0.00003  -0.00310   0.00175  -0.00135  -3.11864
   D300      -0.00236   0.00001   0.00016   0.00015   0.00030  -0.00206
   D301       3.13135  -0.00002  -0.00237  -0.00002  -0.00238   3.12897
   D302      -3.11274  -0.00001   0.00143  -0.00007   0.00135  -3.11139
   D303       0.02097  -0.00005  -0.00110  -0.00023  -0.00134   0.01964
   D304      -3.12245   0.00000   0.00192  -0.00017   0.00175  -3.12070
   D305       0.01211   0.00001   0.00459  -0.00155   0.00304   0.01516
   D306      -0.01908   0.00003   0.00031   0.00011   0.00042  -0.01866
   D307       3.11549   0.00004   0.00299  -0.00127   0.00172   3.11720
   D308       0.00285  -0.00001  -0.00018  -0.00014  -0.00033   0.00252
   D309      -3.12931   0.00003   0.00243   0.00020   0.00263  -3.12668
   D310      -3.12928   0.00002   0.00283   0.00005   0.00288  -3.12640
   D311       0.02175   0.00006   0.00544   0.00039   0.00584   0.02759
   D312      -0.00771   0.00003   0.00054   0.00055   0.00108  -0.00663
   D313       3.13973   0.00002   0.00146  -0.00031   0.00115   3.14088
   D314       3.12347  -0.00001  -0.00279   0.00033  -0.00246   3.12102
   D315      -0.01227  -0.00003  -0.00187  -0.00052  -0.00239  -0.01466
   D316      -0.00231   0.00001   0.00014   0.00009   0.00023  -0.00207
   D317      -3.11268  -0.00001   0.00120   0.00001   0.00120  -3.11148
   D318       3.13143  -0.00002  -0.00205  -0.00019  -0.00224   3.12919
   D319       0.02106  -0.00005  -0.00100  -0.00028  -0.00128   0.01978
   D320       3.12352  -0.00001  -0.00232   0.00013  -0.00219   3.12133
   D321      -0.01206  -0.00003  -0.00165  -0.00054  -0.00219  -0.01425
   D322      -0.00770   0.00003   0.00057   0.00051   0.00107  -0.00662
   D323       3.13991   0.00002   0.00124  -0.00017   0.00107   3.14098
   D324      -3.12253   0.00000   0.00150   0.00008   0.00158  -3.12095
   D325       0.01150   0.00001   0.00421  -0.00130   0.00291   0.01441
   D326      -0.01917   0.00003   0.00016   0.00019   0.00036  -0.01881
   D327       3.11486   0.00003   0.00287  -0.00118   0.00169   3.11655
   D328       0.00705  -0.00000  -0.00071   0.00063  -0.00008   0.00697
   D329      -3.13909  -0.00001   0.00031  -0.00056  -0.00025  -3.13935
   D330      -3.12834  -0.00002   0.00035  -0.00035   0.00000  -3.12834
   D331       0.00870  -0.00003   0.00137  -0.00155  -0.00017   0.00852
   D332      -0.00892   0.00002   0.00127  -0.00032   0.00095  -0.00798
   D333       3.13054  -0.00000  -0.00069  -0.00020  -0.00089   3.12965
   D334       3.13722   0.00003   0.00025   0.00086   0.00112   3.13834
   D335      -0.00651   0.00001  -0.00171   0.00099  -0.00072  -0.00723
   D336      -0.00489  -0.00001  -0.00089   0.00022  -0.00067  -0.00556
   D337       3.12891   0.00001   0.00144  -0.00068   0.00075   3.12967
   D338       3.13882   0.00002   0.00107   0.00010   0.00116   3.13998
   D339      -0.01056   0.00003   0.00340  -0.00081   0.00259  -0.00797
   D340      -0.00493  -0.00001  -0.00093   0.00030  -0.00064  -0.00557
   D341       3.13960   0.00002   0.00089   0.00008   0.00097   3.14056
   D342       3.12786   0.00000   0.00162  -0.00076   0.00087   3.12873
   D343      -0.01079   0.00003   0.00345  -0.00097   0.00247  -0.00832
   D344      -0.00912   0.00002   0.00143  -0.00042   0.00100  -0.00812
   D345       3.13775   0.00003   0.00014   0.00082   0.00097   3.13872
   D346       3.12952  -0.00000  -0.00040  -0.00021  -0.00061   3.12891
   D347      -0.00679   0.00001  -0.00168   0.00104  -0.00064  -0.00744
   D348       0.00733  -0.00000  -0.00082   0.00062  -0.00019   0.00714
   D349      -3.12780  -0.00001   0.00011  -0.00016  -0.00005  -3.12785
   D350      -3.13955  -0.00002   0.00047  -0.00063  -0.00016  -3.13971
   D351       0.00850  -0.00003   0.00140  -0.00141  -0.00001   0.00848
   D352       0.00609   0.00000  -0.00049   0.00065   0.00016   0.00625
   D353      -3.13915  -0.00002   0.00056  -0.00081  -0.00025  -3.13940
   D354      -3.13008  -0.00001  -0.00010   0.00024   0.00015  -3.12994
   D355       0.00786  -0.00003   0.00096  -0.00122  -0.00026   0.00760
   D356      -0.00773   0.00002   0.00152  -0.00080   0.00072  -0.00702
   D357       3.13202  -0.00001  -0.00055  -0.00057  -0.00112   3.13090
   D358       3.13750   0.00003   0.00047   0.00065   0.00112   3.13862
   D359      -0.00593   0.00001  -0.00160   0.00088  -0.00071  -0.00664
   D360      -0.00441  -0.00001  -0.00112   0.00046  -0.00066  -0.00507
   D361       3.13113  -0.00000   0.00170  -0.00128   0.00043   3.13155
   D362       3.13901   0.00002   0.00094   0.00023   0.00117   3.14018
   D363      -0.00864   0.00002   0.00377  -0.00151   0.00226  -0.00638
   D364      -0.00429  -0.00001  -0.00083   0.00026  -0.00058  -0.00487
   D365       3.14028   0.00002   0.00100   0.00008   0.00108   3.14136
   D366       3.12909   0.00000   0.00160  -0.00104   0.00056   3.12965
   D367      -0.00952   0.00003   0.00343  -0.00122   0.00222  -0.00730
   D368      -0.00820   0.00002   0.00151  -0.00064   0.00087  -0.00733
   D369       3.13818   0.00003   0.00027   0.00069   0.00096   3.13913
   D370       3.13040  -0.00001  -0.00032  -0.00047  -0.00079   3.12961
   D371      -0.00641   0.00001  -0.00157   0.00087  -0.00070  -0.00711
   D372       0.00642  -0.00000  -0.00083   0.00073  -0.00010   0.00632
   D373      -3.12896  -0.00001   0.00025  -0.00016   0.00010  -3.12886
   D374      -3.13996  -0.00001   0.00042  -0.00061  -0.00019  -3.14015
   D375       0.00784  -0.00003   0.00151  -0.00150   0.00001   0.00785
   D376      -0.00658   0.00000   0.00063  -0.00066  -0.00002  -0.00660
   D377       3.13946   0.00002  -0.00058   0.00073   0.00015   3.13961
   D378       3.12899   0.00001  -0.00003   0.00001  -0.00002   3.12897
   D379      -0.00816   0.00003  -0.00124   0.00140   0.00015  -0.00800
   D380       0.00833  -0.00002  -0.00150   0.00059  -0.00092   0.00742
   D381      -3.13083   0.00001   0.00047   0.00041   0.00088  -3.12995
   D382      -3.13770  -0.00003  -0.00029  -0.00079  -0.00109  -3.13878
   D383       0.00633  -0.00001   0.00168  -0.00097   0.00071   0.00704
   D384       0.00453   0.00001   0.00109  -0.00035   0.00075   0.00527
   D385      -3.12952  -0.00000  -0.00161   0.00103  -0.00059  -3.13011
   D386      -3.13949  -0.00002  -0.00088  -0.00017  -0.00104  -3.14053
   D387       0.00965  -0.00003  -0.00358   0.00121  -0.00238   0.00727
   D388       0.00454   0.00001   0.00102  -0.00030   0.00072   0.00526
   D389      -3.13905  -0.00002  -0.00102  -0.00015  -0.00116  -3.14022
   D390      -3.13004  -0.00000  -0.00165   0.00108  -0.00058  -3.13062
   D391       0.00955  -0.00003  -0.00369   0.00123  -0.00246   0.00708
   D392       0.00821  -0.00002  -0.00156   0.00062  -0.00094   0.00727
   D393      -3.13744  -0.00003  -0.00035  -0.00079  -0.00114  -3.13858
   D394      -3.13137   0.00001   0.00048   0.00047   0.00095  -3.13042
   D395       0.00616  -0.00001   0.00169  -0.00093   0.00076   0.00691
   D396      -0.00646   0.00000   0.00074  -0.00073   0.00001  -0.00645
   D397       3.12927   0.00001  -0.00017   0.00012  -0.00006   3.12921
   D398       3.13921   0.00002  -0.00047   0.00068   0.00020   3.13941
   D399      -0.00825   0.00003  -0.00139   0.00153   0.00014  -0.00811
   D400       1.59585   0.00042   0.05446   0.00481   0.05960   1.65545
   D401      -0.67317   0.00021   0.05700   0.00178   0.05940  -0.61378
   D402      -2.91662   0.00048   0.06355   0.00113   0.06488  -2.85175
   D403      -3.07936   0.00008  -0.01287   0.00099  -0.01231  -3.09167
   D404      -0.91179   0.00016  -0.01155   0.00129  -0.01021  -0.92200
   D405       1.33983  -0.00021  -0.01782   0.00135  -0.01609   1.32375
   D406       2.68551  -0.00002  -0.03948  -0.00386  -0.04280   2.64271
   D407      -1.47632  -0.00017  -0.04266  -0.00527  -0.04695  -1.52327
   D408       0.55099   0.00015  -0.03519  -0.00450  -0.03913   0.51186
   D409       3.00118   0.00000  -0.01149   0.00085  -0.01064   2.99054
   D410      -1.17204  -0.00004  -0.01297   0.00141  -0.01155  -1.18359
   D411       0.88394   0.00004  -0.01029   0.00060  -0.00969   0.87425
   D412       3.11104  -0.00002  -0.00081  -0.00134  -0.00214   3.10891
   D413      -1.08740  -0.00002  -0.00028  -0.00155  -0.00181  -1.08921
   D414       1.02814  -0.00004  -0.00217  -0.00119  -0.00334   1.02480
   D415       1.05415   0.00005   0.00071  -0.00084  -0.00036   1.05379
   D416       3.13888   0.00005   0.00125  -0.00104  -0.00003   3.13886
   D417      -1.02876   0.00003  -0.00064  -0.00069  -0.00156  -1.03032
   D418      -1.08841  -0.00001  -0.00113  -0.00079  -0.00171  -1.09012
   D419       0.99633  -0.00001  -0.00060  -0.00099  -0.00138   0.99495
   D420       3.11187  -0.00003  -0.00249  -0.00063  -0.00291   3.10896
   D421       1.42070  -0.00000  -0.04778  -0.00130  -0.04905   1.37166
   D422      -2.80415   0.00006  -0.04881  -0.00084  -0.04956  -2.85371
   D423      -0.61257  -0.00016  -0.05251  -0.00130  -0.05393  -0.66650
   D424      -1.47715   0.00004   0.04117   0.00063   0.04188  -1.43527
   D425       2.73322  -0.00004   0.04215  -0.00084   0.04150   2.77472
   D426       0.54218   0.00013   0.04478   0.00060   0.04550   0.58768
   D427       1.04646   0.00001  -0.00399   0.00198  -0.00201   1.04445
   D428       3.13537   0.00001  -0.00393   0.00190  -0.00203   3.13334
   D429      -1.05967   0.00000  -0.00388   0.00177  -0.00212  -1.06179
   D430      -1.02657   0.00000  -0.00318   0.00190  -0.00128  -1.02785
   D431       1.06233   0.00000  -0.00312   0.00183  -0.00129   1.06104
   D432      -3.13271  -0.00000  -0.00307   0.00169  -0.00138  -3.13409
   D433       3.12622   0.00000  -0.00362   0.00168  -0.00194   3.12428
   D434      -1.06805   0.00001  -0.00356   0.00160  -0.00195  -1.07001
   D435       1.02009  -0.00000  -0.00351   0.00147  -0.00204   1.01805
   D436      -1.40282  -0.00001   0.04901   0.00535   0.05381  -1.34901
   D437      -1.32470   0.00011   0.04636   0.00463   0.05105  -1.27366
   D438       0.35218   0.00003   0.02574   0.00035   0.02549   0.37768
   D439       1.13606   0.00021   0.01600   0.00587   0.02189   1.15795
   D440       0.94492   0.00014   0.01142   0.00472   0.01670   0.96162
   D441      -0.33563  -0.00000  -0.02485  -0.00029  -0.02481  -0.36044
         Item               Value     Threshold  Converged?
 Maximum Force            0.001517     0.000450     NO 
 RMS     Force            0.000158     0.000300     YES
 Maximum Displacement     0.470175     0.001800     NO 
 RMS     Displacement     0.069959     0.001200     NO 
 Predicted change in Energy=-2.314516D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.742388    2.863586    0.374572
      2          6           0       -2.006418    1.495541    0.492698
      3          6           0       -0.980343    0.540115    0.501882
      4          6           0        0.355964    0.985304    0.428625
      5          6           0        0.627679    2.352182    0.275629
      6          6           0       -0.402201    3.277873    0.246398
      7          6           0       -1.240626   -0.909077    0.483147
      8          6           0       -0.177387   -1.825036    0.702809
      9          6           0        1.144330   -1.308228    1.099321
     10          6           0        1.465175    0.030518    0.559919
     11          6           0       -2.492031   -1.412932    0.109865
     12          6           0       -2.720117   -2.777460   -0.101330
     13          6           0       -1.628918   -3.653701    0.012903
     14          6           0       -0.385334   -3.181328    0.400419
     15          7           0        2.207883   -2.185196    1.308946
     16          6           0        3.524101   -1.766652    0.969194
     17          6           0        3.707175   -0.467302    0.436289
     18          7           0        2.666736    0.414303    0.259541
     19          6           0        4.648576   -2.603024    1.071349
     20          6           0        5.902025   -2.153255    0.684506
     21          6           0        6.105914   -0.856920    0.168640
     22          6           0        4.988839   -0.037085    0.049529
     23          6           0       -2.846633    3.853804    0.384944
     24          6           0       -4.063996   -3.269139   -0.487722
     25          6           0        7.455183   -0.392485   -0.234969
     26          6           0       -4.221892   -4.254660   -1.476253
     27          6           0       -5.484054   -4.707104   -1.847361
     28          6           0       -6.628917   -4.198258   -1.219165
     29          6           0       -6.485193   -3.223881   -0.222451
     30          6           0       -5.220477   -2.761155    0.127408
     31          6           0       -2.711251    5.077921    1.061119
     32          6           0       -3.747218    6.006454    1.086524
     33          6           0       -4.947423    5.742584    0.413830
     34          6           0       -5.092914    4.530852   -0.274021
     35          6           0       -4.058969    3.599562   -0.277708
     36          6           0        8.351633   -1.252136   -0.891117
     37          6           0        9.614093   -0.816596   -1.281945
     38          6           0       10.023807    0.494715   -1.007301
     39          6           0        9.143628    1.360397   -0.344798
     40          6           0        7.876050    0.922117    0.025800
     41          7           0       -6.001942    6.691026    0.428302
     42          7           0       -7.915823   -4.663685   -1.587658
     43          7           0       11.312795    0.939973   -1.395466
     44          6           0       -8.318059   -6.005066   -1.645666
     45          6           0       -9.673614   -6.061569   -2.057691
     46          6           0      -10.109286   -4.695714   -2.260446
     47          6           0       -9.002961   -3.861199   -1.960465
     48          6           0       -7.326395    6.438805    0.807834
     49          6           0       -8.076898    7.635704    0.683724
     50          6           0       -7.166461    8.655097    0.205708
     51          6           0       -5.897477    8.038718    0.061037
     52          6           0       11.590925    2.084383   -2.154677
     53          6           0       12.993612    2.187309   -2.335216
     54          6           0       13.589547    1.057560   -1.653255
     55          6           0       12.525634    0.309885   -1.087491
     56          6           0      -11.315883   -4.120546   -2.675809
     57          6           0      -11.401901   -2.736743   -2.794424
     58          6           0      -10.290801   -1.925064   -2.509702
     59          6           0       -9.078979   -2.471900   -2.093638
     60          6           0       -7.602656   -7.162871   -1.327316
     61          6           0       -8.258463   -8.385672   -1.451312
     62          6           0       -9.596126   -8.460383   -1.874958
     63          6           0      -10.308751   -7.303353   -2.174863
     64          6           0       -7.316883   10.008852   -0.117169
     65          6           0       -6.215754   10.721460   -0.582100
     66          6           0       -4.968892   10.091264   -0.733948
     67          6           0       -4.791681    8.745877   -0.419298
     68          6           0       -7.904963    5.259163    1.284655
     69          6           0       -9.257525    5.288193    1.616589
     70          6           0      -10.019551    6.461593    1.484840
     71          6           0       -9.434852    7.637055    1.023432
     72          6           0       14.909340    0.630350   -1.466264
     73          6           0       15.150780   -0.518928   -0.719645
     74          6           0       14.085848   -1.239289   -0.152526
     75          6           0       12.763347   -0.836460   -0.323937
     76          6           0       10.710892    3.009096   -2.723925
     77          6           0       11.258318    4.056537   -3.461307
     78          6           0       12.646905    4.182222   -3.636718
     79          6           0       13.517604    3.250188   -3.080307
     80          8           0        0.652936   -3.658627    3.059339
     81         15           0        2.005335   -3.498875    2.500113
     82          8           0        3.200867   -3.295092    3.536401
     83          8           0        2.553478   -4.712446    1.593213
     84          6           0        3.023715   -2.541563    4.785899
     85          6           0        4.000718   -3.104622    5.796496
     86          6           0        2.518058   -6.059126    2.154685
     87          6           0        2.876029   -7.031405    1.049148
     88          1           0       -3.035129    1.179142    0.624066
     89          1           0        1.661880    2.666116    0.197896
     90          1           0       -0.175616    4.331758    0.118370
     91          1           0       -3.302292   -0.723424   -0.095555
     92          1           0       -1.760673   -4.712213   -0.186448
     93          1           0        0.441481   -3.876886    0.435132
     94          1           0        4.550718   -3.609908    1.445810
     95          1           0        6.750360   -2.820483    0.801008
     96          1           0        5.059660    0.959993   -0.371521
     97          1           0       -3.347300   -4.643194   -1.989193
     98          1           0       -5.591621   -5.439574   -2.640323
     99          1           0       -7.365374   -2.850657    0.290213
    100          1           0       -5.123402   -2.024574    0.919144
    101          1           0       -1.798718    5.286283    1.611075
    102          1           0       -3.640679    6.930151    1.645540
    103          1           0       -6.008610    4.334894   -0.821983
    104          1           0       -4.177813    2.677979   -0.839512
    105          1           0        8.041793   -2.263819   -1.135362
    106          1           0       10.280138   -1.481953   -1.821112
    107          1           0        9.466240    2.367796   -0.103800
    108          1           0        7.215247    1.598350    0.559498
    109          1           0      -12.171791   -4.747751   -2.908002
    110          1           0      -12.332933   -2.278685   -3.113651
    111          1           0      -10.374189   -0.847787   -2.618886
    112          1           0       -8.224102   -1.837853   -1.886923
    113          1           0       -6.573908   -7.114854   -0.988239
    114          1           0       -7.722510   -9.299011   -1.210470
    115          1           0      -10.077346   -9.429473   -1.963731
    116          1           0      -11.346621   -7.361558   -2.490018
    117          1           0       -8.282548   10.494756   -0.010613
    118          1           0       -6.319605   11.772417   -0.833791
    119          1           0       -4.123903   10.662013   -1.107716
    120          1           0       -3.828262    8.265368   -0.548307
    121          1           0       -7.321778    4.352305    1.399768
    122          1           0       -9.729550    4.383799    1.989069
    123          1           0      -11.072224    6.449950    1.750133
    124          1           0      -10.022489    8.546191    0.933362
    125          1           0       15.734282    1.192695   -1.894227
    126          1           0       16.170040   -0.861157   -0.569301
    127          1           0       14.295356   -2.127674    0.436005
    128          1           0       11.948647   -1.392621    0.126253
    129          1           0        9.637574    2.914680   -2.602471
    130          1           0       10.594510    4.788312   -3.912162
    131          1           0       13.041442    5.012056   -4.214907
    132          1           0       14.590040    3.342233   -3.226370
    133          1           0        3.212742   -1.491288    4.557494
    134          1           0        1.984514   -2.639665    5.104574
    135          1           0        3.918772   -2.542271    6.732033
    136          1           0        3.786519   -4.156158    6.008389
    137          1           0        5.030378   -3.022704    5.436778
    138          1           0        3.236119   -6.105605    2.979999
    139          1           0        1.514882   -6.244182    2.549572
    140          1           0        3.873583   -6.823836    0.652255
    141          1           0        2.866564   -8.053128    1.441233
    142          1           0        2.156500   -6.970200    0.228179
    143         17           0        0.806446   -0.381252    3.243287
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0183992           0.0073644           0.0057122
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13523.8254736754 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.58D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    0.999998    0.000690    0.000267   -0.001925 Ang=   0.24 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.67961409     A.U. after   13 cycles
            NFock= 13  Conv=0.27D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000060968    0.000665020   -0.000080902
      2        6          -0.000144746   -0.000494727    0.000162657
      3        6          -0.000227475    0.000263183    0.000006837
      4        6           0.000129677    0.000348147   -0.000051991
      5        6           0.000117980   -0.000254810    0.000024285
      6        6          -0.000176527   -0.000147620    0.000099993
      7        6           0.000245720   -0.000096121   -0.000149392
      8        6          -0.000401753   -0.001444224   -0.000570304
      9        6          -0.002144695    0.001203003    0.002017005
     10        6           0.000695767    0.001847176   -0.001030900
     11        6          -0.000362014   -0.000046580    0.000121768
     12        6          -0.000115444   -0.000586176   -0.000138056
     13        6          -0.000022385    0.000372101   -0.000394575
     14        6          -0.000116391    0.000089309    0.000263593
     15        7           0.001885850   -0.001727660    0.000247279
     16        6           0.000869991    0.000394695   -0.000521387
     17        6           0.001577179   -0.000584662    0.000104158
     18        7          -0.001858464   -0.000039180   -0.000235667
     19        6          -0.000367990   -0.000137556    0.000200736
     20        6          -0.000017601    0.000205519   -0.000341416
     21        6           0.000535044   -0.000107831    0.000104587
     22        6          -0.000606526    0.000091569    0.000271840
     23        6           0.000473100   -0.000201696    0.000080116
     24        6           0.000371366    0.000340743    0.000170401
     25        6          -0.000319405   -0.000192246    0.000007608
     26        6           0.000033287   -0.000400201    0.000308186
     27        6          -0.000158326   -0.000021393   -0.000157272
     28        6           0.000314152    0.000159071    0.000068631
     29        6          -0.000081139   -0.000113264    0.000136084
     30        6          -0.000124097    0.000223649   -0.000425821
     31        6          -0.000172702    0.000100301   -0.000058667
     32        6          -0.000086292    0.000058300    0.000088497
     33        6           0.000185246   -0.000080282    0.000038949
     34        6          -0.000113118    0.000042119   -0.000123466
     35        6          -0.000170160    0.000065390    0.000026758
     36        6           0.000141057   -0.000004632    0.000248544
     37        6           0.000117102    0.000089442   -0.000116335
     38        6          -0.000219723   -0.000205176    0.000049232
     39        6           0.000075947    0.000108198    0.000076732
     40        6          -0.000006943    0.000017196   -0.000281405
     41        7           0.000256356   -0.000134411   -0.000101292
     42        7          -0.000045346   -0.000016997   -0.000033664
     43        7          -0.000052189   -0.000024474    0.000024139
     44        6          -0.000119442   -0.000124662    0.000226007
     45        6          -0.000008127   -0.000121792   -0.000053497
     46        6          -0.000146502    0.000010414   -0.000009691
     47        6          -0.000018276    0.000018210   -0.000275778
     48        6          -0.000232491   -0.000009911    0.000128007
     49        6          -0.000111731   -0.000090049   -0.000007799
     50        6          -0.000015598    0.000156160    0.000008423
     51        6          -0.000114488    0.000173415   -0.000056367
     52        6           0.000062319    0.000048820   -0.000197553
     53        6           0.000000015    0.000133089   -0.000045319
     54        6           0.000138295   -0.000035609    0.000001119
     55        6           0.000125774    0.000088416    0.000133640
     56        6           0.000111416    0.000109219   -0.000024105
     57        6          -0.000020736    0.000003656    0.000068092
     58        6          -0.000105672   -0.000146841   -0.000101106
     59        6           0.000118110    0.000078515    0.000148098
     60        6           0.000176225    0.000113007   -0.000032703
     61        6          -0.000198967   -0.000065335   -0.000020280
     62        6           0.000027269    0.000008865   -0.000065588
     63        6           0.000100352    0.000039964    0.000115680
     64        6           0.000119612   -0.000081787   -0.000057427
     65        6           0.000027784    0.000029006    0.000047619
     66        6          -0.000233786    0.000014244   -0.000046498
     67        6           0.000148735   -0.000034011    0.000063082
     68        6           0.000139101   -0.000073628   -0.000072017
     69        6          -0.000161232    0.000152231    0.000039207
     70        6          -0.000008553   -0.000038606   -0.000063701
     71        6           0.000127942   -0.000045388    0.000074996
     72        6          -0.000104793   -0.000065825    0.000096321
     73        6           0.000008284   -0.000039670   -0.000056028
     74        6           0.000106512    0.000194940   -0.000022735
     75        6          -0.000106847   -0.000147911   -0.000027802
     76        6          -0.000140593   -0.000040992    0.000109179
     77        6           0.000205273    0.000045130   -0.000066513
     78        6          -0.000015077    0.000037278    0.000063149
     79        6          -0.000113399   -0.000096191   -0.000033533
     80        8           0.000182183   -0.000038285   -0.000075077
     81       15          -0.000762979    0.000395790   -0.000579010
     82        8           0.000116489    0.000390945    0.000768663
     83        8           0.000064105   -0.000038596   -0.000169436
     84        6          -0.000088146   -0.000102880   -0.000409567
     85        6           0.000074179    0.000034077    0.000074053
     86        6          -0.000009905    0.000099077   -0.000112337
     87        6           0.000047466   -0.000016400   -0.000088997
     88        1           0.000261592    0.000000488   -0.000181127
     89        1           0.000019237   -0.000044068    0.000105668
     90        1          -0.000036475   -0.000096079    0.000079520
     91        1           0.000175940    0.000147755    0.000114971
     92        1           0.000000076    0.000089957    0.000048447
     93        1           0.000013933    0.000024768    0.000110237
     94        1          -0.000016227   -0.000021548    0.000008125
     95        1          -0.000073624    0.000002199   -0.000067761
     96        1           0.000016064   -0.000053028    0.000092850
     97        1          -0.000096958    0.000022134    0.000008068
     98        1          -0.000009129    0.000044404    0.000070719
     99        1           0.000058125    0.000010326   -0.000067365
    100        1          -0.000012064   -0.000019329   -0.000046137
    101        1          -0.000019355    0.000014454   -0.000125158
    102        1           0.000006590   -0.000080255   -0.000045238
    103        1           0.000066098    0.000050908    0.000060243
    104        1          -0.000059869    0.000021478    0.000152976
    105        1           0.000029455    0.000068251    0.000049442
    106        1          -0.000072208    0.000040599    0.000035939
    107        1           0.000002029   -0.000095696   -0.000013181
    108        1           0.000029082   -0.000010042   -0.000052374
    109        1           0.000033060   -0.000038925    0.000034419
    110        1           0.000045232    0.000029587   -0.000021525
    111        1           0.000011854   -0.000001749    0.000037256
    112        1          -0.000010315   -0.000067860   -0.000045015
    113        1          -0.000084237   -0.000010442    0.000019119
    114        1           0.000020838    0.000025479   -0.000022463
    115        1           0.000023111    0.000020390    0.000048981
    116        1          -0.000009339    0.000054785   -0.000026484
    117        1          -0.000006474   -0.000056716    0.000034495
    118        1           0.000036208   -0.000025993   -0.000029588
    119        1           0.000026961   -0.000017895    0.000032835
    120        1          -0.000088637   -0.000000011   -0.000060995
    121        1          -0.000064804    0.000056115    0.000056527
    122        1           0.000029132   -0.000005901   -0.000034688
    123        1           0.000044905   -0.000013760    0.000029864
    124        1           0.000035603    0.000036262   -0.000045422
    125        1          -0.000043821    0.000016833   -0.000043138
    126        1          -0.000038601   -0.000008332    0.000039629
    127        1          -0.000026772   -0.000022024   -0.000025964
    128        1           0.000039105    0.000088513    0.000020536
    129        1           0.000083528    0.000001944   -0.000066851
    130        1          -0.000017839   -0.000010097    0.000038558
    131        1          -0.000031068   -0.000041039   -0.000021736
    132        1           0.000018631   -0.000034731    0.000052098
    133        1           0.000030815   -0.000020107    0.000212635
    134        1           0.000142570   -0.000094153    0.000113754
    135        1          -0.000071231    0.000024593   -0.000050863
    136        1           0.000029915    0.000007375    0.000010099
    137        1          -0.000008865   -0.000027787    0.000002474
    138        1          -0.000064706   -0.000051952    0.000033688
    139        1           0.000017001   -0.000016053    0.000045351
    140        1          -0.000033095   -0.000003150    0.000024244
    141        1          -0.000015698   -0.000005120    0.000021368
    142        1           0.000008143    0.000039326    0.000044080
    143       17           0.000414067   -0.000487394   -0.000327119
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002144695 RMS     0.000310856

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001913036 RMS     0.000150788
 Search for a local minimum.
 Step number  16 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   14   15   16
 DE= -3.11D-04 DEPred=-2.31D-04 R= 1.34D+00
 TightC=F SS=  1.41D+00  RLast= 3.71D-01 DXNew= 4.0363D+00 1.1132D+00
 Trust test= 1.34D+00 RLast= 3.71D-01 DXMaxT set to 2.40D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00211   0.00418   0.00421   0.00829   0.01355
     Eigenvalues ---    0.01610   0.01658   0.01820   0.02483   0.02581
     Eigenvalues ---    0.02607   0.02635   0.02671   0.02703   0.02708
     Eigenvalues ---    0.02713   0.02716   0.02717   0.02724   0.02727
     Eigenvalues ---    0.02728   0.02732   0.02733   0.02741   0.02757
     Eigenvalues ---    0.02769   0.02770   0.02774   0.02774   0.02776
     Eigenvalues ---    0.02778   0.02784   0.02785   0.02786   0.02789
     Eigenvalues ---    0.02791   0.02791   0.02792   0.02792   0.02793
     Eigenvalues ---    0.02793   0.02794   0.02796   0.02797   0.02801
     Eigenvalues ---    0.02802   0.02803   0.02804   0.02804   0.02807
     Eigenvalues ---    0.02807   0.02808   0.02808   0.02810   0.02810
     Eigenvalues ---    0.02811   0.02812   0.02812   0.02817   0.02817
     Eigenvalues ---    0.02818   0.02818   0.02819   0.02819   0.02820
     Eigenvalues ---    0.02826   0.02834   0.02841   0.02844   0.02845
     Eigenvalues ---    0.02845   0.02846   0.02846   0.02847   0.02852
     Eigenvalues ---    0.02853   0.02859   0.02867   0.02868   0.02869
     Eigenvalues ---    0.02869   0.02872   0.02873   0.02876   0.02876
     Eigenvalues ---    0.02877   0.02878   0.02878   0.02879   0.02879
     Eigenvalues ---    0.02884   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02886   0.02886   0.02887
     Eigenvalues ---    0.02892   0.02893   0.02896   0.02897   0.02898
     Eigenvalues ---    0.02899   0.02899   0.02899   0.02902   0.02908
     Eigenvalues ---    0.02910   0.02912   0.02929   0.02939   0.02942
     Eigenvalues ---    0.02943   0.03024   0.03024   0.03025   0.03104
     Eigenvalues ---    0.03123   0.03133   0.03133   0.03134   0.03147
     Eigenvalues ---    0.03148   0.03193   0.03282   0.03530   0.03714
     Eigenvalues ---    0.04341   0.04797   0.05028   0.05376   0.05525
     Eigenvalues ---    0.05571   0.05582   0.05629   0.05729   0.05754
     Eigenvalues ---    0.07264   0.08870   0.09319   0.10500   0.11389
     Eigenvalues ---    0.11440   0.11865   0.12903   0.13662   0.15134
     Eigenvalues ---    0.15649   0.15745   0.15956   0.15975   0.15985
     Eigenvalues ---    0.15985   0.15987   0.15988   0.15992   0.15993
     Eigenvalues ---    0.15995   0.15996   0.15997   0.15997   0.15997
     Eigenvalues ---    0.15997   0.15998   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16003
     Eigenvalues ---    0.16006   0.16016   0.16038   0.16040   0.16106
     Eigenvalues ---    0.16353   0.17162   0.17986   0.18880   0.20764
     Eigenvalues ---    0.20974   0.21991   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22002   0.22002
     Eigenvalues ---    0.22054   0.22416   0.22472   0.22564   0.22600
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22602   0.22701
     Eigenvalues ---    0.22960   0.22967   0.23079   0.23212   0.23456
     Eigenvalues ---    0.23513   0.23617   0.23819   0.23999   0.24011
     Eigenvalues ---    0.24186   0.24483   0.24485   0.24488   0.24526
     Eigenvalues ---    0.24531   0.24538   0.24746   0.24925   0.24981
     Eigenvalues ---    0.24982   0.24982   0.24983   0.24984   0.24985
     Eigenvalues ---    0.24997   0.24998   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25001   0.25009   0.25044
     Eigenvalues ---    0.25058   0.25204   0.25503   0.26377   0.27938
     Eigenvalues ---    0.28595   0.29147   0.29764   0.29788   0.30587
     Eigenvalues ---    0.32015   0.32099   0.32128   0.32141   0.32147
     Eigenvalues ---    0.32150   0.32177   0.32217   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33293   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33460   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33584   0.33586   0.33595   0.33633   0.33636
     Eigenvalues ---    0.33639   0.33643   0.33649   0.33664   0.33699
     Eigenvalues ---    0.33723   0.33743   0.33819   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33897   0.33921   0.33941
     Eigenvalues ---    0.33947   0.33954   0.33959   0.34368   0.34486
     Eigenvalues ---    0.34815   0.34920   0.35086   0.38993   0.41602
     Eigenvalues ---    0.42866   0.43099   0.44429   0.44436   0.44440
     Eigenvalues ---    0.44486   0.45864   0.47641   0.48732   0.48968
     Eigenvalues ---    0.48976   0.49263   0.49489   0.49710   0.49806
     Eigenvalues ---    0.49823   0.49859   0.49907   0.49953   0.49985
     Eigenvalues ---    0.50183   0.50300   0.50396   0.50406   0.50460
     Eigenvalues ---    0.50608   0.50611   0.50616   0.51450   0.51507
     Eigenvalues ---    0.52147   0.52586   0.52701   0.52890   0.53458
     Eigenvalues ---    0.54093   0.54113   0.54200   0.54202   0.54206
     Eigenvalues ---    0.54368   0.54509   0.55076   0.55124   0.55321
     Eigenvalues ---    0.55338   0.55345   0.55374   0.55389   0.55412
     Eigenvalues ---    0.55486   0.55500   0.55530   0.55599   0.55673
     Eigenvalues ---    0.55702   0.55704   0.55761   0.55939   0.55947
     Eigenvalues ---    0.56125   0.56149   0.56152   0.56154   0.56247
     Eigenvalues ---    0.56273   0.56309   0.56371   0.56662   0.56664
     Eigenvalues ---    0.56670   0.56672   0.56681   0.56694   0.56888
     Eigenvalues ---    0.56902   0.56915   0.56955   0.57173   0.57176
     Eigenvalues ---    0.57187   0.57195   0.57202   0.57217   0.57614
     Eigenvalues ---    0.61913   0.62643   0.66055   0.66069   0.67645
     Eigenvalues ---    0.67657   0.67660   0.69279   0.70035   0.70088
     Eigenvalues ---    0.73375   0.77186   0.80065
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    16   15   14   13   12   11   10    9
 RFO step:  Lambda=-2.02126149D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    2.05784   -1.47382   -0.36753    1.42418   -0.59959
                  RFO-DIIS coefs:   -0.01041    0.10201   -0.13269
 Iteration  1 RMS(Cart)=  0.04389076 RMS(Int)=  0.00023167
 Iteration  2 RMS(Cart)=  0.00086856 RMS(Int)=  0.00014447
 Iteration  3 RMS(Cart)=  0.00000028 RMS(Int)=  0.00014447
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64238   0.00040   0.00051   0.00038   0.00090   2.64328
    R2        2.66187  -0.00019   0.00004  -0.00021  -0.00013   2.66175
    R3        2.80291  -0.00007  -0.00112  -0.00031  -0.00143   2.80148
    R4        2.64950  -0.00010  -0.00050  -0.00048  -0.00101   2.64848
    R5        2.04895  -0.00023  -0.00014   0.00050   0.00035   2.04930
    R6        2.66530   0.00021   0.00066  -0.00018   0.00032   2.66562
    R7        2.78262   0.00036   0.00151  -0.00009   0.00128   2.78390
    R8        2.64939  -0.00030  -0.00032  -0.00017  -0.00051   2.64888
    R9        2.77681  -0.00005   0.00074   0.00031   0.00107   2.77787
   R10        2.61740   0.00015   0.00063   0.00019   0.00085   2.61825
   R11        2.04769  -0.00001   0.00008   0.00003   0.00011   2.04780
   R12        2.05138  -0.00010   0.00000   0.00001   0.00001   2.05139
   R13        2.68428   0.00000  -0.00226   0.00030  -0.00198   2.68230
   R14        2.64509   0.00010  -0.00019  -0.00020  -0.00041   2.64468
   R15        2.78454   0.00101   0.01109   0.00187   0.01309   2.79763
   R16        2.65519  -0.00038  -0.00241  -0.00042  -0.00282   2.65237
   R17        2.79407   0.00123   0.00889   0.00223   0.01145   2.80553
   R18        2.63490   0.00191   0.00649   0.00411   0.01070   2.64560
   R19        4.45993  -0.00053  -0.12536  -0.00855  -0.13382   4.32611
   R20        2.45029  -0.00076  -0.00303  -0.00117  -0.00420   2.44609
   R21        2.64465   0.00021   0.00011   0.00031   0.00042   2.64506
   R22        2.04766  -0.00012  -0.00027   0.00063   0.00035   2.04802
   R23        2.65341  -0.00008  -0.00135  -0.00018  -0.00150   2.65190
   R24        2.80104  -0.00025   0.00198  -0.00129   0.00069   2.80174
   R25        2.61835  -0.00002   0.00222  -0.00013   0.00212   2.62047
   R26        2.05063  -0.00010  -0.00033   0.00039   0.00006   2.05070
   R27        2.04285   0.00001  -0.00064   0.00031  -0.00033   2.04252
   R28        2.68783   0.00058   0.00195   0.00112   0.00307   2.69090
   R29        3.37286  -0.00066  -0.00834  -0.00039  -0.00856   3.36430
   R30        5.65654   0.00019  -0.07490  -0.00630  -0.08152   5.57502
   R31        2.67636  -0.00004  -0.00139   0.00005  -0.00157   2.67479
   R32        2.65532  -0.00031  -0.00085  -0.00007  -0.00092   2.65440
   R33        2.59862   0.00156   0.00351   0.00120   0.00448   2.60310
   R34        2.65729  -0.00036  -0.00121  -0.00052  -0.00175   2.65554
   R35        2.62058   0.00016   0.00117   0.00011   0.00130   2.62187
   R36        2.03846   0.00002  -0.00024  -0.00002  -0.00026   2.03821
   R37        2.66456  -0.00015  -0.00142  -0.00035  -0.00176   2.66280
   R38        2.05141  -0.00008  -0.00013   0.00020   0.00006   2.05147
   R39        2.62813   0.00029   0.00080   0.00031   0.00111   2.62924
   R40        2.80236  -0.00015   0.00008  -0.00058  -0.00050   2.80186
   R41        2.04969  -0.00008   0.00000   0.00008   0.00008   2.04977
   R42        2.65505   0.00010  -0.00008   0.00021   0.00013   2.65518
   R43        2.65472   0.00011  -0.00001   0.00011   0.00010   2.65481
   R44        2.65463   0.00008  -0.00055   0.00020  -0.00034   2.65428
   R45        2.65497  -0.00001  -0.00057   0.00025  -0.00032   2.65465
   R46        2.65448   0.00004  -0.00011   0.00005  -0.00007   2.65441
   R47        2.65458  -0.00003  -0.00022   0.00011  -0.00011   2.65447
   R48        2.62902   0.00000   0.00041  -0.00020   0.00021   2.62923
   R49        2.05188  -0.00009  -0.00037   0.00045   0.00008   2.05195
   R50        2.64849  -0.00018   0.00012  -0.00021  -0.00009   2.64840
   R51        2.05005  -0.00008  -0.00017   0.00014  -0.00003   2.05001
   R52        2.64798  -0.00009   0.00026  -0.00023   0.00003   2.64801
   R53        2.67818   0.00013  -0.00047   0.00032  -0.00015   2.67803
   R54        2.62938  -0.00003   0.00031  -0.00017   0.00013   2.62952
   R55        2.05002  -0.00008  -0.00017   0.00015  -0.00002   2.05000
   R56        2.05174  -0.00005  -0.00010   0.00016   0.00006   2.05180
   R57        2.62940   0.00002  -0.00007  -0.00002  -0.00009   2.62931
   R58        2.05153  -0.00008  -0.00004   0.00008   0.00005   2.05158
   R59        2.64739  -0.00009   0.00059  -0.00020   0.00038   2.64778
   R60        2.05021  -0.00009  -0.00025   0.00016  -0.00009   2.05012
   R61        2.64737  -0.00015   0.00063  -0.00030   0.00032   2.64770
   R62        2.68032   0.00004  -0.00144   0.00031  -0.00113   2.67920
   R63        2.62961  -0.00004  -0.00010  -0.00009  -0.00020   2.62942
   R64        2.05030  -0.00010  -0.00025   0.00013  -0.00012   2.05017
   R65        2.05195  -0.00011  -0.00013   0.00014   0.00001   2.05197
   R66        2.62954   0.00004   0.00009  -0.00003   0.00006   2.62960
   R67        2.05204  -0.00008  -0.00017   0.00022   0.00005   2.05208
   R68        2.64753  -0.00013   0.00037  -0.00020   0.00017   2.64770
   R69        2.05017  -0.00009  -0.00022   0.00015  -0.00007   2.05011
   R70        2.64766  -0.00010   0.00048  -0.00027   0.00021   2.64787
   R71        2.67943   0.00013  -0.00095   0.00040  -0.00055   2.67888
   R72        2.62949  -0.00003   0.00003  -0.00008  -0.00005   2.62945
   R73        2.05017  -0.00010  -0.00024   0.00018  -0.00006   2.05010
   R74        2.05171  -0.00005  -0.00005   0.00010   0.00005   2.05176
   R75        2.64686   0.00021  -0.00051   0.00060   0.00009   2.64695
   R76        2.64701   0.00019  -0.00047   0.00057   0.00009   2.64711
   R77        2.64862   0.00002  -0.00100   0.00042  -0.00059   2.64804
   R78        2.64888   0.00001  -0.00090   0.00034  -0.00056   2.64832
   R79        2.64793   0.00012  -0.00066   0.00046  -0.00020   2.64773
   R80        2.64753   0.00011  -0.00074   0.00049  -0.00025   2.64728
   R81        2.67947  -0.00002   0.00047  -0.00022   0.00026   2.67973
   R82        2.64133  -0.00005   0.00042  -0.00022   0.00020   2.64153
   R83        2.73618   0.00002  -0.00022   0.00018  -0.00004   2.73614
   R84        2.64505  -0.00013   0.00022  -0.00023  -0.00001   2.64503
   R85        2.67939  -0.00002   0.00048  -0.00026   0.00022   2.67961
   R86        2.64509  -0.00013   0.00022  -0.00021   0.00001   2.64510
   R87        2.64134  -0.00007   0.00042  -0.00026   0.00016   2.64149
   R88        2.67997  -0.00005   0.00039  -0.00032   0.00007   2.68004
   R89        2.64133  -0.00003   0.00045  -0.00020   0.00025   2.64158
   R90        2.73623  -0.00001  -0.00020   0.00010  -0.00009   2.73613
   R91        2.64524  -0.00014   0.00019  -0.00026  -0.00006   2.64518
   R92        2.67993  -0.00003   0.00038  -0.00028   0.00010   2.68003
   R93        2.64530  -0.00016   0.00021  -0.00029  -0.00008   2.64522
   R94        2.64128  -0.00002   0.00044  -0.00020   0.00024   2.64152
   R95        2.67963  -0.00002   0.00046  -0.00027   0.00019   2.67982
   R96        2.64129  -0.00003   0.00046  -0.00021   0.00025   2.64154
   R97        2.73622  -0.00001  -0.00022   0.00010  -0.00011   2.73611
   R98        2.64524  -0.00014   0.00024  -0.00028  -0.00004   2.64520
   R99        2.67983  -0.00003   0.00045  -0.00027   0.00017   2.68000
   R100       2.64516  -0.00014   0.00021  -0.00026  -0.00005   2.64511
   R101       2.64131  -0.00003   0.00044  -0.00020   0.00025   2.64156
   R102       2.62963  -0.00004  -0.00022   0.00008  -0.00014   2.62948
   R103       2.05266   0.00000  -0.00007   0.00007  -0.00000   2.05266
   R104       2.65534  -0.00009   0.00047  -0.00025   0.00022   2.65556
   R105       2.05150  -0.00003  -0.00001  -0.00002  -0.00004   2.05146
   R106       2.63253   0.00005  -0.00043   0.00025  -0.00018   2.63235
   R107       2.05225  -0.00001  -0.00010   0.00008  -0.00002   2.05223
   R108       2.04890  -0.00007  -0.00019   0.00015  -0.00004   2.04886
   R109       2.63256   0.00005  -0.00045   0.00026  -0.00019   2.63237
   R110       2.04894  -0.00007  -0.00017   0.00011  -0.00006   2.04888
   R111       2.65532  -0.00009   0.00047  -0.00024   0.00022   2.65554
   R112       2.05228  -0.00001  -0.00011   0.00009  -0.00002   2.05226
   R113       2.62971  -0.00005  -0.00019   0.00004  -0.00015   2.62956
   R114       2.05154  -0.00003  -0.00002  -0.00002  -0.00004   2.05150
   R115       2.05267   0.00000  -0.00008   0.00007  -0.00001   2.05266
   R116       2.62968  -0.00005  -0.00026   0.00009  -0.00017   2.62951
   R117       2.05274  -0.00000  -0.00009   0.00007  -0.00003   2.05271
   R118       2.65563  -0.00012   0.00038  -0.00027   0.00011   2.65574
   R119       2.05159  -0.00003  -0.00002  -0.00003  -0.00005   2.05154
   R120       2.63241   0.00005  -0.00039   0.00024  -0.00015   2.63226
   R121       2.05230  -0.00001  -0.00013   0.00010  -0.00004   2.05227
   R122       2.04903  -0.00008  -0.00025   0.00013  -0.00012   2.04891
   R123       2.63239   0.00005  -0.00039   0.00025  -0.00015   2.63224
   R124       2.04907  -0.00008  -0.00026   0.00013  -0.00013   2.04894
   R125       2.65566  -0.00012   0.00037  -0.00027   0.00010   2.65576
   R126       2.05231  -0.00001  -0.00012   0.00009  -0.00004   2.05228
   R127       2.62969  -0.00005  -0.00025   0.00008  -0.00017   2.62952
   R128       2.05158  -0.00003  -0.00002  -0.00003  -0.00005   2.05153
   R129       2.05273  -0.00000  -0.00009   0.00007  -0.00003   2.05271
   R130       2.62976  -0.00006  -0.00023   0.00005  -0.00018   2.62958
   R131       2.05269   0.00000  -0.00008   0.00007  -0.00001   2.05268
   R132       2.65547  -0.00011   0.00042  -0.00026   0.00016   2.65563
   R133       2.05156  -0.00003  -0.00002  -0.00002  -0.00004   2.05152
   R134       2.63253   0.00004  -0.00041   0.00023  -0.00018   2.63235
   R135       2.05232  -0.00001  -0.00012   0.00009  -0.00002   2.05230
   R136       2.04904  -0.00008  -0.00020   0.00009  -0.00011   2.04893
   R137       2.63245   0.00004  -0.00042   0.00024  -0.00018   2.63226
   R138       2.04900  -0.00008  -0.00027   0.00015  -0.00012   2.04888
   R139       2.65555  -0.00011   0.00041  -0.00024   0.00016   2.65571
   R140       2.05225  -0.00001  -0.00012   0.00010  -0.00002   2.05223
   R141       2.62964  -0.00006  -0.00025   0.00007  -0.00018   2.62946
   R142       2.05154  -0.00003  -0.00001  -0.00003  -0.00004   2.05150
   R143       2.05270  -0.00000  -0.00008   0.00007  -0.00001   2.05269
   R144       2.78197  -0.00017   0.00117  -0.00041   0.00076   2.78272
   R145       3.01452   0.00059   0.00162   0.00171   0.00320   3.01772
   R146       3.04456   0.00012  -0.00056   0.00110   0.00055   3.04511
   R147       2.77760  -0.00033  -0.00436   0.00017  -0.00394   2.77365
   R148       2.75800  -0.00006  -0.00087   0.00015  -0.00071   2.75729
   R149       2.86147   0.00003   0.00078   0.00026   0.00104   2.86251
   R150       2.06230  -0.00007   0.00022   0.00010   0.00056   2.06285
   R151       2.06241  -0.00010   0.00035  -0.00003   0.00037   2.06278
   R152       2.06852  -0.00002  -0.00009   0.00015   0.00006   2.06859
   R153       2.06708  -0.00000   0.00016  -0.00015   0.00001   2.06709
   R154       2.06690  -0.00002  -0.00005  -0.00002  -0.00007   2.06683
   R155       2.86322  -0.00000   0.00038  -0.00016   0.00022   2.86344
   R156       2.06915  -0.00002  -0.00007   0.00014   0.00007   2.06923
   R157       2.06711   0.00001  -0.00015   0.00018   0.00003   2.06714
   R158       2.06640  -0.00004   0.00000  -0.00003  -0.00003   2.06637
   R159       2.06814   0.00001   0.00009  -0.00006   0.00003   2.06817
   R160       2.06617  -0.00004  -0.00007   0.00001  -0.00007   2.06610
   R161       5.58975   0.00003   0.04539   0.00045   0.04638   5.63613
   R162       5.96168   0.00005   0.05901   0.00294   0.06151   6.02319
    A1        2.06586  -0.00014  -0.00093   0.00053  -0.00042   2.06545
    A2        2.10831   0.00005   0.00099  -0.00106  -0.00007   2.10824
    A3        2.10902   0.00009  -0.00006   0.00053   0.00048   2.10950
    A4        2.12830  -0.00001   0.00145  -0.00138  -0.00001   2.12830
    A5        2.06563   0.00015  -0.00052   0.00133   0.00086   2.06649
    A6        2.08828  -0.00014  -0.00108   0.00019  -0.00084   2.08744
    A7        2.06911   0.00002  -0.00080   0.00139   0.00067   2.06978
    A8        2.14268  -0.00024   0.00152  -0.00155   0.00027   2.14295
    A9        2.06856   0.00021  -0.00098   0.00017  -0.00123   2.06733
   A10        2.09097  -0.00002  -0.00037  -0.00028  -0.00065   2.09032
   A11        2.10071  -0.00000   0.00027  -0.00062  -0.00059   2.10013
   A12        2.09087   0.00002   0.00018   0.00090   0.00126   2.09213
   A13        2.10574   0.00002   0.00083  -0.00046   0.00032   2.10606
   A14        2.06606  -0.00006   0.00098  -0.00075   0.00025   2.06631
   A15        2.11125   0.00004  -0.00179   0.00120  -0.00056   2.11069
   A16        2.10477   0.00013  -0.00034   0.00031  -0.00002   2.10475
   A17        2.08847  -0.00011   0.00125  -0.00109   0.00016   2.08862
   A18        2.08993  -0.00002  -0.00092   0.00078  -0.00014   2.08979
   A19        2.09480   0.00020  -0.00184   0.00126  -0.00082   2.09398
   A20        2.11262  -0.00021   0.00104  -0.00252  -0.00131   2.11131
   A21        2.06954   0.00001   0.00004   0.00133   0.00142   2.07097
   A22        2.07928  -0.00036  -0.00018  -0.00108  -0.00127   2.07802
   A23        2.06961   0.00008   0.00091  -0.00073   0.00008   2.06969
   A24        2.12848   0.00028  -0.00002   0.00141   0.00143   2.12991
   A25        1.99768   0.00002  -0.01349  -0.00008  -0.01461   1.98307
   A26        2.09908  -0.00002  -0.00840  -0.00216  -0.01146   2.08762
   A27        1.82739   0.00010   0.00653   0.00175   0.00870   1.83610
   A28        2.04745  -0.00015  -0.00483  -0.00032  -0.00627   2.04117
   A29        1.57764   0.00050   0.02879   0.00400   0.03323   1.61087
   A30        2.04555  -0.00017  -0.00399  -0.00018  -0.00445   2.04110
   A31        2.07886   0.00027   0.00088   0.00057   0.00118   2.08005
   A32        2.15747  -0.00010   0.00291  -0.00036   0.00287   2.16034
   A33        2.13759  -0.00007  -0.00001  -0.00087  -0.00096   2.13663
   A34        2.08292  -0.00020   0.00116  -0.00135  -0.00015   2.08277
   A35        2.06003   0.00027  -0.00114   0.00209   0.00099   2.06102
   A36        2.05955  -0.00017  -0.00014  -0.00022  -0.00039   2.05916
   A37        2.10660   0.00010  -0.00053   0.00054   0.00002   2.10662
   A38        2.11624   0.00007   0.00071  -0.00034   0.00038   2.11662
   A39        2.10308   0.00020  -0.00037   0.00081   0.00044   2.10352
   A40        2.09373  -0.00008   0.00132  -0.00105   0.00028   2.09401
   A41        2.08623  -0.00012  -0.00094   0.00021  -0.00072   2.08550
   A42        2.12012  -0.00004  -0.00029  -0.00012  -0.00044   2.11969
   A43        2.09553  -0.00004   0.00190  -0.00051   0.00140   2.09692
   A44        2.06699   0.00009  -0.00142   0.00057  -0.00084   2.06616
   A45        2.07701  -0.00010   0.00140  -0.00060   0.00101   2.07802
   A46        2.06769  -0.00017  -0.00671   0.00096  -0.00589   2.06180
   A47        2.07261   0.00027   0.00068   0.00080   0.00110   2.07371
   A48        1.99356   0.00015   0.01412   0.00182   0.01581   2.00937
   A49        1.52995  -0.00016  -0.00331   0.00172  -0.00167   1.52828
   A50        2.07085  -0.00009   0.00139   0.00005   0.00141   2.07227
   A51        2.15081  -0.00006   0.00001   0.00002   0.00005   2.15086
   A52        2.06009   0.00015  -0.00133  -0.00004  -0.00139   2.05870
   A53        2.13974   0.00018   0.00025   0.00039   0.00041   2.14015
   A54        2.09671   0.00001   0.00076   0.00050   0.00134   2.09805
   A55        2.04667  -0.00018  -0.00104  -0.00088  -0.00177   2.04490
   A56        2.07328   0.00027   0.00006   0.00088   0.00090   2.07418
   A57        2.10599  -0.00012   0.00145  -0.00046   0.00097   2.10696
   A58        2.10393   0.00004   0.00019   0.00025   0.00043   2.10436
   A59        2.07324   0.00008  -0.00159   0.00021  -0.00139   2.07186
   A60        2.13051   0.00006  -0.00070   0.00042  -0.00029   2.13022
   A61        2.06811  -0.00004  -0.00051   0.00035  -0.00016   2.06795
   A62        2.08443  -0.00003   0.00119  -0.00077   0.00042   2.08484
   A63        2.04559  -0.00009  -0.00077   0.00001  -0.00079   2.04480
   A64        2.11656   0.00013   0.00104  -0.00017   0.00089   2.11745
   A65        2.12103  -0.00004  -0.00027   0.00016  -0.00010   2.12093
   A66        2.12726  -0.00000   0.00066  -0.00045   0.00017   2.12743
   A67        2.03480  -0.00000  -0.00001   0.00043   0.00044   2.03523
   A68        2.12081   0.00000  -0.00064   0.00002  -0.00060   2.12021
   A69        2.10981   0.00020   0.00008   0.00058   0.00066   2.11047
   A70        2.11572   0.00004   0.00106  -0.00092   0.00015   2.11587
   A71        2.05765  -0.00024  -0.00114   0.00034  -0.00081   2.05684
   A72        2.11538   0.00011   0.00063  -0.00056   0.00007   2.11544
   A73        2.10858   0.00007   0.00003   0.00020   0.00022   2.10881
   A74        2.05922  -0.00017  -0.00065   0.00036  -0.00029   2.05893
   A75        2.11312   0.00019   0.00029  -0.00005   0.00025   2.11336
   A76        2.11199  -0.00005   0.00074  -0.00035   0.00039   2.11238
   A77        2.05808  -0.00014  -0.00103   0.00040  -0.00063   2.05744
   A78        2.11512   0.00009   0.00036  -0.00015   0.00021   2.11533
   A79        2.08625  -0.00003   0.00095  -0.00068   0.00026   2.08651
   A80        2.08102  -0.00006  -0.00120   0.00070  -0.00051   2.08051
   A81        2.09839  -0.00004   0.00085  -0.00067   0.00018   2.09857
   A82        2.09962   0.00002  -0.00166   0.00084  -0.00082   2.09880
   A83        2.08492   0.00002   0.00083  -0.00021   0.00063   2.08555
   A84        2.08002   0.00006  -0.00178   0.00130  -0.00048   2.07954
   A85        2.10131  -0.00003   0.00091  -0.00056   0.00036   2.10167
   A86        2.10185  -0.00002   0.00086  -0.00074   0.00012   2.10198
   A87        2.09824  -0.00002   0.00101  -0.00081   0.00020   2.09845
   A88        2.08537  -0.00000   0.00076  -0.00026   0.00050   2.08587
   A89        2.09930   0.00002  -0.00177   0.00106  -0.00071   2.09859
   A90        2.11515   0.00009   0.00021  -0.00002   0.00019   2.11533
   A91        2.08400  -0.00003   0.00081  -0.00055   0.00026   2.08426
   A92        2.08316  -0.00006  -0.00099   0.00050  -0.00049   2.08267
   A93        2.11585   0.00010   0.00057  -0.00010   0.00047   2.11632
   A94        2.08520  -0.00007   0.00059  -0.00057   0.00003   2.08522
   A95        2.08117  -0.00003  -0.00125   0.00072  -0.00052   2.08065
   A96        2.09832  -0.00002   0.00111  -0.00072   0.00038   2.09871
   A97        2.09954   0.00002  -0.00196   0.00092  -0.00104   2.09850
   A98        2.08507   0.00000   0.00085  -0.00021   0.00064   2.08571
   A99        2.08019   0.00004  -0.00219   0.00125  -0.00094   2.07925
   A100       2.10145   0.00007   0.00104  -0.00034   0.00070   2.10215
   A101       2.10154  -0.00011   0.00115  -0.00091   0.00024   2.10179
   A102       2.09787  -0.00001   0.00119  -0.00072   0.00047   2.09834
   A103       2.08501  -0.00001   0.00086  -0.00027   0.00059   2.08560
   A104       2.10005   0.00002  -0.00206   0.00098  -0.00108   2.09897
   A105       2.11630   0.00013   0.00048  -0.00003   0.00045   2.11675
   A106       2.08530  -0.00005   0.00069  -0.00064   0.00005   2.08536
   A107       2.08066  -0.00008  -0.00131   0.00075  -0.00055   2.08011
   A108       2.11607   0.00005   0.00054  -0.00020   0.00034   2.11641
   A109       2.08649  -0.00001   0.00036  -0.00044  -0.00008   2.08641
   A110       2.07981  -0.00004  -0.00090   0.00062  -0.00027   2.07953
   A111       2.09813  -0.00002   0.00096  -0.00061   0.00035   2.09848
   A112       2.09974   0.00001  -0.00181   0.00083  -0.00098   2.09876
   A113       2.08507   0.00001   0.00086  -0.00025   0.00061   2.08569
   A114       2.07978   0.00003  -0.00198   0.00121  -0.00078   2.07900
   A115       2.10147  -0.00000   0.00104  -0.00056   0.00048   2.10195
   A116       2.10194  -0.00003   0.00094  -0.00065   0.00029   2.10224
   A117       2.09856  -0.00002   0.00112  -0.00080   0.00032   2.09888
   A118       2.08513   0.00001   0.00074  -0.00015   0.00059   2.08573
   A119       2.09925   0.00001  -0.00186   0.00092  -0.00094   2.09831
   A120       2.11560   0.00010   0.00040   0.00001   0.00042   2.11602
   A121       2.08493  -0.00005   0.00056  -0.00048   0.00009   2.08501
   A122       2.08195  -0.00005  -0.00100   0.00046  -0.00054   2.08141
   A123       2.19614   0.00001   0.00001  -0.00012  -0.00011   2.19603
   A124       2.19597   0.00009  -0.00005   0.00020   0.00015   2.19612
   A125       1.89106  -0.00010   0.00005  -0.00008  -0.00003   1.89103
   A126       2.19648   0.00001  -0.00016   0.00021   0.00005   2.19653
   A127       2.19616   0.00002  -0.00002  -0.00023  -0.00026   2.19590
   A128       1.89054  -0.00003   0.00018   0.00002   0.00021   1.89075
   A129       2.19598   0.00006   0.00003   0.00002   0.00005   2.19604
   A130       2.19639   0.00001  -0.00010  -0.00001  -0.00011   2.19628
   A131       1.89081  -0.00007   0.00006  -0.00002   0.00006   1.89087
   A132       1.90131   0.00001   0.00020  -0.00019   0.00001   1.90132
   A133       2.26068  -0.00003   0.00096  -0.00051   0.00044   2.26112
   A134       2.12057   0.00002  -0.00114   0.00070  -0.00045   2.12012
   A135       1.86582  -0.00000  -0.00029   0.00018  -0.00012   1.86570
   A136       2.08689   0.00000   0.00066  -0.00037   0.00029   2.08718
   A137       2.33040  -0.00000  -0.00038   0.00020  -0.00019   2.33021
   A138       1.86586  -0.00001  -0.00022   0.00006  -0.00016   1.86570
   A139       2.33030   0.00001  -0.00051   0.00039  -0.00013   2.33017
   A140       2.08696   0.00000   0.00071  -0.00044   0.00027   2.08723
   A141       1.90125   0.00002   0.00013  -0.00007   0.00005   1.90130
   A142       2.26083  -0.00005   0.00108  -0.00071   0.00036   2.26119
   A143       2.12049   0.00002  -0.00119   0.00079  -0.00040   2.12008
   A144       1.90151   0.00002   0.00013  -0.00012   0.00000   1.90152
   A145       2.25988   0.00002   0.00125  -0.00049   0.00075   2.26062
   A146       2.12126  -0.00004  -0.00138   0.00060  -0.00078   2.12048
   A147       1.86535   0.00003  -0.00015   0.00016   0.00001   1.86537
   A148       2.08628   0.00004   0.00083  -0.00029   0.00054   2.08683
   A149       2.33148  -0.00008  -0.00070   0.00013  -0.00058   2.33091
   A150       1.86536   0.00004  -0.00014   0.00019   0.00004   1.86540
   A151       2.33150  -0.00009  -0.00071   0.00010  -0.00062   2.33088
   A152       2.08627   0.00004   0.00084  -0.00028   0.00055   2.08683
   A153       1.90148   0.00001   0.00012  -0.00014  -0.00003   1.90145
   A154       2.25996   0.00004   0.00126  -0.00048   0.00077   2.26073
   A155       2.12127  -0.00004  -0.00137   0.00059  -0.00078   2.12048
   A156       1.90140   0.00001   0.00016  -0.00015   0.00001   1.90141
   A157       2.26014   0.00003   0.00122  -0.00051   0.00069   2.26083
   A158       2.12111  -0.00003  -0.00137   0.00065  -0.00073   2.12038
   A159       1.86558   0.00002  -0.00021   0.00016  -0.00004   1.86553
   A160       2.08653   0.00004   0.00079  -0.00030   0.00049   2.08703
   A161       2.33101  -0.00006  -0.00060   0.00014  -0.00047   2.33054
   A162       1.86554   0.00002  -0.00022   0.00015  -0.00006   1.86548
   A163       2.33106  -0.00005  -0.00057   0.00015  -0.00043   2.33062
   A164       2.08652   0.00003   0.00078  -0.00030   0.00048   2.08700
   A165       1.90144   0.00002   0.00020  -0.00015   0.00004   1.90148
   A166       2.26032   0.00001   0.00111  -0.00047   0.00063   2.26094
   A167       2.12089  -0.00002  -0.00129   0.00060  -0.00070   2.12019
   A168       2.07969   0.00003  -0.00005   0.00007   0.00002   2.07971
   A169       2.10066  -0.00007   0.00037  -0.00051  -0.00014   2.10051
   A170       2.10282   0.00004  -0.00031   0.00044   0.00012   2.10295
   A171       2.10399  -0.00003  -0.00025   0.00007  -0.00017   2.10381
   A172       2.09171   0.00005  -0.00003   0.00021   0.00018   2.09189
   A173       2.08748  -0.00002   0.00027  -0.00028  -0.00001   2.08747
   A174       2.11955   0.00004   0.00006   0.00008   0.00014   2.11969
   A175       2.08509   0.00000  -0.00027   0.00018  -0.00009   2.08500
   A176       2.07854  -0.00004   0.00021  -0.00026  -0.00006   2.07848
   A177       2.05549  -0.00006   0.00074  -0.00058   0.00017   2.05566
   A178       2.11790   0.00000   0.00042  -0.00025   0.00018   2.11807
   A179       2.10978   0.00006  -0.00116   0.00082  -0.00034   2.10944
   A180       2.05541  -0.00007   0.00076  -0.00059   0.00018   2.05559
   A181       2.11785   0.00002   0.00043  -0.00019   0.00024   2.11809
   A182       2.10990   0.00005  -0.00119   0.00078  -0.00041   2.10948
   A183       2.11959   0.00004   0.00001   0.00015   0.00015   2.11974
   A184       2.07846  -0.00005   0.00025  -0.00032  -0.00007   2.07839
   A185       2.08513   0.00000  -0.00027   0.00018  -0.00009   2.08504
   A186       2.10398  -0.00003  -0.00021   0.00003  -0.00018   2.10380
   A187       2.08759  -0.00002   0.00025  -0.00024   0.00001   2.08760
   A188       2.09160   0.00005  -0.00004   0.00021   0.00017   2.09177
   A189       2.07971   0.00003  -0.00004   0.00007   0.00003   2.07974
   A190       2.10064  -0.00007   0.00038  -0.00051  -0.00013   2.10050
   A191       2.10282   0.00004  -0.00033   0.00044   0.00010   2.10292
   A192       2.07975   0.00004  -0.00006   0.00008   0.00002   2.07978
   A193       2.10075  -0.00009   0.00039  -0.00057  -0.00018   2.10058
   A194       2.10267   0.00005  -0.00033   0.00048   0.00015   2.10282
   A195       2.10428  -0.00005  -0.00027  -0.00004  -0.00031   2.10397
   A196       2.09150   0.00006  -0.00002   0.00025   0.00023   2.09173
   A197       2.08740  -0.00001   0.00029  -0.00022   0.00007   2.08748
   A198       2.11949   0.00005   0.00004   0.00015   0.00019   2.11968
   A199       2.08501   0.00001  -0.00025   0.00023  -0.00002   2.08499
   A200       2.07868  -0.00006   0.00021  -0.00038  -0.00017   2.07851
   A201       2.05514  -0.00004   0.00085  -0.00052   0.00033   2.05547
   A202       2.11721   0.00003   0.00070  -0.00021   0.00049   2.11770
   A203       2.11082   0.00002  -0.00154   0.00073  -0.00082   2.11000
   A204       2.05513  -0.00004   0.00086  -0.00052   0.00034   2.05547
   A205       2.11698   0.00004   0.00060  -0.00009   0.00051   2.11749
   A206       2.11105   0.00000  -0.00146   0.00061  -0.00085   2.11020
   A207       2.11948   0.00005   0.00004   0.00014   0.00018   2.11966
   A208       2.07874  -0.00006   0.00021  -0.00037  -0.00016   2.07858
   A209       2.08495   0.00001  -0.00025   0.00023  -0.00002   2.08493
   A210       2.10430  -0.00005  -0.00028  -0.00003  -0.00031   2.10398
   A211       2.08738  -0.00001   0.00030  -0.00023   0.00007   2.08745
   A212       2.09150   0.00006  -0.00002   0.00025   0.00024   2.09174
   A213       2.07975   0.00004  -0.00005   0.00008   0.00003   2.07978
   A214       2.10074  -0.00008   0.00037  -0.00054  -0.00017   2.10057
   A215       2.10268   0.00004  -0.00032   0.00046   0.00014   2.10282
   A216       2.07981   0.00004  -0.00005   0.00008   0.00003   2.07984
   A217       2.10067  -0.00008   0.00037  -0.00052  -0.00016   2.10052
   A218       2.10269   0.00004  -0.00032   0.00045   0.00013   2.10282
   A219       2.10413  -0.00004  -0.00026  -0.00002  -0.00028   2.10385
   A220       2.09154   0.00005  -0.00002   0.00024   0.00022   2.09176
   A221       2.08750  -0.00001   0.00029  -0.00023   0.00006   2.08756
   A222       2.11947   0.00005   0.00004   0.00015   0.00019   2.11966
   A223       2.08500   0.00000  -0.00027   0.00021  -0.00006   2.08494
   A224       2.07871  -0.00006   0.00022  -0.00036  -0.00014   2.07857
   A225       2.05537  -0.00005   0.00082  -0.00053   0.00028   2.05566
   A226       2.11729   0.00003   0.00054  -0.00020   0.00034   2.11764
   A227       2.11050   0.00003  -0.00135   0.00073  -0.00063   2.10988
   A228       2.05513  -0.00005   0.00087  -0.00057   0.00030   2.05543
   A229       2.11768   0.00003   0.00051  -0.00015   0.00036   2.11804
   A230       2.11036   0.00002  -0.00138   0.00072  -0.00066   2.10970
   A231       2.11957   0.00005   0.00003   0.00016   0.00020   2.11976
   A232       2.07854  -0.00006   0.00024  -0.00039  -0.00015   2.07840
   A233       2.08507   0.00001  -0.00028   0.00023  -0.00005   2.08502
   A234       2.10420  -0.00004  -0.00028  -0.00000  -0.00029   2.10392
   A235       2.08743  -0.00001   0.00030  -0.00024   0.00006   2.08749
   A236       2.09155   0.00005  -0.00002   0.00024   0.00022   2.09177
   A237       2.07966   0.00004  -0.00002   0.00005   0.00003   2.07969
   A238       2.10075  -0.00008   0.00038  -0.00055  -0.00016   2.10059
   A239       2.10277   0.00004  -0.00036   0.00050   0.00014   2.10290
   A240       2.02377   0.00015  -0.00005   0.00114   0.00157   2.02533
   A241       1.82810   0.00006   0.00207   0.00097   0.00204   1.83014
   A242       1.71139  -0.00035   0.00286  -0.00077   0.00204   1.71343
   A243       2.04381  -0.00011  -0.00213  -0.00207  -0.00417   2.03964
   A244       2.03157   0.00002  -0.00190  -0.00047  -0.00247   2.02910
   A245       1.77922   0.00021   0.00017   0.00155   0.00227   1.78149
   A246       2.12634   0.00003  -0.00143  -0.00002  -0.00229   2.12405
   A247       2.06034   0.00005  -0.00198   0.00149  -0.00049   2.05985
   A248       1.87440   0.00011   0.00050   0.00186   0.00237   1.87677
   A249       1.86982  -0.00003   0.00138  -0.00127  -0.00010   1.86971
   A250       1.89326   0.00001   0.00052   0.00044   0.00121   1.89447
   A251       1.96686  -0.00008  -0.00278  -0.00113  -0.00342   1.96343
   A252       1.96716  -0.00007  -0.00312   0.00011  -0.00322   1.96394
   A253       1.88867   0.00007   0.00379  -0.00003   0.00342   1.89209
   A254       1.90824  -0.00014   0.00081  -0.00003   0.00078   1.90902
   A255       1.93949   0.00006  -0.00014  -0.00011  -0.00025   1.93924
   A256       1.93913   0.00003  -0.00007  -0.00018  -0.00025   1.93888
   A257       1.88983   0.00004  -0.00022   0.00016  -0.00007   1.88976
   A258       1.88924   0.00005   0.00013   0.00003   0.00016   1.88940
   A259       1.89658  -0.00003  -0.00051   0.00014  -0.00037   1.89621
   A260       1.88144  -0.00006   0.00048  -0.00024   0.00025   1.88169
   A261       1.88938   0.00005   0.00005   0.00006   0.00011   1.88949
   A262       1.89361   0.00001   0.00028   0.00016   0.00043   1.89405
   A263       1.94743   0.00003  -0.00059   0.00037  -0.00022   1.94722
   A264       1.95144   0.00003  -0.00100   0.00031  -0.00070   1.95074
   A265       1.89878  -0.00005   0.00083  -0.00066   0.00017   1.89895
   A266       1.93752  -0.00001   0.00022  -0.00019   0.00003   1.93755
   A267       1.91307  -0.00002   0.00039  -0.00021   0.00017   1.91325
   A268       1.93528  -0.00005  -0.00010  -0.00020  -0.00030   1.93498
   A269       1.89140   0.00002  -0.00021   0.00027   0.00006   1.89146
   A270       1.89356   0.00002  -0.00013   0.00007  -0.00005   1.89351
   A271       1.89186   0.00003  -0.00020   0.00029   0.00009   1.89195
   A272       1.88940  -0.00004  -0.00948   0.00086  -0.00960   1.87979
   A273       1.69003  -0.00005  -0.01534  -0.00045  -0.01607   1.67395
   A274       1.71100   0.00042   0.03088   0.00233   0.03276   1.74376
   A275       1.77351   0.00037   0.01414   0.00165   0.01543   1.78894
   A276       1.24515   0.00005   0.02451   0.00082   0.02466   1.26981
   A277       1.34386   0.00001   0.00904   0.00055   0.00891   1.35277
   A278       0.58348  -0.00001  -0.00482  -0.00022  -0.00497   0.57852
    D1        0.01291  -0.00003  -0.00027  -0.00059  -0.00084   0.01207
    D2        3.10708   0.00007  -0.00364   0.00294  -0.00069   3.10639
    D3       -3.12798  -0.00003  -0.00037  -0.00109  -0.00145  -3.12943
    D4       -0.03381   0.00006  -0.00375   0.00244  -0.00129  -0.03510
    D5       -0.03164   0.00001  -0.00250   0.00119  -0.00130  -0.03293
    D6        3.10433   0.00005  -0.00430   0.00152  -0.00279   3.10154
    D7        3.10925   0.00002  -0.00239   0.00169  -0.00069   3.10856
    D8       -0.03796   0.00006  -0.00419   0.00202  -0.00219  -0.04015
    D9        2.44860   0.00031  -0.00224   0.00615   0.00392   2.45252
   D10       -0.69207   0.00029  -0.00216   0.00592   0.00377  -0.68830
   D11       -0.69228   0.00031  -0.00233   0.00564   0.00330  -0.68898
   D12        2.45024   0.00029  -0.00226   0.00542   0.00315   2.45339
   D13        0.03288   0.00001   0.00351  -0.00099   0.00251   0.03539
   D14       -3.02663   0.00002   0.00762  -0.00098   0.00670  -3.01993
   D15       -3.06069  -0.00009   0.00692  -0.00459   0.00230  -3.05839
   D16        0.16299  -0.00008   0.01103  -0.00459   0.00649   0.16948
   D17       -0.06051   0.00002  -0.00403   0.00200  -0.00203  -0.06254
   D18        3.04280   0.00004  -0.00320   0.00193  -0.00124   3.04156
   D19        3.00253  -0.00001  -0.00784   0.00191  -0.00597   2.99656
   D20       -0.17734   0.00000  -0.00701   0.00184  -0.00518  -0.18252
   D21       -2.97051   0.00013   0.00482   0.00404   0.00887  -2.96164
   D22        0.29252   0.00013   0.01204   0.00330   0.01542   0.30794
   D23        0.25314   0.00015   0.00890   0.00399   0.01297   0.26612
   D24       -2.76701   0.00015   0.01613   0.00325   0.01951  -2.74750
   D25        0.04305  -0.00004   0.00144  -0.00149  -0.00006   0.04299
   D26       -3.11620  -0.00006   0.00283  -0.00184   0.00098  -3.11522
   D27       -3.06048  -0.00005   0.00059  -0.00138  -0.00080  -3.06128
   D28        0.06345  -0.00008   0.00199  -0.00173   0.00024   0.06369
   D29       -0.26118  -0.00014  -0.01717  -0.00483  -0.02210  -0.28327
   D30        2.93314  -0.00012  -0.00919  -0.00527  -0.01456   2.91858
   D31        2.84214  -0.00012  -0.01637  -0.00493  -0.02135   2.82079
   D32       -0.24673  -0.00011  -0.00838  -0.00537  -0.01381  -0.26054
   D33        0.00387   0.00002   0.00193  -0.00018   0.00174   0.00561
   D34       -3.13209  -0.00002   0.00375  -0.00050   0.00324  -3.12886
   D35       -3.11960   0.00004   0.00047   0.00020   0.00066  -3.11894
   D36        0.02763   0.00000   0.00229  -0.00012   0.00216   0.02978
   D37        0.12099  -0.00007   0.01385  -0.00637   0.00761   0.12860
   D38       -2.90728  -0.00006   0.00765  -0.00256   0.00517  -2.90211
   D39       -3.13907  -0.00009   0.00687  -0.00591   0.00104  -3.13803
   D40        0.11585  -0.00008   0.00067  -0.00210  -0.00140   0.11445
   D41        2.98038   0.00009  -0.00838   0.00287  -0.00560   2.97478
   D42       -0.08157   0.00002  -0.00846   0.00474  -0.00378  -0.08534
   D43       -0.04150   0.00007  -0.00111   0.00213   0.00101  -0.04049
   D44       -3.10344   0.00001  -0.00120   0.00401   0.00283  -3.10061
   D45       -0.54617  -0.00004  -0.03426   0.00344  -0.03057  -0.57674
   D46       -3.13118   0.00029   0.01879   0.00816   0.02650  -3.10468
   D47        1.15209   0.00059  -0.00232   0.00885   0.00685   1.15894
   D48        2.47812  -0.00007  -0.02776  -0.00066  -0.02814   2.44998
   D49       -0.10689   0.00027   0.02528   0.00406   0.02893  -0.07796
   D50       -2.10681   0.00056   0.00418   0.00476   0.00928  -2.09753
   D51       -0.10283   0.00003   0.00040   0.00042   0.00077  -0.10207
   D52        3.00283   0.00005   0.00668  -0.00155   0.00512   3.00795
   D53       -3.12775   0.00008  -0.00600   0.00452  -0.00157  -3.12931
   D54       -0.02208   0.00011   0.00028   0.00255   0.00279  -0.01930
   D55        0.61229   0.00020   0.03479   0.00249   0.03699   0.64928
   D56       -2.58461   0.00020   0.02635   0.00298   0.02900  -2.55561
   D57       -3.06857  -0.00008  -0.01772  -0.00271  -0.02011  -3.08868
   D58        0.01771  -0.00008  -0.02617  -0.00222  -0.02810  -0.01039
   D59       -1.24431  -0.00015   0.01548  -0.00134   0.01397  -1.23034
   D60        1.84197  -0.00015   0.00703  -0.00085   0.00598   1.84795
   D61        2.54434  -0.00014  -0.02450  -0.00319  -0.02759   2.51675
   D62       -0.98361  -0.00007  -0.03789   0.00023  -0.03779  -1.02139
   D63       -0.02538   0.00015   0.03253   0.00160   0.03394   0.00856
   D64        2.72986   0.00021   0.01915   0.00503   0.02374   2.75360
   D65        2.36348  -0.00004  -0.00265  -0.00312  -0.00621   2.35728
   D66        1.77436  -0.00007  -0.00232  -0.00318  -0.00543   1.76893
   D67       -1.90457   0.00014  -0.00752  -0.00180  -0.00998  -1.91455
   D68       -2.49369   0.00011  -0.00720  -0.00186  -0.00921  -2.50289
   D69        3.09613  -0.00005  -0.00386   0.00182  -0.00221   3.09393
   D70        0.01085  -0.00004   0.00483   0.00134   0.00612   0.01697
   D71       -0.04921   0.00001   0.00056  -0.00038   0.00020  -0.04901
   D72        3.13485  -0.00002  -0.00049   0.00048   0.00001   3.13486
   D73        3.01373   0.00005   0.00075  -0.00238  -0.00165   3.01208
   D74       -0.08540   0.00003  -0.00030  -0.00152  -0.00184  -0.08724
   D75        0.06470  -0.00005   0.00043  -0.00141  -0.00096   0.06374
   D76       -3.09536  -0.00003   0.00184  -0.00333  -0.00149  -3.09685
   D77       -3.11961  -0.00003   0.00146  -0.00225  -0.00078  -3.12039
   D78        0.00352  -0.00001   0.00287  -0.00417  -0.00131   0.00221
   D79        2.40347   0.00061  -0.01564   0.00841  -0.00723   2.39624
   D80       -0.73876   0.00060  -0.01466   0.00769  -0.00698  -0.74574
   D81       -0.69426   0.00059  -0.01670   0.00929  -0.00741  -0.70167
   D82        2.44669   0.00059  -0.01572   0.00857  -0.00715   2.43954
   D83        0.01130   0.00003  -0.00096   0.00145   0.00048   0.01178
   D84       -3.09493   0.00001  -0.00722   0.00341  -0.00385  -3.09878
   D85       -3.11191   0.00001  -0.00239   0.00338   0.00100  -3.11091
   D86        0.06504  -0.00001  -0.00864   0.00533  -0.00333   0.06172
   D87        0.00657  -0.00012  -0.02017  -0.00035  -0.02066  -0.01409
   D88       -3.07620  -0.00014  -0.02109  -0.00092  -0.02214  -3.09834
   D89       -2.74758  -0.00009  -0.00514  -0.00382  -0.00884  -2.75642
   D90        0.45284  -0.00011  -0.00605  -0.00439  -0.01032   0.44252
   D91       -0.97975  -0.00004  -0.00013   0.00000   0.00001  -0.97974
   D92        2.22066  -0.00006  -0.00105  -0.00057  -0.00148   2.21919
   D93        0.12771   0.00017   0.02125   0.00039   0.02176   0.14946
   D94       -2.15330   0.00016   0.02237   0.00147   0.02442  -2.12888
   D95        2.30297   0.00003   0.02085  -0.00014   0.02094   2.32391
   D96        2.88393   0.00015   0.00808   0.00349   0.01157   2.89551
   D97        0.60293   0.00014   0.00920   0.00458   0.01423   0.61716
   D98       -1.22399   0.00001   0.00768   0.00297   0.01076  -1.21323
   D99        0.85091   0.00001  -0.00640   0.00018  -0.00610   0.84481
   D100      -1.43009  -0.00001  -0.00528   0.00126  -0.00344  -1.43353
   D101       3.02617  -0.00013  -0.00680  -0.00035  -0.00692   3.01926
   D102      -1.08295  -0.00019  -0.01877  -0.00359  -0.02245  -1.10540
   D103      -1.68169  -0.00018  -0.01377  -0.00329  -0.01688  -1.69857
   D104       1.02245   0.00006  -0.01696  -0.00144  -0.01852   1.00394
   D105       0.42372   0.00008  -0.01196  -0.00114  -0.01295   0.41077
   D106       0.02322   0.00001  -0.00144  -0.00058  -0.00193   0.02130
   D107      -3.10583  -0.00002   0.00120  -0.00118   0.00006  -3.10577
   D108       3.10908   0.00002  -0.00052  -0.00004  -0.00048   3.10860
   D109      -0.01997  -0.00001   0.00212  -0.00064   0.00151  -0.01847
   D110       3.10496   0.00002  -0.00014   0.00131   0.00114   3.10610
   D111      -0.02884   0.00002  -0.00477   0.00246  -0.00232  -0.03116
   D112       0.02185   0.00001  -0.00114   0.00073  -0.00042   0.02143
   D113      -3.11195   0.00001  -0.00576   0.00189  -0.00388  -3.11583
   D114      -0.03176   0.00006   0.00905   0.00005   0.00912  -0.02264
   D115       3.09763   0.00009   0.00650   0.00064   0.00721   3.10484
   D116       0.00377  -0.00001  -0.00091  -0.00042  -0.00133   0.00243
   D117       3.11869   0.00004  -0.00066  -0.00043  -0.00108   3.11761
   D118      -3.12594  -0.00004   0.00158  -0.00099   0.00053  -3.12540
   D119      -0.01102   0.00001   0.00183  -0.00100   0.00079  -0.01023
   D120      -0.00760  -0.00001  -0.00111   0.00019  -0.00091  -0.00851
   D121       3.11603   0.00002  -0.00315   0.00020  -0.00296   3.11307
   D122       3.12634   0.00000   0.00345  -0.00094   0.00250   3.12884
   D123      -0.03322   0.00003   0.00141  -0.00093   0.00045  -0.03277
   D124      -0.00887  -0.00001   0.00229  -0.00121   0.00108  -0.00778
   D125       3.13757  -0.00001   0.00141  -0.00073   0.00068   3.13825
   D126      -3.13233  -0.00003   0.00439  -0.00123   0.00316  -3.12917
   D127       0.01411  -0.00004   0.00351  -0.00075   0.00275   0.01686
   D128       0.01066   0.00002  -0.00126   0.00132   0.00004   0.01071
   D129      -3.10295  -0.00004  -0.00154   0.00132  -0.00024  -3.10319
   D130      -3.13579   0.00002  -0.00037   0.00083   0.00045  -3.13534
   D131       0.03378  -0.00003  -0.00066   0.00084   0.00017   0.03395
   D132       0.68408  -0.00043   0.01138  -0.00879   0.00259   0.68666
   D133      -2.45886  -0.00041   0.01117  -0.00813   0.00305  -2.45581
   D134      -2.45246  -0.00044   0.01045  -0.00829   0.00216  -2.45029
   D135       0.68779  -0.00042   0.01025  -0.00762   0.00263   0.69042
   D136      -3.13049  -0.00003  -0.00005  -0.00038  -0.00042  -3.13091
   D137      -0.03659   0.00004  -0.00200   0.00085  -0.00115  -0.03774
   D138       0.01022  -0.00001  -0.00012  -0.00016  -0.00028   0.00993
   D139       3.10411   0.00005  -0.00208   0.00107  -0.00101   3.10311
   D140      -3.13594   0.00001  -0.00033   0.00005  -0.00028  -3.13622
   D141      -0.04071   0.00007  -0.00370   0.00207  -0.00162  -0.04233
   D142       0.00655  -0.00001  -0.00025  -0.00017  -0.00042   0.00612
   D143       3.10178   0.00006  -0.00362   0.00186  -0.00176   3.10001
   D144      -3.13118  -0.00003   0.00036  -0.00058  -0.00022  -3.13140
   D145      -0.03271  -0.00002   0.00292  -0.00417  -0.00124  -0.03395
   D146       0.01104  -0.00003  -0.00058   0.00012  -0.00047   0.01057
   D147       3.10950  -0.00002   0.00198  -0.00347  -0.00148   3.10802
   D148      -3.13349   0.00001  -0.00052   0.00051  -0.00000  -3.13350
   D149      -0.03722   0.00002   0.00008  -0.00129  -0.00120  -0.03842
   D150       0.00748   0.00000   0.00043  -0.00019   0.00024   0.00772
   D151       3.10375   0.00002   0.00102  -0.00198  -0.00095   3.10280
   D152       3.13156   0.00003   0.00026   0.00074   0.00100   3.13256
   D153       0.03400  -0.00001   0.00027   0.00113   0.00140   0.03540
   D154      -0.00873   0.00001   0.00046   0.00010   0.00055  -0.00818
   D155      -3.10629  -0.00002   0.00047   0.00049   0.00095  -3.10534
   D156       3.13570  -0.00000  -0.00029  -0.00005  -0.00034   3.13536
   D157       0.03490  -0.00003   0.00066   0.00002   0.00068   0.03557
   D158      -0.00719   0.00001  -0.00048   0.00059   0.00010  -0.00709
   D159      -3.10800  -0.00001   0.00046   0.00067   0.00112  -3.10688
   D160      -0.01884   0.00003   0.00057  -0.00020   0.00037  -0.01846
   D161       3.09847   0.00002   0.00159  -0.00180  -0.00022   3.09826
   D162      -3.11743   0.00002  -0.00206   0.00342   0.00137  -3.11606
   D163      -0.00012   0.00001  -0.00104   0.00181   0.00078   0.00066
   D164       0.00797  -0.00000  -0.00040   0.00035  -0.00005   0.00791
   D165      -3.13359  -0.00001  -0.00006  -0.00041  -0.00047  -3.13406
   D166      -3.10955   0.00001  -0.00138   0.00193   0.00055  -3.10900
   D167       0.03208   0.00000  -0.00104   0.00117   0.00014   0.03222
   D168       0.01030  -0.00002   0.00026  -0.00043  -0.00017   0.01013
   D169      -3.10611  -0.00002  -0.00021   0.00014  -0.00007  -3.10618
   D170      -3.13133  -0.00002  -0.00008   0.00033   0.00025  -3.13108
   D171       0.03545  -0.00002  -0.00055   0.00090   0.00035   0.03579
   D172       0.91213   0.00018  -0.00561   0.00456  -0.00105   0.91109
   D173      -2.22579   0.00017  -0.00561   0.00438  -0.00124  -2.22703
   D174      -2.22942   0.00017  -0.00527   0.00379  -0.00147  -2.23089
   D175       0.91584   0.00017  -0.00527   0.00361  -0.00166   0.91418
   D176      -0.01818   0.00002  -0.00030   0.00036   0.00006  -0.01812
   D177      -3.11448   0.00000  -0.00094   0.00218   0.00124  -3.11324
   D178       3.09802   0.00002   0.00021  -0.00023  -0.00002   3.09800
   D179       0.00172   0.00000  -0.00043   0.00159   0.00116   0.00288
   D180      -0.01763   0.00002   0.00035   0.00043   0.00078  -0.01684
   D181       3.09983   0.00001   0.00038  -0.00040  -0.00002   3.09981
   D182      -3.11163  -0.00004   0.00225  -0.00076   0.00149  -3.11014
   D183       0.00582  -0.00005   0.00228  -0.00159   0.00069   0.00651
   D184       0.00811  -0.00001  -0.00024  -0.00035  -0.00058   0.00752
   D185      -3.13276  -0.00001  -0.00015  -0.00048  -0.00064  -3.13340
   D186      -3.10955  -0.00001  -0.00022   0.00046   0.00024  -3.10931
   D187       0.03277  -0.00001  -0.00014   0.00032   0.00018   0.03295
   D188       0.00841  -0.00001  -0.00013   0.00001  -0.00012   0.00830
   D189      -3.10880  -0.00001   0.00042   0.00026   0.00068  -3.10812
   D190      -3.13390  -0.00001  -0.00021   0.00015  -0.00006  -3.13396
   D191       0.03207  -0.00001   0.00033   0.00040   0.00073   0.03280
   D192      -2.21090   0.00012  -0.01442   0.00396  -0.01046  -2.22136
   D193       0.93480   0.00012  -0.01533   0.00411  -0.01122   0.92357
   D194       0.93143   0.00012  -0.01433   0.00381  -0.01051   0.92092
   D195      -2.20607   0.00012  -0.01524   0.00396  -0.01128  -2.21734
   D196      -0.01589   0.00002   0.00037   0.00026   0.00062  -0.01527
   D197      -3.11124  -0.00005   0.00367  -0.00173   0.00194  -3.10930
   D198       3.10111   0.00002  -0.00014  -0.00002  -0.00015   3.10096
   D199       0.00576  -0.00004   0.00316  -0.00200   0.00116   0.00692
   D200       0.01642  -0.00002  -0.00022  -0.00048  -0.00069   0.01573
   D201      -3.10101  -0.00001  -0.00061   0.00064   0.00004  -3.10098
   D202       3.11415   0.00001  -0.00019  -0.00090  -0.00109   3.11306
   D203      -0.00329   0.00002  -0.00058   0.00022  -0.00036  -0.00365
   D204      -0.00806   0.00001   0.00001   0.00017   0.00018  -0.00788
   D205       3.13393   0.00000  -0.00004  -0.00003  -0.00007   3.13386
   D206       3.10958   0.00000   0.00036  -0.00093  -0.00057   3.10901
   D207      -0.03161  -0.00001   0.00031  -0.00113  -0.00082  -0.03243
   D208      -0.00764   0.00001  -0.00005   0.00052   0.00047  -0.00717
   D209       3.11056  -0.00001  -0.00009  -0.00067  -0.00077   3.10980
   D210       3.13355   0.00002   0.00001   0.00071   0.00072   3.13428
   D211      -0.03143   0.00000  -0.00003  -0.00048  -0.00051  -0.03194
   D212       2.21512  -0.00015   0.01152  -0.00481   0.00671   2.22184
   D213      -0.92448  -0.00015   0.01173  -0.00511   0.00663  -0.91785
   D214      -0.92607  -0.00016   0.01146  -0.00500   0.00646  -0.91961
   D215       2.21752  -0.00017   0.01168  -0.00531   0.00637   2.22389
   D216       0.01541  -0.00003   0.00030  -0.00091  -0.00061   0.01480
   D217       3.11629  -0.00000  -0.00060  -0.00101  -0.00161   3.11468
   D218      -3.10259  -0.00000   0.00031   0.00030   0.00061  -3.10198
   D219      -0.00172   0.00002  -0.00060   0.00021  -0.00039  -0.00211
   D220      -3.13894   0.00000  -0.00061   0.00013  -0.00048  -3.13942
   D221       0.03794   0.00001   0.00032   0.00034   0.00066   0.03859
   D222      -0.00085   0.00000   0.00017   0.00000   0.00018  -0.00068
   D223      -3.10716   0.00001   0.00110   0.00021   0.00131  -3.10585
   D224       3.13740  -0.00000   0.00078  -0.00022   0.00056   3.13796
   D225       0.02916   0.00002   0.00123   0.00075   0.00197   0.03114
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   D227      -3.10893   0.00002   0.00045   0.00088   0.00132  -3.10761
   D228      -3.13936   0.00000   0.00007   0.00004   0.00011  -3.13924
   D229       0.04060  -0.00001   0.00015  -0.00019  -0.00005   0.04056
   D230      -0.00089   0.00001   0.00007   0.00020   0.00027  -0.00062
   D231      -3.10412  -0.00001   0.00015  -0.00004   0.00011  -3.10401
   D232       3.13764   0.00000   0.00019  -0.00016   0.00003   3.13767
   D233       0.03414  -0.00002   0.00046  -0.00053  -0.00008   0.03406
   D234      -0.00082  -0.00000   0.00018  -0.00031  -0.00013  -0.00095
   D235      -3.10432  -0.00002   0.00046  -0.00069  -0.00024  -3.10456
   D236      -3.13909  -0.00001  -0.00015  -0.00011  -0.00026  -3.13934
   D237      -0.03313  -0.00001  -0.00051  -0.00053  -0.00104  -0.03417
   D238       0.00080  -0.00000  -0.00033   0.00015  -0.00018   0.00062
   D239       3.10676  -0.00000  -0.00070  -0.00027  -0.00096   3.10580
   D240       3.14071   0.00001  -0.00011   0.00020   0.00009   3.14080
   D241      -0.03644  -0.00000  -0.00059  -0.00022  -0.00081  -0.03725
   D242       0.00082   0.00000   0.00007  -0.00006   0.00002   0.00084
   D243       3.10685  -0.00001  -0.00040  -0.00048  -0.00088   3.10597
   D244       0.00220  -0.00001  -0.00030  -0.00001  -0.00030   0.00190
   D245      -3.12831  -0.00000   0.00149  -0.00049   0.00101  -3.12730
   D246       3.10909   0.00001  -0.00031   0.00017  -0.00014   3.10895
   D247      -0.02142   0.00001   0.00148  -0.00030   0.00117  -0.02025
   D248       3.11930   0.00001  -0.00085   0.00046  -0.00039   3.11891
   D249      -0.01497   0.00003  -0.00180   0.00131  -0.00049  -0.01545
   D250       0.02027  -0.00001  -0.00081   0.00022  -0.00058   0.01969
   D251      -3.11399   0.00001  -0.00175   0.00107  -0.00068  -3.11467
   D252      -0.00266   0.00000   0.00040  -0.00018   0.00022  -0.00244
   D253       3.12576   0.00000  -0.00196   0.00055  -0.00141   3.12434
   D254       3.12565  -0.00000  -0.00173   0.00039  -0.00135   3.12430
   D255      -0.02912  -0.00001  -0.00410   0.00112  -0.00298  -0.03211
   D256       0.00723  -0.00001  -0.00097  -0.00004  -0.00101   0.00622
   D257      -3.14096   0.00000  -0.00084   0.00048  -0.00035  -3.14131
   D258      -3.11974  -0.00001   0.00139  -0.00066   0.00072  -3.11902
   D259       0.01525   0.00001   0.00152  -0.00014   0.00138   0.01663
   D260       0.00216  -0.00000  -0.00036   0.00030  -0.00006   0.00210
   D261       3.10930   0.00001  -0.00054   0.00061   0.00006   3.10936
   D262      -3.12844   0.00000   0.00162  -0.00031   0.00131  -3.12714
   D263      -0.02130   0.00002   0.00144  -0.00001   0.00143  -0.01988
   D264      -3.11983  -0.00001   0.00152  -0.00078   0.00074  -3.11909
   D265       0.01549   0.00001   0.00178  -0.00042   0.00136   0.01685
   D266       0.00727  -0.00001  -0.00109   0.00003  -0.00106   0.00621
   D267      -3.14060   0.00000  -0.00083   0.00039  -0.00044  -3.14104
   D268       3.11946   0.00001  -0.00091   0.00020  -0.00071   3.11876
   D269      -0.01574   0.00002  -0.00187   0.00092  -0.00095  -0.01669
   D270       0.02013  -0.00001  -0.00065  -0.00020  -0.00084   0.01929
   D271      -3.11507   0.00000  -0.00161   0.00052  -0.00108  -3.11615
   D272       0.00202  -0.00000  -0.00027   0.00008  -0.00019   0.00183
   D273      -3.12889  -0.00000   0.00193  -0.00055   0.00138  -3.12751
   D274       3.11165  -0.00001  -0.00104  -0.00013  -0.00118   3.11047
   D275      -0.01925  -0.00000   0.00116  -0.00077   0.00039  -0.01886
   D276       3.12053   0.00000  -0.00151   0.00032  -0.00119   3.11934
   D277      -0.01397   0.00003  -0.00214   0.00112  -0.00102  -0.01499
   D278       0.01810   0.00001  -0.00051   0.00057   0.00006   0.01815
   D279      -3.11640   0.00003  -0.00115   0.00137   0.00022  -3.11618
   D280      -0.00239   0.00000   0.00026  -0.00013   0.00013  -0.00226
   D281       3.12791  -0.00001  -0.00161  -0.00005  -0.00165   3.12625
   D282       3.12636   0.00000  -0.00237   0.00063  -0.00174   3.12462
   D283      -0.02652  -0.00001  -0.00424   0.00071  -0.00353  -0.03005
   D284       0.00660  -0.00001  -0.00089   0.00022  -0.00067   0.00593
   D285      -3.14139   0.00001  -0.00073   0.00062  -0.00011  -3.14151
   D286      -3.12087  -0.00000   0.00201  -0.00061   0.00140  -3.11947
   D287       0.01432   0.00001   0.00217  -0.00022   0.00195   0.01627
   D288       0.00192  -0.00000  -0.00016   0.00014  -0.00002   0.00189
   D289       3.11331  -0.00002  -0.00051  -0.00076  -0.00127   3.11204
   D290      -3.13028   0.00001   0.00140   0.00006   0.00147  -3.12881
   D291      -0.01889  -0.00001   0.00106  -0.00083   0.00023  -0.01866
   D292      -3.12283   0.00001   0.00116   0.00030   0.00146  -3.12137
   D293       0.01336   0.00002   0.00129   0.00032   0.00161   0.01497
   D294       0.00634  -0.00000  -0.00090   0.00039  -0.00051   0.00584
   D295      -3.14065   0.00000  -0.00077   0.00042  -0.00035  -3.14100
   D296       3.12254  -0.00002  -0.00088  -0.00059  -0.00146   3.12108
   D297      -0.01406   0.00002  -0.00129   0.00053  -0.00075  -0.01482
   D298       0.01797   0.00000  -0.00041   0.00050   0.00008   0.01805
   D299      -3.11864   0.00004  -0.00082   0.00162   0.00079  -3.11785
   D300      -0.00206   0.00001   0.00045  -0.00018   0.00027  -0.00179
   D301       3.12897   0.00000  -0.00153   0.00036  -0.00118   3.12779
   D302      -3.11139   0.00001   0.00071   0.00023   0.00094  -3.11045
   D303       0.01964   0.00000  -0.00127   0.00076  -0.00051   0.01913
   D304      -3.12070  -0.00000   0.00086   0.00011   0.00097  -3.11973
   D305       0.01516  -0.00003   0.00160  -0.00106   0.00054   0.01570
   D306      -0.01866  -0.00000   0.00049  -0.00037   0.00013  -0.01853
   D307       3.11720  -0.00003   0.00124  -0.00154  -0.00031   3.11690
   D308       0.00252  -0.00001  -0.00040   0.00014  -0.00026   0.00226
   D309      -3.12668   0.00000   0.00185  -0.00033   0.00153  -3.12515
   D310      -3.12640  -0.00000   0.00197  -0.00050   0.00148  -3.12492
   D311       0.02759   0.00000   0.00422  -0.00096   0.00326   0.03086
   D312      -0.00663   0.00001   0.00105  -0.00039   0.00066  -0.00598
   D313       3.14088  -0.00001   0.00081  -0.00058   0.00024   3.14112
   D314       3.12102   0.00000  -0.00157   0.00031  -0.00126   3.11976
   D315      -0.01466  -0.00001  -0.00180   0.00013  -0.00168  -0.01633
   D316      -0.00207   0.00000   0.00020  -0.00005   0.00015  -0.00192
   D317      -3.11148   0.00001   0.00057   0.00036   0.00093  -3.11055
   D318       3.12919  -0.00000  -0.00168   0.00034  -0.00135   3.12785
   D319       0.01978   0.00000  -0.00131   0.00075  -0.00056   0.01922
   D320       3.12133  -0.00000  -0.00147   0.00018  -0.00129   3.12004
   D321      -0.01425  -0.00001  -0.00167  -0.00002  -0.00169  -0.01594
   D322      -0.00662   0.00000   0.00101  -0.00033   0.00068  -0.00595
   D323       3.14098  -0.00001   0.00081  -0.00054   0.00028   3.14125
   D324      -3.12095   0.00001   0.00107   0.00007   0.00115  -3.11980
   D325       0.01441  -0.00002   0.00177  -0.00090   0.00088   0.01529
   D326      -0.01881   0.00000   0.00058  -0.00042   0.00016  -0.01865
   D327       3.11655  -0.00003   0.00128  -0.00138  -0.00010   3.11645
   D328       0.00697   0.00001   0.00002   0.00015   0.00017   0.00715
   D329      -3.13935  -0.00001  -0.00036   0.00010  -0.00026  -3.13961
   D330      -3.12834  -0.00001  -0.00024  -0.00020  -0.00045  -3.12879
   D331       0.00852  -0.00002  -0.00063  -0.00025  -0.00088   0.00764
   D332      -0.00798  -0.00000   0.00078  -0.00037   0.00041  -0.00756
   D333       3.12965   0.00001  -0.00055   0.00055   0.00000   3.12965
   D334       3.13834   0.00001   0.00117  -0.00032   0.00084   3.13918
   D335      -0.00723   0.00002  -0.00016   0.00060   0.00044  -0.00679
   D336      -0.00556   0.00001  -0.00047   0.00039  -0.00008  -0.00564
   D337       3.12967  -0.00001   0.00049  -0.00033   0.00016   3.12983
   D338       3.13998  -0.00001   0.00085  -0.00053   0.00033   3.14031
   D339      -0.00797  -0.00002   0.00181  -0.00125   0.00057  -0.00740
   D340      -0.00557   0.00001  -0.00035   0.00019  -0.00016  -0.00573
   D341       3.14056  -0.00000   0.00079  -0.00059   0.00020   3.14076
   D342       3.12873  -0.00002   0.00059  -0.00066  -0.00006   3.12867
   D343      -0.00832  -0.00003   0.00174  -0.00144   0.00030  -0.00802
   D344      -0.00812  -0.00001   0.00082  -0.00052   0.00030  -0.00782
   D345       3.13872   0.00001   0.00102  -0.00024   0.00078   3.13950
   D346       3.12891   0.00000  -0.00032   0.00027  -0.00006   3.12885
   D347      -0.00744   0.00002  -0.00013   0.00055   0.00042  -0.00701
   D348       0.00714   0.00001  -0.00014   0.00043   0.00030   0.00744
   D349      -3.12785  -0.00001  -0.00027  -0.00009  -0.00036  -3.12821
   D350      -3.13971  -0.00001  -0.00033   0.00015  -0.00019  -3.13990
   D351       0.00848  -0.00002  -0.00047  -0.00037  -0.00084   0.00765
   D352       0.00625   0.00001   0.00016   0.00034   0.00049   0.00674
   D353      -3.13940  -0.00001  -0.00043   0.00003  -0.00041  -3.13981
   D354      -3.12994   0.00001   0.00003   0.00031   0.00034  -3.12960
   D355       0.00760  -0.00002  -0.00056   0.00001  -0.00056   0.00704
   D356      -0.00702  -0.00001   0.00050  -0.00068  -0.00018  -0.00719
   D357       3.13090  -0.00001  -0.00082   0.00017  -0.00065   3.13025
   D358       3.13862   0.00001   0.00109  -0.00037   0.00072   3.13934
   D359      -0.00664   0.00002  -0.00023   0.00047   0.00024  -0.00640
   D360      -0.00507   0.00001  -0.00038   0.00026  -0.00012  -0.00519
   D361       3.13155  -0.00003   0.00004  -0.00086  -0.00082   3.13073
   D362       3.14018  -0.00000   0.00094  -0.00058   0.00036   3.14053
   D363      -0.00638  -0.00004   0.00135  -0.00170  -0.00035  -0.00673
   D364      -0.00487   0.00000  -0.00039   0.00016  -0.00022  -0.00509
   D365       3.14136  -0.00001   0.00077  -0.00067   0.00011   3.14147
   D366       3.12965  -0.00002   0.00026  -0.00064  -0.00038   3.12927
   D367      -0.00730  -0.00003   0.00142  -0.00147  -0.00005  -0.00735
   D368      -0.00733  -0.00001   0.00062  -0.00069  -0.00007  -0.00740
   D369       3.13913   0.00001   0.00095  -0.00033   0.00062   3.13976
   D370       3.12961  -0.00000  -0.00055   0.00014  -0.00040   3.12921
   D371      -0.00711   0.00002  -0.00021   0.00050   0.00029  -0.00682
   D372       0.00632   0.00002   0.00004   0.00048   0.00052   0.00684
   D373      -3.12886  -0.00000  -0.00012   0.00009  -0.00003  -3.12889
   D374      -3.14015  -0.00001  -0.00030   0.00012  -0.00018  -3.14033
   D375       0.00785  -0.00002  -0.00046  -0.00027  -0.00073   0.00712
   D376      -0.00660  -0.00001  -0.00005  -0.00037  -0.00042  -0.00702
   D377       3.13961   0.00001   0.00035  -0.00003   0.00032   3.13993
   D378       3.12897  -0.00000   0.00015  -0.00017  -0.00002   3.12895
   D379      -0.00800   0.00002   0.00055   0.00017   0.00072  -0.00728
   D380       0.00742   0.00001  -0.00069   0.00071   0.00002   0.00744
   D381      -3.12995   0.00000   0.00059  -0.00019   0.00040  -3.12955
   D382      -3.13878  -0.00001  -0.00109   0.00037  -0.00072  -3.13950
   D383       0.00704  -0.00002   0.00019  -0.00053  -0.00034   0.00669
   D384       0.00527  -0.00001   0.00043  -0.00031   0.00011   0.00539
   D385      -3.13011   0.00002  -0.00027   0.00065   0.00038  -3.12973
   D386      -3.14053   0.00000  -0.00085   0.00059  -0.00026  -3.14079
   D387       0.00727   0.00003  -0.00155   0.00156  -0.00000   0.00727
   D388       0.00526  -0.00001   0.00049  -0.00038   0.00011   0.00537
   D389      -3.14022   0.00000  -0.00086   0.00049  -0.00037  -3.14059
   D390      -3.13062   0.00002  -0.00026   0.00080   0.00054  -3.13009
   D391       0.00708   0.00003  -0.00160   0.00166   0.00006   0.00714
   D392       0.00727   0.00001  -0.00067   0.00073   0.00006   0.00733
   D393      -3.13858  -0.00001  -0.00113   0.00037  -0.00076  -3.13934
   D394      -3.13042   0.00000   0.00068  -0.00014   0.00054  -3.12988
   D395       0.00691  -0.00002   0.00022  -0.00050  -0.00028   0.00663
   D396      -0.00645  -0.00001  -0.00012  -0.00033  -0.00044  -0.00690
   D397       3.12921   0.00000   0.00012  -0.00014  -0.00002   3.12919
   D398       3.13941   0.00001   0.00034   0.00003   0.00038   3.13979
   D399      -0.00811   0.00002   0.00058   0.00022   0.00080  -0.00731
   D400       1.65545   0.00020   0.04369  -0.00088   0.04318   1.69863
   D401      -0.61378   0.00003   0.04356  -0.00169   0.04246  -0.57132
   D402      -2.85175  -0.00009   0.04736  -0.00095   0.04663  -2.80511
   D403      -3.09167   0.00010  -0.00780   0.00219  -0.00609  -3.09776
   D404      -0.92200   0.00005  -0.00685   0.00281  -0.00400  -0.92600
   D405       1.32375   0.00008  -0.01074   0.00105  -0.00925   1.31449
   D406       2.64271   0.00009  -0.03049   0.00093  -0.02884   2.61387
   D407      -1.52327   0.00004  -0.03276  -0.00008  -0.03165  -1.55492
   D408       0.51186   0.00011  -0.02734  -0.00056  -0.02706   0.48480
   D409       2.99054   0.00002  -0.00776   0.00173  -0.00603   2.98451
   D410      -1.18359   0.00005  -0.00816   0.00208  -0.00609  -1.18968
   D411       0.87425   0.00002  -0.00700   0.00141  -0.00559   0.86866
   D412       3.10891  -0.00002  -0.00085  -0.00170  -0.00262   3.10629
   D413      -1.08921  -0.00003  -0.00070  -0.00160  -0.00235  -1.09156
   D414       1.02480  -0.00001  -0.00149  -0.00161  -0.00316   1.02164
   D415       1.05379  -0.00001  -0.00126  -0.00068  -0.00203   1.05176
   D416       3.13886  -0.00001  -0.00110  -0.00058  -0.00176   3.13709
   D417      -1.03032   0.00000  -0.00190  -0.00059  -0.00257  -1.03289
   D418      -1.09012   0.00002  -0.00176   0.00013  -0.00149  -1.09160
   D419       0.99495   0.00001  -0.00160   0.00024  -0.00122   0.99373
   D420       3.10896   0.00003  -0.00239   0.00022  -0.00203   3.10693
   D421       1.37166  -0.00004  -0.03645  -0.00023  -0.03667   1.33499
   D422      -2.85371   0.00003  -0.03654   0.00060  -0.03579  -2.88950
   D423      -0.66650  -0.00007  -0.03969  -0.00006  -0.03979  -0.70629
   D424      -1.43527   0.00006   0.02952   0.00083   0.03071  -1.40456
   D425       2.77472  -0.00004   0.03048  -0.00184   0.02894   2.80365
   D426       0.58768   0.00006   0.03343  -0.00045   0.03306   0.62074
   D427       1.04445   0.00001  -0.00069   0.00080   0.00011   1.04456
   D428       3.13334   0.00002  -0.00055   0.00087   0.00032   3.13366
   D429      -1.06179   0.00002  -0.00061   0.00097   0.00036  -1.06143
   D430      -1.02785  -0.00002  -0.00070   0.00066  -0.00004  -1.02790
   D431       1.06104  -0.00001  -0.00057   0.00073   0.00016   1.06120
   D432      -3.13409  -0.00001  -0.00062   0.00083   0.00020  -3.13389
   D433       3.12428   0.00001  -0.00063   0.00102   0.00039   3.12468
   D434      -1.07001   0.00002  -0.00050   0.00110   0.00060  -1.06941
   D435       1.01805   0.00002  -0.00055   0.00119   0.00064   1.01869
   D436      -1.34901  -0.00002   0.03906   0.00048   0.03952  -1.30949
   D437      -1.27366   0.00007   0.03740   0.00011   0.03767  -1.23598
   D438       0.37768   0.00001   0.01873  -0.00003   0.01830   0.39597
   D439       1.15795   0.00019   0.01541   0.00184   0.01743   1.17538
   D440       0.96162   0.00006   0.01193   0.00078   0.01299   0.97461
   D441      -0.36044  -0.00002  -0.01825   0.00014  -0.01794  -0.37838
         Item               Value     Threshold  Converged?
 Maximum Force            0.001913     0.000450     NO 
 RMS     Force            0.000151     0.000300     YES
 Maximum Displacement     0.222113     0.001800     NO 
 RMS     Displacement     0.044215     0.001200     NO 
 Predicted change in Energy=-8.494007D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.757058    2.868610    0.398631
      2          6           0       -2.015700    1.500174    0.529142
      3          6           0       -0.986505    0.548939    0.541913
      4          6           0        0.348443    0.997685    0.462572
      5          6           0        0.614701    2.363985    0.297733
      6          6           0       -0.418736    3.286169    0.262562
      7          6           0       -1.241163   -0.901992    0.527886
      8          6           0       -0.176526   -1.811175    0.761692
      9          6           0        1.141929   -1.282682    1.178928
     10          6           0        1.460698    0.046301    0.599025
     11          6           0       -2.485113   -1.411082    0.137983
     12          6           0       -2.703504   -2.777125   -0.075127
     13          6           0       -1.609965   -3.646911    0.055149
     14          6           0       -0.372943   -3.167507    0.458707
     15          7           0        2.212046   -2.165007    1.369527
     16          6           0        3.525758   -1.745951    1.014251
     17          6           0        3.702170   -0.454267    0.462988
     18          7           0        2.656772    0.423654    0.278844
     19          6           0        4.653848   -2.576059    1.120878
     20          6           0        5.904212   -2.127622    0.720286
     21          6           0        6.100276   -0.839132    0.184663
     22          6           0        4.978639   -0.025150    0.061473
     23          6           0       -2.864492    3.854162    0.403621
     24          6           0       -4.039800   -3.275989   -0.479595
     25          6           0        7.444638   -0.375035   -0.234436
     26          6           0       -4.179711   -4.256792   -1.475243
     27          6           0       -5.434418   -4.716164   -1.863159
     28          6           0       -6.590048   -4.218979   -1.245541
     29          6           0       -6.464190   -3.249051   -0.242077
     30          6           0       -5.206723   -2.779552    0.124759
     31          6           0       -2.731112    5.086724    1.064826
     32          6           0       -3.770455    6.011544    1.084614
     33          6           0       -4.973612    5.735435    0.421758
     34          6           0       -5.117179    4.514849   -0.251028
     35          6           0       -4.079393    3.587990   -0.249690
     36          6           0        8.339487   -1.239184   -0.886774
     37          6           0        9.597987   -0.804473   -1.291181
     38          6           0       10.005756    0.511337   -1.035350
     39          6           0        9.126782    1.381815   -0.377310
     40          6           0        7.863412    0.943757    0.007552
     41          7           0       -6.031768    6.678990    0.430871
     42          7           0       -7.869402   -4.690895   -1.631374
     43          7           0       11.290472    0.955926   -1.437146
     44          6           0       -8.261440   -6.034324   -1.702758
     45          6           0       -9.612007   -6.097512   -2.130374
     46          6           0      -10.054961   -4.733341   -2.328509
     47          6           0       -8.957634   -3.893416   -2.010563
     48          6           0       -7.355733    6.422401    0.809353
     49          6           0       -8.111180    7.615681    0.680049
     50          6           0       -7.204392    8.637358    0.200128
     51          6           0       -5.932505    8.025962    0.059357
     52          6           0       11.560509    2.096033   -2.205503
     53          6           0       12.961581    2.199936   -2.398380
     54          6           0       13.564794    1.075039   -1.714924
     55          6           0       12.506618    0.329365   -1.135690
     56          6           0      -11.260474   -4.163872   -2.754751
     57          6           0      -11.354910   -2.780014   -2.865152
     58          6           0      -10.252897   -1.962604   -2.561556
     59          6           0       -9.042247   -2.503725   -2.135059
     60          6           0       -7.541897   -7.189677   -1.384374
     61          6           0       -8.188090   -8.415856   -1.523429
     62          6           0       -9.520771   -8.496823   -1.961759
     63          6           0      -10.237746   -7.342625   -2.261836
     64          6           0       -7.361301    9.988858   -0.128860
     65          6           0       -6.263333   10.705000   -0.595559
     66          6           0       -5.013343   10.079982   -0.743566
     67          6           0       -4.829906    8.736873   -0.423153
     68          6           0       -7.930676    5.242640    1.290635
     69          6           0       -9.283524    5.267895    1.621381
     70          6           0      -10.050057    6.437838    1.484574
     71          6           0       -9.469247    7.613541    1.019166
     72          6           0       14.886982    0.652093   -1.535510
     73          6           0       15.136957   -0.491769   -0.783576
     74          6           0       14.077913   -1.210501   -0.203306
     75          6           0       12.753318   -0.811524   -0.366594
     76          6           0       10.674993    3.016110   -2.774088
     77          6           0       11.215094    4.059048   -3.522980
     78          6           0       12.602090    4.185304   -3.710809
     79          6           0       13.478246    3.257995   -3.155312
     80          8           0        0.671355   -3.638591    3.128718
     81         15           0        2.021648   -3.469370    2.566145
     82          8           0        3.213914   -3.248951    3.605394
     83          8           0        2.577709   -4.686636    1.668551
     84          6           0        3.010686   -2.536749    4.872583
     85          6           0        3.981205   -3.114956    5.881699
     86          6           0        2.559226   -6.027147    2.244436
     87          6           0        2.912896   -7.008654    1.145528
     88          1           0       -3.042612    1.180200    0.667291
     89          1           0        1.647508    2.681292    0.214519
     90          1           0       -0.196055    4.339334    0.122308
     91          1           0       -3.294844   -0.724699   -0.080558
     92          1           0       -1.733316   -4.706594   -0.143544
     93          1           0        0.455172   -3.860306    0.508748
     94          1           0        4.563400   -3.576905    1.512600
     95          1           0        6.755693   -2.789628    0.843732
     96          1           0        5.043223    0.966067   -0.374277
     97          1           0       -3.296966   -4.635735   -1.981432
     98          1           0       -5.526890   -5.444674   -2.661632
     99          1           0       -7.352288   -2.884257    0.262926
    100          1           0       -5.124235   -2.047473    0.922346
    101          1           0       -1.817168    5.305066    1.608582
    102          1           0       -3.663704    6.941674    1.632720
    103          1           0       -6.034299    4.307976   -0.792427
    104          1           0       -4.197273    2.660397   -0.801735
    105          1           0        8.031139   -2.254463   -1.117733
    106          1           0       10.261587   -1.474774   -1.827161
    107          1           0        9.447013    2.393014   -0.149564
    108          1           0        7.204923    1.624180    0.538838
    109          1           0      -12.109097   -4.795590   -3.001008
    110          1           0      -12.285054   -2.326230   -3.192890
    111          1           0      -10.342547   -0.885226   -2.664513
    112          1           0       -8.194704   -1.864812   -1.913756
    113          1           0       -6.517171   -7.137553   -1.034008
    114          1           0       -7.648649   -9.327143   -1.282645
    115          1           0       -9.994603   -9.468479   -2.061321
    116          1           0      -11.271714   -7.405473   -2.588696
    117          1           0       -8.329587   10.470164   -0.025405
    118          1           0       -6.372086   11.754187   -0.852396
    119          1           0       -4.170806   10.652986   -1.119359
    120          1           0       -3.863959    8.261110   -0.550291
    121          1           0       -7.344899    4.338132    1.410356
    122          1           0       -9.752227    4.363208    1.997269
    123          1           0      -11.102717    6.423323    1.749666
    124          1           0      -10.059967    8.520246    0.924992
    125          1           0       15.707100    1.213514   -1.973816
    126          1           0       16.158094   -0.830655   -0.638646
    127          1           0       14.293908   -2.094443    0.389531
    128          1           0       11.943971   -1.366639    0.094270
    129          1           0        9.602757    2.921653   -2.643995
    130          1           0       10.546614    4.786670   -3.973624
    131          1           0       12.990719    5.011256   -4.298443
    132          1           0       14.549368    3.350012   -3.310691
    133          1           0        3.191267   -1.477775    4.678710
    134          1           0        1.969368   -2.658906    5.176358
    135          1           0        3.880153   -2.579350    6.831000
    136          1           0        3.777275   -4.174371    6.062186
    137          1           0        5.014388   -3.011326    5.538162
    138          1           0        3.286642   -6.059278    3.062259
    139          1           0        1.561926   -6.216515    2.652006
    140          1           0        3.904412   -6.797704    0.735551
    141          1           0        2.915564   -8.026200    1.548475
    142          1           0        2.184063   -6.961554    0.331916
    143         17           0        0.801026   -0.394732    3.261263
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0182926           0.0073707           0.0057274
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13523.7755122140 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.63D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    0.999998    0.000555    0.000157   -0.001638 Ang=   0.20 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.67982628     A.U. after   12 cycles
            NFock= 12  Conv=0.27D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000316130    0.000499670   -0.000085772
      2        6          -0.000260234   -0.000451370    0.000251663
      3        6          -0.000139184    0.000357859    0.000055355
      4        6          -0.000022014    0.000173899   -0.000023009
      5        6           0.000038067   -0.000056036    0.000093870
      6        6          -0.000132626   -0.000235549    0.000018989
      7        6           0.000351352   -0.000034851   -0.000195632
      8        6          -0.000111804   -0.001376666   -0.000371345
      9        6          -0.002407568    0.001291036    0.001545953
     10        6           0.000557734    0.001537771   -0.000869280
     11        6          -0.000402518   -0.000133534    0.000096287
     12        6          -0.000287121   -0.000607544   -0.000170561
     13        6           0.000140924    0.000411508   -0.000328874
     14        6          -0.000235943   -0.000072572    0.000338302
     15        7           0.002083871   -0.001595602    0.000751613
     16        6           0.000558903    0.000142228   -0.000539151
     17        6           0.001202833   -0.000368073   -0.000038851
     18        7          -0.001404702   -0.000139183   -0.000104461
     19        6          -0.000194449   -0.000037391    0.000281628
     20        6          -0.000121021    0.000118437   -0.000246193
     21        6           0.000427778   -0.000060093    0.000077963
     22        6          -0.000462370    0.000116406    0.000256504
     23        6           0.000093699    0.000003223    0.000097090
     24        6           0.000446234    0.000404937    0.000193537
     25        6          -0.000182975   -0.000140790   -0.000014639
     26        6           0.000019687   -0.000432196    0.000161070
     27        6          -0.000102374    0.000014712   -0.000192302
     28        6           0.000453440    0.000306007    0.000162781
     29        6          -0.000077944   -0.000121478    0.000167419
     30        6          -0.000167295    0.000147842   -0.000311386
     31        6          -0.000149888    0.000047480   -0.000029350
     32        6          -0.000130354    0.000031915    0.000150388
     33        6           0.000530859   -0.000244046    0.000022977
     34        6          -0.000113964    0.000076118   -0.000183596
     35        6          -0.000117762    0.000078045   -0.000040385
     36        6           0.000150146   -0.000005387    0.000205218
     37        6           0.000087280    0.000080246   -0.000195391
     38        6          -0.000498547   -0.000375961    0.000145690
     39        6           0.000138489    0.000106706    0.000148150
     40        6          -0.000016423    0.000043514   -0.000212193
     41        7           0.000222582   -0.000088358   -0.000068724
     42        7           0.000040549    0.000057293    0.000026288
     43        7          -0.000059301   -0.000030005   -0.000002289
     44        6          -0.000195196   -0.000415530    0.000135530
     45        6          -0.000023201   -0.000064287    0.000093864
     46        6          -0.000024625    0.000027590   -0.000119595
     47        6          -0.000295408    0.000030349   -0.000357162
     48        6          -0.000491793   -0.000061038    0.000220235
     49        6          -0.000017016   -0.000044088    0.000105190
     50        6           0.000007974    0.000058956   -0.000086080
     51        6          -0.000255078    0.000390296   -0.000154010
     52        6           0.000146812    0.000259646   -0.000350085
     53        6          -0.000003121   -0.000000121   -0.000120098
     54        6           0.000040878    0.000023634    0.000105279
     55        6           0.000401788    0.000131536    0.000194883
     56        6           0.000097895    0.000073238    0.000063750
     57        6           0.000047924    0.000092738    0.000073775
     58        6          -0.000201347   -0.000200382   -0.000167173
     59        6           0.000175809    0.000073560    0.000181924
     60        6           0.000188243    0.000197874   -0.000026556
     61        6          -0.000293406   -0.000155274   -0.000041538
     62        6           0.000118236    0.000035043    0.000000625
     63        6           0.000108505    0.000063208    0.000030169
     64        6           0.000111862   -0.000076562    0.000011229
     65        6           0.000130470    0.000006146    0.000004609
     66        6          -0.000337511    0.000080565   -0.000058498
     67        6           0.000187761   -0.000124332    0.000069780
     68        6           0.000225353   -0.000054010   -0.000097234
     69        6          -0.000276395    0.000194156    0.000058112
     70        6           0.000074062   -0.000100773   -0.000024600
     71        6           0.000116953   -0.000042861   -0.000017771
     72        6          -0.000098951   -0.000084515    0.000017337
     73        6          -0.000054013   -0.000102162    0.000013210
     74        6           0.000212711    0.000257227   -0.000034474
     75        6          -0.000196546   -0.000146538   -0.000037841
     76        6          -0.000154286   -0.000127709    0.000155673
     77        6           0.000291742    0.000122372   -0.000119682
     78        6          -0.000113850   -0.000014643    0.000039343
     79        6          -0.000102490   -0.000066274    0.000045400
     80        8           0.000084815   -0.000077779   -0.000072477
     81       15          -0.000544709    0.000356495   -0.000889096
     82        8           0.000270690   -0.000164756    0.000614962
     83        8           0.000067692    0.000106773   -0.000070693
     84        6           0.000046904    0.000180873    0.000004596
     85        6           0.000109850   -0.000001046   -0.000063803
     86        6           0.000020163    0.000040940   -0.000179357
     87        6           0.000043029    0.000017946   -0.000077798
     88        1           0.000298260    0.000044311   -0.000273527
     89        1           0.000061716   -0.000060122    0.000077003
     90        1          -0.000040279   -0.000093805    0.000172248
     91        1           0.000200698    0.000097145    0.000141211
     92        1          -0.000041613    0.000072492    0.000033953
     93        1           0.000057559    0.000045580    0.000014219
     94        1          -0.000012914   -0.000086901   -0.000034663
     95        1          -0.000072554   -0.000023165   -0.000133477
     96        1          -0.000008030   -0.000060171    0.000107176
     97        1          -0.000059874    0.000017414    0.000103265
     98        1          -0.000075241    0.000005544    0.000065723
     99        1           0.000024968   -0.000037375   -0.000098425
    100        1           0.000021096    0.000059533   -0.000103182
    101        1          -0.000004210    0.000029263   -0.000174543
    102        1          -0.000066537   -0.000077365   -0.000039646
    103        1           0.000014112    0.000102886    0.000050594
    104        1          -0.000063413   -0.000004825    0.000211796
    105        1           0.000024418    0.000061770    0.000100782
    106        1          -0.000025105    0.000097038    0.000021338
    107        1           0.000063657   -0.000064547   -0.000044843
    108        1          -0.000010350   -0.000029124   -0.000107703
    109        1           0.000028871   -0.000036062    0.000014683
    110        1           0.000024907    0.000025061   -0.000005933
    111        1           0.000005502    0.000007253    0.000045163
    112        1           0.000026431   -0.000074381   -0.000063557
    113        1          -0.000079752    0.000032534    0.000033111
    114        1           0.000030947    0.000020817   -0.000025942
    115        1           0.000024251    0.000010209    0.000026523
    116        1          -0.000018692    0.000045130   -0.000012795
    117        1          -0.000014369   -0.000050481    0.000022801
    118        1           0.000030934   -0.000009453   -0.000008416
    119        1           0.000034422   -0.000006650    0.000038878
    120        1          -0.000070276   -0.000046679   -0.000053364
    121        1          -0.000017897    0.000077018    0.000060489
    122        1           0.000026366   -0.000019102   -0.000038468
    123        1           0.000028097   -0.000018550    0.000010953
    124        1           0.000028072    0.000041590   -0.000023863
    125        1          -0.000036175    0.000026496   -0.000030197
    126        1          -0.000021973   -0.000017553    0.000019732
    127        1          -0.000021663   -0.000035777   -0.000027449
    128        1          -0.000009871    0.000093688    0.000019963
    129        1           0.000070218   -0.000049457   -0.000042703
    130        1          -0.000027526    0.000001072    0.000043043
    131        1          -0.000029176   -0.000017768   -0.000005952
    132        1           0.000025107   -0.000034857    0.000033341
    133        1          -0.000132613   -0.000108545    0.000171150
    134        1           0.000100821    0.000074858   -0.000022743
    135        1          -0.000082229    0.000030429   -0.000068815
    136        1           0.000023977   -0.000000542    0.000015215
    137        1           0.000001979   -0.000009064    0.000009299
    138        1          -0.000077572   -0.000047391    0.000057492
    139        1           0.000002170    0.000009332    0.000059702
    140        1          -0.000025672    0.000006409    0.000019020
    141        1          -0.000018666    0.000002327    0.000025643
    142        1           0.000001974    0.000031106    0.000029161
    143       17           0.000171362   -0.000185242   -0.000513667
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002407568 RMS     0.000297883

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001950739 RMS     0.000145902
 Search for a local minimum.
 Step number  17 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   16   17
 DE= -2.12D-04 DEPred=-8.49D-05 R= 2.50D+00
 TightC=F SS=  1.41D+00  RLast= 2.74D-01 DXNew= 4.0363D+00 8.2183D-01
 Trust test= 2.50D+00 RLast= 2.74D-01 DXMaxT set to 2.40D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00109   0.00417   0.00421   0.00832   0.01368
     Eigenvalues ---    0.01425   0.01610   0.01761   0.02278   0.02552
     Eigenvalues ---    0.02601   0.02607   0.02670   0.02702   0.02708
     Eigenvalues ---    0.02713   0.02714   0.02719   0.02725   0.02727
     Eigenvalues ---    0.02728   0.02735   0.02739   0.02750   0.02758
     Eigenvalues ---    0.02769   0.02770   0.02774   0.02774   0.02777
     Eigenvalues ---    0.02781   0.02785   0.02786   0.02787   0.02788
     Eigenvalues ---    0.02789   0.02791   0.02791   0.02792   0.02792
     Eigenvalues ---    0.02793   0.02794   0.02796   0.02800   0.02802
     Eigenvalues ---    0.02802   0.02803   0.02803   0.02805   0.02807
     Eigenvalues ---    0.02807   0.02808   0.02808   0.02808   0.02811
     Eigenvalues ---    0.02812   0.02812   0.02817   0.02817   0.02818
     Eigenvalues ---    0.02818   0.02818   0.02819   0.02819   0.02824
     Eigenvalues ---    0.02827   0.02834   0.02842   0.02844   0.02845
     Eigenvalues ---    0.02845   0.02846   0.02847   0.02848   0.02852
     Eigenvalues ---    0.02853   0.02861   0.02867   0.02868   0.02868
     Eigenvalues ---    0.02869   0.02872   0.02873   0.02876   0.02876
     Eigenvalues ---    0.02877   0.02878   0.02878   0.02879   0.02879
     Eigenvalues ---    0.02883   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02886   0.02886   0.02887   0.02889
     Eigenvalues ---    0.02892   0.02894   0.02896   0.02897   0.02898
     Eigenvalues ---    0.02899   0.02899   0.02900   0.02902   0.02909
     Eigenvalues ---    0.02910   0.02921   0.02941   0.02942   0.02943
     Eigenvalues ---    0.02960   0.03022   0.03024   0.03025   0.03036
     Eigenvalues ---    0.03133   0.03133   0.03133   0.03135   0.03148
     Eigenvalues ---    0.03161   0.03162   0.03332   0.03560   0.03657
     Eigenvalues ---    0.04210   0.04537   0.04860   0.05377   0.05524
     Eigenvalues ---    0.05539   0.05573   0.05618   0.05728   0.05750
     Eigenvalues ---    0.07305   0.08952   0.09338   0.10494   0.11429
     Eigenvalues ---    0.11450   0.11893   0.12857   0.13662   0.15211
     Eigenvalues ---    0.15632   0.15757   0.15946   0.15975   0.15985
     Eigenvalues ---    0.15985   0.15986   0.15988   0.15991   0.15993
     Eigenvalues ---    0.15994   0.15996   0.15996   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15998   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16001
     Eigenvalues ---    0.16009   0.16011   0.16025   0.16044   0.16115
     Eigenvalues ---    0.16286   0.17092   0.17709   0.18786   0.20463
     Eigenvalues ---    0.20900   0.21997   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22000   0.22001   0.22002
     Eigenvalues ---    0.22016   0.22416   0.22443   0.22512   0.22600
     Eigenvalues ---    0.22600   0.22602   0.22602   0.22602   0.22698
     Eigenvalues ---    0.22963   0.22967   0.23000   0.23209   0.23450
     Eigenvalues ---    0.23501   0.23575   0.23778   0.23999   0.24009
     Eigenvalues ---    0.24181   0.24483   0.24484   0.24485   0.24495
     Eigenvalues ---    0.24529   0.24530   0.24748   0.24921   0.24980
     Eigenvalues ---    0.24981   0.24981   0.24982   0.24982   0.24984
     Eigenvalues ---    0.24996   0.24997   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25001   0.25008   0.25011
     Eigenvalues ---    0.25058   0.25294   0.25414   0.26391   0.27903
     Eigenvalues ---    0.28505   0.29060   0.29763   0.29788   0.30482
     Eigenvalues ---    0.32015   0.32098   0.32128   0.32141   0.32147
     Eigenvalues ---    0.32150   0.32177   0.32217   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33293   0.33317
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33459   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33584   0.33586   0.33595   0.33632   0.33636
     Eigenvalues ---    0.33639   0.33642   0.33647   0.33663   0.33699
     Eigenvalues ---    0.33723   0.33742   0.33820   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33897   0.33920   0.33941
     Eigenvalues ---    0.33947   0.33954   0.33959   0.34363   0.34453
     Eigenvalues ---    0.34823   0.34920   0.35059   0.37936   0.41635
     Eigenvalues ---    0.42158   0.42963   0.44429   0.44436   0.44440
     Eigenvalues ---    0.44491   0.45771   0.47253   0.48771   0.48900
     Eigenvalues ---    0.48971   0.48981   0.49273   0.49510   0.49801
     Eigenvalues ---    0.49818   0.49851   0.49888   0.49936   0.49978
     Eigenvalues ---    0.50075   0.50171   0.50311   0.50404   0.50408
     Eigenvalues ---    0.50608   0.50610   0.50615   0.51264   0.51475
     Eigenvalues ---    0.52136   0.52483   0.52644   0.52846   0.53380
     Eigenvalues ---    0.54091   0.54112   0.54200   0.54202   0.54207
     Eigenvalues ---    0.54344   0.54493   0.55011   0.55136   0.55290
     Eigenvalues ---    0.55321   0.55345   0.55360   0.55388   0.55412
     Eigenvalues ---    0.55492   0.55497   0.55517   0.55593   0.55653
     Eigenvalues ---    0.55704   0.55706   0.55761   0.55939   0.55945
     Eigenvalues ---    0.55964   0.56147   0.56152   0.56153   0.56243
     Eigenvalues ---    0.56270   0.56308   0.56371   0.56662   0.56664
     Eigenvalues ---    0.56665   0.56670   0.56672   0.56682   0.56864
     Eigenvalues ---    0.56902   0.56915   0.56962   0.57140   0.57174
     Eigenvalues ---    0.57179   0.57190   0.57195   0.57210   0.57627
     Eigenvalues ---    0.61863   0.62610   0.66056   0.66057   0.67645
     Eigenvalues ---    0.67657   0.67661   0.69231   0.70038   0.70087
     Eigenvalues ---    0.73209   0.75900   0.80029
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    17   16   15   14   13   12   11   10    9
 RFO step:  Lambda=-4.89549446D-04.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 RFO-DIIS uses    7 points instead of    9
 DidBck=F Rises=F RFO-DIIS coefs:    3.00000   -1.85978   -1.83983    1.36427    0.79886
                  RFO-DIIS coefs:   -0.57676    0.11323    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.15347055 RMS(Int)=  0.00339783
 Iteration  2 RMS(Cart)=  0.00810901 RMS(Int)=  0.00012389
 Iteration  3 RMS(Cart)=  0.00004333 RMS(Int)=  0.00012211
 Iteration  4 RMS(Cart)=  0.00000003 RMS(Int)=  0.00012211
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64328   0.00040   0.00216   0.00110   0.00328   2.64657
    R2        2.66175  -0.00023  -0.00064  -0.00004  -0.00064   2.66111
    R3        2.80148   0.00030  -0.00152   0.00024  -0.00128   2.80020
    R4        2.64848   0.00001  -0.00099  -0.00114  -0.00216   2.64633
    R5        2.04930  -0.00029  -0.00092   0.00068  -0.00024   2.04906
    R6        2.66562   0.00009   0.00010   0.00005  -0.00019   2.66543
    R7        2.78390   0.00050   0.00278   0.00169   0.00431   2.78821
    R8        2.64888  -0.00021  -0.00143  -0.00015  -0.00160   2.64728
    R9        2.77787  -0.00007   0.00015   0.00186   0.00188   2.77975
   R10        2.61825   0.00003   0.00090   0.00056   0.00149   2.61974
   R11        2.04780   0.00002   0.00002   0.00035   0.00037   2.04817
   R12        2.05139  -0.00010  -0.00026  -0.00006  -0.00033   2.05106
   R13        2.68230   0.00007  -0.00140  -0.00206  -0.00331   2.67899
   R14        2.64468   0.00021   0.00031  -0.00053  -0.00024   2.64443
   R15        2.79763   0.00076   0.01568   0.01550   0.03148   2.82912
   R16        2.65237  -0.00028  -0.00343  -0.00280  -0.00621   2.64616
   R17        2.80553   0.00093   0.01525   0.01357   0.02925   2.83477
   R18        2.64560   0.00195   0.01705   0.01527   0.03221   2.67781
   R19        4.32611  -0.00068  -0.14935  -0.15752  -0.30722   4.01889
   R20        2.44609  -0.00058  -0.00586  -0.00427  -0.01005   2.43603
   R21        2.64506   0.00019   0.00106   0.00054   0.00158   2.64664
   R22        2.04802  -0.00017  -0.00067   0.00062  -0.00006   2.04796
   R23        2.65190  -0.00003  -0.00139  -0.00115  -0.00254   2.64936
   R24        2.80174  -0.00034   0.00030   0.00018   0.00048   2.80221
   R25        2.62047  -0.00009   0.00120   0.00241   0.00362   2.62409
   R26        2.05070  -0.00008  -0.00063   0.00047  -0.00016   2.05053
   R27        2.04252   0.00004  -0.00097  -0.00002  -0.00098   2.04154
   R28        2.69090   0.00035   0.00521   0.00235   0.00749   2.69838
   R29        3.36430  -0.00078  -0.01038  -0.01131  -0.02168   3.34262
   R30        5.57502   0.00029  -0.07988  -0.09263  -0.17217   5.40284
   R31        2.67479   0.00004  -0.00251  -0.00150  -0.00432   2.67047
   R32        2.65440  -0.00022  -0.00144  -0.00092  -0.00236   2.65204
   R33        2.60310   0.00121   0.00678   0.00489   0.01146   2.61456
   R34        2.65554  -0.00025  -0.00289  -0.00168  -0.00459   2.65095
   R35        2.62187   0.00008   0.00159   0.00119   0.00279   2.62466
   R36        2.03821   0.00007  -0.00079   0.00066  -0.00013   2.03807
   R37        2.66280  -0.00007  -0.00198  -0.00160  -0.00355   2.65924
   R38        2.05147  -0.00007  -0.00030   0.00012  -0.00018   2.05129
   R39        2.62924   0.00026   0.00200   0.00165   0.00365   2.63289
   R40        2.80186  -0.00002  -0.00063   0.00013  -0.00050   2.80136
   R41        2.04977  -0.00009  -0.00030   0.00001  -0.00029   2.04949
   R42        2.65518   0.00008   0.00067   0.00008   0.00076   2.65593
   R43        2.65481   0.00012   0.00065   0.00033   0.00098   2.65579
   R44        2.65428   0.00013   0.00050  -0.00009   0.00041   2.65469
   R45        2.65465   0.00004   0.00006   0.00037   0.00042   2.65507
   R46        2.65441   0.00006   0.00035   0.00011   0.00046   2.65487
   R47        2.65447   0.00001   0.00015   0.00044   0.00059   2.65507
   R48        2.62923  -0.00001   0.00006   0.00007   0.00013   2.62935
   R49        2.05195  -0.00010  -0.00055   0.00023  -0.00032   2.05164
   R50        2.64840  -0.00017  -0.00086  -0.00006  -0.00092   2.64748
   R51        2.05001  -0.00006  -0.00030   0.00026  -0.00003   2.04998
   R52        2.64801  -0.00012  -0.00050  -0.00005  -0.00056   2.64745
   R53        2.67803   0.00028   0.00017   0.00056   0.00073   2.67876
   R54        2.62952  -0.00001  -0.00018   0.00014  -0.00004   2.62948
   R55        2.05000  -0.00007  -0.00024   0.00017  -0.00007   2.04993
   R56        2.05180  -0.00005  -0.00022  -0.00002  -0.00024   2.05156
   R57        2.62931   0.00002  -0.00011  -0.00018  -0.00029   2.62902
   R58        2.05158  -0.00009  -0.00012  -0.00012  -0.00024   2.05135
   R59        2.64778  -0.00018  -0.00001  -0.00010  -0.00011   2.64767
   R60        2.05012  -0.00007  -0.00036   0.00015  -0.00021   2.04991
   R61        2.64770  -0.00020  -0.00027   0.00031   0.00004   2.64773
   R62        2.67920   0.00028  -0.00100  -0.00018  -0.00117   2.67803
   R63        2.62942  -0.00000  -0.00051  -0.00003  -0.00054   2.62887
   R64        2.05017  -0.00008  -0.00044   0.00016  -0.00028   2.04989
   R65        2.05197  -0.00012  -0.00032  -0.00009  -0.00041   2.05156
   R66        2.62960   0.00004   0.00013  -0.00003   0.00011   2.62971
   R67        2.05208  -0.00009  -0.00033   0.00002  -0.00031   2.05177
   R68        2.64770  -0.00018  -0.00041  -0.00012  -0.00053   2.64717
   R69        2.05011  -0.00007  -0.00032   0.00024  -0.00008   2.05003
   R70        2.64787  -0.00017  -0.00028  -0.00004  -0.00032   2.64755
   R71        2.67888   0.00033  -0.00017   0.00039   0.00022   2.67910
   R72        2.62945   0.00000  -0.00028   0.00006  -0.00022   2.62923
   R73        2.05010  -0.00007  -0.00034   0.00025  -0.00009   2.05001
   R74        2.05176  -0.00006  -0.00020  -0.00004  -0.00025   2.05152
   R75        2.64695   0.00032   0.00055   0.00053   0.00108   2.64802
   R76        2.64711   0.00028   0.00051   0.00033   0.00084   2.64795
   R77        2.64804   0.00017  -0.00058  -0.00016  -0.00074   2.64730
   R78        2.64832   0.00017  -0.00067   0.00001  -0.00065   2.64766
   R79        2.64773   0.00020   0.00002  -0.00006  -0.00004   2.64769
   R80        2.64728   0.00022  -0.00007   0.00005  -0.00002   2.64726
   R81        2.67973  -0.00009   0.00017  -0.00006   0.00011   2.67985
   R82        2.64153  -0.00011  -0.00006  -0.00009  -0.00015   2.64138
   R83        2.73614   0.00004   0.00020   0.00005   0.00025   2.73639
   R84        2.64503  -0.00011  -0.00030   0.00011  -0.00019   2.64485
   R85        2.67961  -0.00007   0.00008   0.00012   0.00019   2.67980
   R86        2.64510  -0.00012  -0.00028   0.00011  -0.00017   2.64494
   R87        2.64149  -0.00010  -0.00022   0.00011  -0.00012   2.64138
   R88        2.68004  -0.00010  -0.00021  -0.00007  -0.00029   2.67976
   R89        2.64158  -0.00009   0.00004   0.00001   0.00005   2.64163
   R90        2.73613   0.00002  -0.00003   0.00009   0.00006   2.73619
   R91        2.64518  -0.00012  -0.00039   0.00005  -0.00033   2.64484
   R92        2.68003  -0.00009  -0.00006  -0.00020  -0.00026   2.67977
   R93        2.64522  -0.00014  -0.00049   0.00006  -0.00043   2.64479
   R94        2.64152  -0.00009   0.00005  -0.00006  -0.00000   2.64152
   R95        2.67982  -0.00008   0.00006  -0.00006  -0.00000   2.67981
   R96        2.64154  -0.00009   0.00005  -0.00005  -0.00000   2.64154
   R97        2.73611   0.00002  -0.00003   0.00006   0.00003   2.73614
   R98        2.64520  -0.00012  -0.00039   0.00009  -0.00030   2.64489
   R99        2.68000  -0.00008  -0.00000   0.00002   0.00002   2.68002
   R100       2.64511  -0.00012  -0.00039   0.00010  -0.00029   2.64482
   R101       2.64156  -0.00009   0.00004  -0.00001   0.00002   2.64159
   R102       2.62948  -0.00000  -0.00016   0.00004  -0.00011   2.62938
   R103       2.05266   0.00001   0.00002   0.00003   0.00004   2.05270
   R104       2.65556  -0.00017   0.00003  -0.00003  -0.00000   2.65556
   R105       2.05146  -0.00002  -0.00018   0.00010  -0.00008   2.05138
   R106       2.63235   0.00011   0.00005   0.00004   0.00009   2.63243
   R107       2.05223   0.00000  -0.00005   0.00007   0.00002   2.05225
   R108       2.04886  -0.00006  -0.00017   0.00009  -0.00008   2.04878
   R109       2.63237   0.00010   0.00002   0.00005   0.00007   2.63243
   R110       2.04888  -0.00005  -0.00024   0.00022  -0.00002   2.04886
   R111       2.65554  -0.00016   0.00002   0.00002   0.00004   2.65558
   R112       2.05226   0.00000  -0.00005   0.00006   0.00002   2.05228
   R113       2.62956  -0.00000  -0.00022   0.00009  -0.00013   2.62943
   R114       2.05150  -0.00002  -0.00017   0.00009  -0.00009   2.05141
   R115       2.05266   0.00001   0.00000   0.00004   0.00005   2.05271
   R116       2.62951  -0.00000  -0.00023   0.00012  -0.00011   2.62940
   R117       2.05271   0.00001  -0.00001   0.00003   0.00001   2.05272
   R118       2.65574  -0.00018  -0.00016  -0.00006  -0.00023   2.65551
   R119       2.05154  -0.00002  -0.00019   0.00007  -0.00012   2.05142
   R120       2.63226   0.00010   0.00006   0.00010   0.00015   2.63241
   R121       2.05227   0.00000  -0.00006   0.00006   0.00000   2.05227
   R122       2.04891  -0.00006  -0.00031   0.00015  -0.00016   2.04875
   R123       2.63224   0.00011   0.00006   0.00010   0.00016   2.63240
   R124       2.04894  -0.00006  -0.00029   0.00006  -0.00023   2.04871
   R125       2.65576  -0.00018  -0.00017  -0.00007  -0.00023   2.65553
   R126       2.05228   0.00000  -0.00009   0.00007  -0.00002   2.05226
   R127       2.62952  -0.00001  -0.00023   0.00006  -0.00017   2.62935
   R128       2.05153  -0.00002  -0.00019   0.00007  -0.00012   2.05141
   R129       2.05271   0.00001  -0.00002   0.00003   0.00001   2.05272
   R130       2.62958  -0.00001  -0.00029   0.00011  -0.00018   2.62940
   R131       2.05268   0.00001   0.00001   0.00004   0.00005   2.05273
   R132       2.65563  -0.00017  -0.00007   0.00002  -0.00005   2.65557
   R133       2.05152  -0.00002  -0.00018   0.00009  -0.00009   2.05143
   R134       2.63235   0.00010  -0.00000   0.00006   0.00006   2.63241
   R135       2.05230   0.00000  -0.00005   0.00008   0.00003   2.05233
   R136       2.04893  -0.00006  -0.00032   0.00015  -0.00016   2.04877
   R137       2.63226   0.00010   0.00001   0.00007   0.00007   2.63234
   R138       2.04888  -0.00005  -0.00032   0.00023  -0.00009   2.04879
   R139       2.65571  -0.00017  -0.00007   0.00002  -0.00005   2.65566
   R140       2.05223   0.00000  -0.00005   0.00008   0.00003   2.05226
   R141       2.62946  -0.00000  -0.00028   0.00015  -0.00013   2.62932
   R142       2.05150  -0.00002  -0.00017   0.00008  -0.00009   2.05141
   R143       2.05269   0.00001  -0.00000   0.00004   0.00004   2.05273
   R144       2.78272  -0.00007   0.00037   0.00157   0.00194   2.78466
   R145       3.01772   0.00052   0.00354   0.00428   0.00783   3.02555
   R146       3.04511  -0.00001   0.00102  -0.00003   0.00100   3.04610
   R147       2.77365  -0.00001  -0.00441  -0.00253  -0.00687   2.76679
   R148       2.75729  -0.00009  -0.00070  -0.00090  -0.00160   2.75569
   R149       2.86251  -0.00004   0.00096   0.00056   0.00153   2.86404
   R150       2.06285  -0.00006   0.00079   0.00044   0.00114   2.06399
   R151       2.06278  -0.00011  -0.00006   0.00077   0.00068   2.06347
   R152       2.06859  -0.00003   0.00008  -0.00003   0.00005   2.06864
   R153       2.06709   0.00000  -0.00007   0.00005  -0.00002   2.06707
   R154       2.06683  -0.00000  -0.00025   0.00009  -0.00016   2.06667
   R155       2.86344  -0.00003   0.00023   0.00004   0.00027   2.86371
   R156       2.06923  -0.00001   0.00002   0.00028   0.00029   2.06952
   R157       2.06714   0.00001   0.00004   0.00007   0.00010   2.06724
   R158       2.06637  -0.00002  -0.00020   0.00008  -0.00012   2.06625
   R159       2.06817   0.00000   0.00006  -0.00007  -0.00001   2.06816
   R160       2.06610  -0.00003  -0.00030   0.00017  -0.00013   2.06597
   R161       5.63613   0.00010   0.04109   0.05717   0.09826   5.73439
   R162       6.02319   0.00007   0.05825   0.07335   0.13167   6.15485
    A1        2.06545  -0.00011  -0.00131  -0.00050  -0.00183   2.06362
    A2        2.10824   0.00010   0.00029   0.00042   0.00072   2.10897
    A3        2.10950   0.00002   0.00101   0.00008   0.00110   2.11060
    A4        2.12830  -0.00003   0.00026  -0.00052  -0.00034   2.12795
    A5        2.06649   0.00015   0.00170   0.00172   0.00348   2.06997
    A6        2.08744  -0.00011  -0.00185  -0.00124  -0.00303   2.08441
    A7        2.06978  -0.00003   0.00030   0.00142   0.00183   2.07161
    A8        2.14295  -0.00011   0.00097   0.00039   0.00175   2.14469
    A9        2.06733   0.00014  -0.00155  -0.00194  -0.00396   2.06337
   A10        2.09032   0.00005  -0.00011  -0.00085  -0.00088   2.08944
   A11        2.10013   0.00002  -0.00137  -0.00058  -0.00233   2.09780
   A12        2.09213  -0.00007   0.00156   0.00137   0.00323   2.09536
   A13        2.10606  -0.00001   0.00004  -0.00003  -0.00006   2.10600
   A14        2.06631  -0.00008  -0.00024   0.00005  -0.00015   2.06616
   A15        2.11069   0.00010   0.00017  -0.00001   0.00021   2.11090
   A16        2.10475   0.00014   0.00072   0.00049   0.00121   2.10596
   A17        2.08862  -0.00012  -0.00052   0.00049  -0.00002   2.08860
   A18        2.08979  -0.00002  -0.00021  -0.00099  -0.00119   2.08860
   A19        2.09398   0.00018  -0.00023  -0.00036  -0.00056   2.09342
   A20        2.11131  -0.00012  -0.00178  -0.00221  -0.00399   2.10731
   A21        2.07097  -0.00006   0.00144   0.00225   0.00378   2.07475
   A22        2.07802  -0.00041  -0.00285  -0.00211  -0.00454   2.07348
   A23        2.06969   0.00009  -0.00013  -0.00078  -0.00107   2.06862
   A24        2.12991   0.00032   0.00297   0.00319   0.00596   2.13587
   A25        1.98307   0.00016  -0.01601  -0.01711  -0.03432   1.94875
   A26        2.08762  -0.00008  -0.01637  -0.01332  -0.03129   2.05633
   A27        1.83610   0.00015   0.01020   0.01189   0.02246   1.85856
   A28        2.04117  -0.00019  -0.01028  -0.00787  -0.01928   2.02190
   A29        1.61087   0.00025   0.03304   0.03361   0.06716   1.67803
   A30        2.04110  -0.00017  -0.00554  -0.00630  -0.01205   2.02904
   A31        2.08005   0.00029   0.00106   0.00287   0.00365   2.08369
   A32        2.16034  -0.00012   0.00403   0.00291   0.00733   2.16767
   A33        2.13663  -0.00003  -0.00006  -0.00086  -0.00094   2.13569
   A34        2.08277  -0.00019  -0.00275  -0.00107  -0.00379   2.07898
   A35        2.06102   0.00023   0.00267   0.00184   0.00453   2.06555
   A36        2.05916  -0.00017  -0.00234  -0.00123  -0.00359   2.05557
   A37        2.10662   0.00012   0.00052   0.00139   0.00191   2.10853
   A38        2.11662   0.00005   0.00190  -0.00022   0.00169   2.11830
   A39        2.10352   0.00021   0.00226   0.00099   0.00327   2.10679
   A40        2.09401  -0.00013   0.00047  -0.00017   0.00029   2.09430
   A41        2.08550  -0.00008  -0.00276  -0.00081  -0.00357   2.08193
   A42        2.11969  -0.00004  -0.00032  -0.00032  -0.00058   2.11911
   A43        2.09692  -0.00005   0.00131   0.00171   0.00301   2.09994
   A44        2.06616   0.00008  -0.00097  -0.00134  -0.00231   2.06385
   A45        2.07802  -0.00006   0.00144   0.00073   0.00272   2.08074
   A46        2.06180  -0.00013  -0.00989  -0.00400  -0.01436   2.04744
   A47        2.07371   0.00021   0.00185   0.00101   0.00254   2.07625
   A48        2.00937   0.00005   0.01609   0.01888   0.03480   2.04417
   A49        1.52828   0.00007  -0.00289   0.00422   0.00133   1.52960
   A50        2.07227  -0.00008   0.00117   0.00239   0.00338   2.07565
   A51        2.15086  -0.00003   0.00061  -0.00076  -0.00001   2.15085
   A52        2.05870   0.00011  -0.00154  -0.00160  -0.00312   2.05558
   A53        2.14015   0.00012   0.00048  -0.00007   0.00012   2.14027
   A54        2.09805   0.00000   0.00220   0.00130   0.00359   2.10164
   A55        2.04490  -0.00013  -0.00270  -0.00125  -0.00372   2.04118
   A56        2.07418   0.00033   0.00159   0.00174   0.00334   2.07751
   A57        2.10696  -0.00012   0.00048   0.00111   0.00155   2.10851
   A58        2.10436   0.00004   0.00061   0.00017   0.00081   2.10517
   A59        2.07186   0.00008  -0.00110  -0.00128  -0.00236   2.06950
   A60        2.13022   0.00012   0.00060   0.00022   0.00081   2.13103
   A61        2.06795  -0.00006  -0.00097  -0.00112  -0.00207   2.06588
   A62        2.08484  -0.00005   0.00031   0.00091   0.00123   2.08608
   A63        2.04480  -0.00012  -0.00187  -0.00166  -0.00355   2.04124
   A64        2.11745   0.00011   0.00213   0.00083   0.00297   2.12042
   A65        2.12093   0.00001  -0.00025   0.00083   0.00058   2.12152
   A66        2.12743   0.00000   0.00016   0.00068   0.00079   2.12822
   A67        2.03523  -0.00003   0.00001  -0.00078  -0.00074   2.03450
   A68        2.12021   0.00003  -0.00013   0.00006  -0.00004   2.12017
   A69        2.11047   0.00013   0.00189  -0.00007   0.00183   2.11230
   A70        2.11587   0.00007   0.00015   0.00073   0.00088   2.11675
   A71        2.05684  -0.00019  -0.00204  -0.00066  -0.00271   2.05414
   A72        2.11544   0.00007   0.00187  -0.00132   0.00055   2.11599
   A73        2.10881   0.00005   0.00021   0.00145   0.00167   2.11048
   A74        2.05893  -0.00012  -0.00208  -0.00014  -0.00222   2.05672
   A75        2.11336   0.00016   0.00190  -0.00035   0.00155   2.11491
   A76        2.11238  -0.00006  -0.00019   0.00096   0.00076   2.11314
   A77        2.05744  -0.00011  -0.00170  -0.00061  -0.00232   2.05513
   A78        2.11533   0.00005   0.00124   0.00000   0.00125   2.11657
   A79        2.08651  -0.00008   0.00077  -0.00030   0.00048   2.08699
   A80        2.08051   0.00003  -0.00219   0.00038  -0.00181   2.07871
   A81        2.09857  -0.00006  -0.00031   0.00013  -0.00018   2.09839
   A82        2.09880   0.00011  -0.00012   0.00017   0.00005   2.09885
   A83        2.08555  -0.00005   0.00041  -0.00028   0.00014   2.08568
   A84        2.07954   0.00014   0.00012   0.00002   0.00014   2.07968
   A85        2.10167  -0.00011   0.00023  -0.00042  -0.00019   2.10148
   A86        2.10198  -0.00003  -0.00035   0.00041   0.00006   2.10203
   A87        2.09845  -0.00006  -0.00032  -0.00009  -0.00041   2.09804
   A88        2.08587  -0.00005   0.00018  -0.00027  -0.00009   2.08578
   A89        2.09859   0.00011   0.00015   0.00036   0.00051   2.09910
   A90        2.11533   0.00006   0.00136   0.00010   0.00146   2.11679
   A91        2.08426  -0.00007   0.00030   0.00027   0.00057   2.08483
   A92        2.08267   0.00002  -0.00182  -0.00028  -0.00209   2.08058
   A93        2.11632   0.00008   0.00116   0.00051   0.00167   2.11799
   A94        2.08522  -0.00007  -0.00023   0.00029   0.00006   2.08529
   A95        2.08065  -0.00001  -0.00089  -0.00083  -0.00172   2.07893
   A96        2.09871  -0.00005  -0.00012   0.00016   0.00004   2.09875
   A97        2.09850   0.00010  -0.00041   0.00004  -0.00037   2.09813
   A98        2.08571  -0.00005   0.00052  -0.00021   0.00031   2.08602
   A99        2.07925   0.00012  -0.00026  -0.00047  -0.00073   2.07852
   A100       2.10215  -0.00003   0.00113  -0.00047   0.00067   2.10282
   A101       2.10179  -0.00010  -0.00087   0.00093   0.00007   2.10185
   A102       2.09834  -0.00005  -0.00001   0.00027   0.00025   2.09859
   A103       2.08560  -0.00006   0.00032  -0.00023   0.00010   2.08570
   A104       2.09897   0.00011  -0.00031  -0.00006  -0.00036   2.09861
   A105       2.11675   0.00009   0.00129   0.00019   0.00149   2.11824
   A106       2.08536  -0.00004   0.00005   0.00031   0.00038   2.08573
   A107       2.08011  -0.00004  -0.00132  -0.00056  -0.00186   2.07825
   A108       2.11641   0.00003   0.00084   0.00039   0.00124   2.11764
   A109       2.08641  -0.00003   0.00033  -0.00008   0.00024   2.08665
   A110       2.07953  -0.00000  -0.00119  -0.00032  -0.00150   2.07803
   A111       2.09848  -0.00006   0.00001   0.00004   0.00004   2.09852
   A112       2.09876   0.00010  -0.00035   0.00014  -0.00021   2.09854
   A113       2.08569  -0.00005   0.00033  -0.00018   0.00015   2.08584
   A114       2.07900   0.00013  -0.00017  -0.00011  -0.00028   2.07872
   A115       2.10195  -0.00006   0.00026   0.00006   0.00032   2.10227
   A116       2.10224  -0.00007  -0.00009   0.00005  -0.00004   2.10220
   A117       2.09888  -0.00006  -0.00024   0.00005  -0.00019   2.09869
   A118       2.08573  -0.00004   0.00049  -0.00032   0.00017   2.08590
   A119       2.09831   0.00010  -0.00030   0.00030   0.00000   2.09831
   A120       2.11602   0.00006   0.00129   0.00025   0.00154   2.11755
   A121       2.08501  -0.00006   0.00004   0.00024   0.00028   2.08530
   A122       2.08141   0.00000  -0.00139  -0.00045  -0.00184   2.07957
   A123       2.19603   0.00006  -0.00042   0.00047   0.00005   2.19607
   A124       2.19612   0.00008   0.00068  -0.00033   0.00035   2.19647
   A125       1.89103  -0.00014  -0.00026  -0.00013  -0.00039   1.89064
   A126       2.19653  -0.00002   0.00017  -0.00054  -0.00038   2.19615
   A127       2.19590   0.00010  -0.00043   0.00056   0.00014   2.19604
   A128       1.89075  -0.00009   0.00026  -0.00002   0.00024   1.89099
   A129       2.19604   0.00005   0.00031  -0.00029   0.00002   2.19605
   A130       2.19628   0.00005  -0.00029   0.00039   0.00010   2.19638
   A131       1.89087  -0.00010  -0.00002  -0.00010  -0.00012   1.89075
   A132       1.90132   0.00002  -0.00004   0.00017   0.00013   1.90145
   A133       2.26112  -0.00011  -0.00022  -0.00042  -0.00064   2.26048
   A134       2.12012   0.00009   0.00032   0.00025   0.00057   2.12069
   A135       1.86570   0.00003  -0.00009  -0.00013  -0.00022   1.86549
   A136       2.08718  -0.00004  -0.00012  -0.00016  -0.00028   2.08690
   A137       2.33021   0.00001   0.00018   0.00030   0.00048   2.33069
   A138       1.86570   0.00003  -0.00026   0.00004  -0.00021   1.86549
   A139       2.33017   0.00001   0.00042   0.00008   0.00050   2.33067
   A140       2.08723  -0.00004  -0.00019  -0.00012  -0.00031   2.08691
   A141       1.90130   0.00001   0.00013  -0.00006   0.00006   1.90136
   A142       2.26119  -0.00008  -0.00054   0.00004  -0.00049   2.26070
   A143       2.12008   0.00008   0.00046   0.00003   0.00049   2.12057
   A144       1.90152   0.00001   0.00010  -0.00013  -0.00004   1.90148
   A145       2.26062  -0.00006   0.00025   0.00012   0.00037   2.26099
   A146       2.12048   0.00005  -0.00037  -0.00001  -0.00039   2.12009
   A147       1.86537   0.00006   0.00004   0.00017   0.00021   1.86558
   A148       2.08683  -0.00001   0.00041   0.00005   0.00046   2.08729
   A149       2.33091  -0.00005  -0.00048  -0.00023  -0.00070   2.33020
   A150       1.86540   0.00006   0.00018   0.00002   0.00020   1.86561
   A151       2.33088  -0.00005  -0.00068   0.00002  -0.00067   2.33022
   A152       2.08683  -0.00001   0.00047  -0.00005   0.00042   2.08725
   A153       1.90145   0.00001  -0.00005   0.00007   0.00002   1.90147
   A154       2.26073  -0.00006   0.00044  -0.00024   0.00020   2.26093
   A155       2.12048   0.00005  -0.00046   0.00015  -0.00032   2.12017
   A156       1.90141   0.00001  -0.00002   0.00015   0.00013   1.90154
   A157       2.26083  -0.00008   0.00032  -0.00044  -0.00012   2.26071
   A158       2.12038   0.00006  -0.00031   0.00028  -0.00003   2.12035
   A159       1.86553   0.00004   0.00002  -0.00008  -0.00006   1.86547
   A160       2.08703  -0.00002   0.00035  -0.00017   0.00018   2.08721
   A161       2.33054  -0.00002  -0.00039   0.00024  -0.00015   2.33040
   A162       1.86548   0.00004  -0.00004  -0.00000  -0.00004   1.86544
   A163       2.33062  -0.00002  -0.00029   0.00009  -0.00020   2.33042
   A164       2.08700  -0.00002   0.00030  -0.00009   0.00021   2.08721
   A165       1.90148   0.00001   0.00006   0.00003   0.00010   1.90158
   A166       2.26094  -0.00007   0.00013  -0.00017  -0.00004   2.26091
   A167       2.12019   0.00006  -0.00022   0.00013  -0.00009   2.12010
   A168       2.07971   0.00003   0.00012   0.00003   0.00015   2.07986
   A169       2.10051  -0.00007  -0.00079   0.00015  -0.00064   2.09987
   A170       2.10295   0.00003   0.00068  -0.00018   0.00050   2.10344
   A171       2.10381  -0.00001  -0.00016   0.00011  -0.00005   2.10376
   A172       2.09189   0.00003   0.00055  -0.00012   0.00043   2.09232
   A173       2.08747  -0.00002  -0.00039   0.00001  -0.00038   2.08709
   A174       2.11969   0.00002   0.00034  -0.00011   0.00023   2.11992
   A175       2.08500   0.00001   0.00001  -0.00004  -0.00003   2.08497
   A176       2.07848  -0.00003  -0.00035   0.00015  -0.00020   2.07828
   A177       2.05566  -0.00008  -0.00053   0.00007  -0.00046   2.05519
   A178       2.11807  -0.00002  -0.00023  -0.00009  -0.00031   2.11776
   A179       2.10944   0.00009   0.00075   0.00002   0.00077   2.11021
   A180       2.05559  -0.00009  -0.00052  -0.00005  -0.00057   2.05502
   A181       2.11809  -0.00001   0.00001  -0.00029  -0.00028   2.11781
   A182       2.10948   0.00010   0.00051   0.00033   0.00084   2.11033
   A183       2.11974   0.00002   0.00040  -0.00012   0.00029   2.12003
   A184       2.07839  -0.00004  -0.00042   0.00012  -0.00030   2.07809
   A185       2.08504   0.00002   0.00001  -0.00000   0.00001   2.08505
   A186       2.10380  -0.00001  -0.00020   0.00014  -0.00006   2.10374
   A187       2.08760  -0.00002  -0.00035  -0.00002  -0.00038   2.08722
   A188       2.09177   0.00004   0.00054  -0.00011   0.00043   2.09221
   A189       2.07974   0.00003   0.00014  -0.00005   0.00009   2.07984
   A190       2.10050  -0.00007  -0.00078   0.00015  -0.00063   2.09987
   A191       2.10292   0.00004   0.00065  -0.00010   0.00055   2.10347
   A192       2.07978   0.00003   0.00015  -0.00008   0.00008   2.07986
   A193       2.10058  -0.00007  -0.00094   0.00014  -0.00080   2.09977
   A194       2.10282   0.00004   0.00079  -0.00007   0.00073   2.10355
   A195       2.10397  -0.00003  -0.00053   0.00010  -0.00042   2.10354
   A196       2.09173   0.00004   0.00070  -0.00010   0.00060   2.09234
   A197       2.08748  -0.00001  -0.00018  -0.00001  -0.00019   2.08729
   A198       2.11968   0.00003   0.00053  -0.00011   0.00041   2.12010
   A199       2.08499   0.00002   0.00015   0.00005   0.00020   2.08519
   A200       2.07851  -0.00005  -0.00068   0.00006  -0.00062   2.07789
   A201       2.05547  -0.00007  -0.00017  -0.00002  -0.00019   2.05528
   A202       2.11770  -0.00000   0.00032   0.00001   0.00033   2.11803
   A203       2.11000   0.00008  -0.00016   0.00001  -0.00015   2.10985
   A204       2.05547  -0.00007  -0.00017   0.00001  -0.00015   2.05531
   A205       2.11749   0.00001   0.00053   0.00008   0.00061   2.11810
   A206       2.11020   0.00006  -0.00037  -0.00009  -0.00046   2.10974
   A207       2.11966   0.00003   0.00048  -0.00005   0.00043   2.12009
   A208       2.07858  -0.00005  -0.00064   0.00002  -0.00062   2.07796
   A209       2.08493   0.00002   0.00016   0.00003   0.00019   2.08512
   A210       2.10398  -0.00003  -0.00050   0.00007  -0.00044   2.10355
   A211       2.08745  -0.00002  -0.00023   0.00005  -0.00019   2.08726
   A212       2.09174   0.00004   0.00073  -0.00011   0.00062   2.09236
   A213       2.07978   0.00003   0.00015  -0.00007   0.00008   2.07986
   A214       2.10057  -0.00007  -0.00090   0.00013  -0.00077   2.09980
   A215       2.10282   0.00004   0.00076  -0.00006   0.00070   2.10352
   A216       2.07984   0.00003   0.00014  -0.00006   0.00008   2.07992
   A217       2.10052  -0.00007  -0.00084   0.00012  -0.00072   2.09979
   A218       2.10282   0.00004   0.00071  -0.00007   0.00064   2.10346
   A219       2.10385  -0.00002  -0.00043   0.00011  -0.00032   2.10353
   A220       2.09176   0.00004   0.00064  -0.00009   0.00055   2.09231
   A221       2.08756  -0.00002  -0.00022  -0.00002  -0.00024   2.08732
   A222       2.11966   0.00003   0.00052  -0.00008   0.00044   2.12010
   A223       2.08494   0.00002   0.00007   0.00002   0.00009   2.08504
   A224       2.07857  -0.00005  -0.00060   0.00007  -0.00053   2.07804
   A225       2.05566  -0.00008  -0.00030  -0.00002  -0.00032   2.05534
   A226       2.11764  -0.00000   0.00016  -0.00016   0.00001   2.11764
   A227       2.10988   0.00008   0.00013   0.00018   0.00030   2.11018
   A228       2.05543  -0.00008  -0.00025  -0.00009  -0.00034   2.05509
   A229       2.11804  -0.00000   0.00026  -0.00025   0.00001   2.11805
   A230       2.10970   0.00008  -0.00002   0.00034   0.00032   2.11002
   A231       2.11976   0.00003   0.00053  -0.00011   0.00042   2.12018
   A232       2.07840  -0.00004  -0.00062   0.00009  -0.00054   2.07786
   A233       2.08502   0.00002   0.00010   0.00002   0.00012   2.08514
   A234       2.10392  -0.00002  -0.00045   0.00014  -0.00030   2.10361
   A235       2.08749  -0.00002  -0.00022  -0.00004  -0.00026   2.08723
   A236       2.09177   0.00004   0.00066  -0.00010   0.00056   2.09233
   A237       2.07969   0.00003   0.00013  -0.00006   0.00007   2.07976
   A238       2.10059  -0.00007  -0.00088   0.00013  -0.00075   2.09984
   A239       2.10290   0.00004   0.00075  -0.00007   0.00068   2.10358
   A240       2.02533   0.00007   0.00337   0.00008   0.00339   2.02873
   A241       1.83014   0.00001   0.00124   0.00431   0.00571   1.83585
   A242       1.71343  -0.00034   0.00019   0.00311   0.00327   1.71670
   A243       2.03964  -0.00004  -0.00467  -0.00461  -0.00928   2.03036
   A244       2.02910   0.00009  -0.00410  -0.00164  -0.00571   2.02339
   A245       1.78149   0.00017   0.00512   0.00029   0.00534   1.78682
   A246       2.12405   0.00001  -0.00281  -0.00100  -0.00324   2.12081
   A247       2.05985   0.00015  -0.00048   0.00074   0.00026   2.06011
   A248       1.87677  -0.00003   0.00305   0.00127   0.00416   1.88093
   A249       1.86971   0.00001   0.00009   0.00195   0.00209   1.87180
   A250       1.89447   0.00004   0.00134   0.00116   0.00265   1.89712
   A251       1.96343   0.00002  -0.00342  -0.00383  -0.00720   1.95623
   A252       1.96394   0.00006  -0.00287  -0.00182  -0.00469   1.95925
   A253       1.89209  -0.00008   0.00206   0.00160   0.00357   1.89566
   A254       1.90902  -0.00017  -0.00086   0.00085  -0.00001   1.90901
   A255       1.93924   0.00007   0.00066  -0.00065   0.00001   1.93925
   A256       1.93888   0.00004  -0.00035   0.00006  -0.00029   1.93859
   A257       1.88976   0.00005   0.00028  -0.00014   0.00013   1.88990
   A258       1.88940   0.00005   0.00055  -0.00003   0.00053   1.88992
   A259       1.89621  -0.00003  -0.00027  -0.00009  -0.00035   1.89586
   A260       1.88169  -0.00010   0.00001  -0.00026  -0.00024   1.88145
   A261       1.88949   0.00006   0.00060   0.00039   0.00098   1.89048
   A262       1.89405   0.00001   0.00031   0.00022   0.00053   1.89458
   A263       1.94722   0.00005   0.00010  -0.00017  -0.00007   1.94715
   A264       1.95074   0.00007  -0.00013  -0.00024  -0.00037   1.95038
   A265       1.89895  -0.00008  -0.00084   0.00008  -0.00076   1.89820
   A266       1.93755  -0.00002   0.00012  -0.00013  -0.00001   1.93754
   A267       1.91325  -0.00003   0.00009   0.00014   0.00023   1.91348
   A268       1.93498  -0.00003  -0.00096  -0.00003  -0.00098   1.93399
   A269       1.89146   0.00003   0.00032   0.00011   0.00042   1.89188
   A270       1.89351   0.00002   0.00003  -0.00009  -0.00006   1.89345
   A271       1.89195   0.00003   0.00044   0.00000   0.00044   1.89239
   A272       1.87979   0.00006  -0.00996  -0.00857  -0.01857   1.86123
   A273       1.67395   0.00007  -0.01713  -0.01575  -0.03295   1.64100
   A274       1.74376   0.00032   0.03119   0.03283   0.06392   1.80767
   A275       1.78894   0.00025   0.01600   0.01584   0.03192   1.82086
   A276       1.26981  -0.00006   0.02266   0.02316   0.04592   1.31573
   A277       1.35277  -0.00010   0.00821   0.00765   0.01587   1.36864
   A278       0.57852  -0.00005  -0.00469  -0.00646  -0.01115   0.56737
    D1        0.01207  -0.00002  -0.00274   0.00080  -0.00191   0.01016
    D2        3.10639   0.00008   0.00109  -0.00033   0.00079   3.10719
    D3       -3.12943  -0.00000  -0.00341   0.00141  -0.00199  -3.13142
    D4       -0.03510   0.00009   0.00042   0.00028   0.00071  -0.03439
    D5       -0.03293   0.00003  -0.00062  -0.00016  -0.00077  -0.03371
    D6        3.10154   0.00010  -0.00046  -0.00072  -0.00119   3.10034
    D7        3.10856   0.00001   0.00005  -0.00077  -0.00070   3.10787
    D8       -0.04015   0.00009   0.00021  -0.00133  -0.00112  -0.04127
    D9        2.45252   0.00030   0.02868   0.00857   0.03726   2.48978
   D10       -0.68830   0.00028   0.02758   0.00845   0.03604  -0.65226
   D11       -0.68898   0.00032   0.02799   0.00920   0.03718  -0.65180
   D12        2.45339   0.00030   0.02690   0.00908   0.03596   2.48935
   D13        0.03539  -0.00002   0.00398  -0.00093   0.00301   0.03840
   D14       -3.01993  -0.00005   0.00732   0.00095   0.00835  -3.01158
   D15       -3.05839  -0.00013   0.00002   0.00013   0.00011  -3.05827
   D16        0.16948  -0.00016   0.00335   0.00202   0.00546   0.17494
   D17       -0.06254   0.00005  -0.00190   0.00046  -0.00143  -0.06397
   D18        3.04156   0.00003   0.00033  -0.00126  -0.00084   3.04072
   D19        2.99656   0.00006  -0.00496  -0.00123  -0.00625   2.99031
   D20       -0.18252   0.00005  -0.00273  -0.00295  -0.00566  -0.18819
   D21       -2.96164   0.00017   0.01788   0.01480   0.03274  -2.92889
   D22        0.30794   0.00010   0.02158   0.01763   0.03934   0.34727
   D23        0.26612   0.00015   0.02110   0.01652   0.03779   0.30391
   D24       -2.74750   0.00008   0.02480   0.01935   0.04439  -2.70311
   D25        0.04299  -0.00004  -0.00137   0.00011  -0.00124   0.04176
   D26       -3.11522  -0.00007  -0.00210   0.00090  -0.00119  -3.11641
   D27       -3.06128  -0.00002  -0.00352   0.00186  -0.00170  -3.06298
   D28        0.06369  -0.00006  -0.00425   0.00265  -0.00165   0.06204
   D29       -0.28327  -0.00015  -0.03073  -0.03077  -0.06164  -0.34491
   D30        2.91858  -0.00009  -0.02347  -0.02160  -0.04529   2.87328
   D31        2.82079  -0.00016  -0.02854  -0.03254  -0.06114   2.75965
   D32       -0.26054  -0.00011  -0.02128  -0.02338  -0.04480  -0.30534
   D33        0.00561   0.00000   0.00266  -0.00030   0.00234   0.00795
   D34       -3.12886  -0.00007   0.00249   0.00026   0.00275  -3.12610
   D35       -3.11894   0.00004   0.00344  -0.00111   0.00230  -3.11664
   D36        0.02978  -0.00004   0.00326  -0.00055   0.00271   0.03249
   D37        0.12860  -0.00015  -0.00411   0.00525   0.00132   0.12992
   D38       -2.90211  -0.00016  -0.00471   0.00198  -0.00262  -2.90473
   D39       -3.13803  -0.00009  -0.00799   0.00216  -0.00572   3.13944
   D40        0.11445  -0.00010  -0.00859  -0.00110  -0.00966   0.10479
   D41        2.97478   0.00017   0.00199  -0.00085   0.00106   2.97584
   D42       -0.08534   0.00007   0.00349   0.00035   0.00380  -0.08154
   D43       -0.04049   0.00009   0.00582   0.00213   0.00789  -0.03260
   D44       -3.10061  -0.00001   0.00732   0.00333   0.01063  -3.08998
   D45       -0.57674   0.00001  -0.02407  -0.03410  -0.05791  -0.63465
   D46       -3.10468   0.00025   0.03749   0.02956   0.06636  -3.03832
   D47        1.15894   0.00043   0.01255   0.00426   0.01711   1.17605
   D48        2.44998   0.00000  -0.02368  -0.03099  -0.05431   2.39567
   D49       -0.07796   0.00024   0.03788   0.03267   0.06996  -0.00800
   D50       -2.09753   0.00042   0.01294   0.00736   0.02071  -2.07682
   D51       -0.10207   0.00003   0.00513  -0.00102   0.00409  -0.09798
   D52        3.00795   0.00001   0.00806   0.00113   0.00922   3.01717
   D53       -3.12931   0.00008   0.00491  -0.00403   0.00072  -3.12860
   D54       -0.01930   0.00005   0.00785  -0.00187   0.00585  -0.01345
   D55        0.64928   0.00022   0.04086   0.04583   0.08670   0.73598
   D56       -2.55561   0.00018   0.03309   0.03618   0.06929  -2.48632
   D57       -3.08868   0.00003  -0.02156  -0.01794  -0.03926  -3.12794
   D58       -0.01039  -0.00001  -0.02933  -0.02759  -0.05666  -0.06705
   D59       -1.23034  -0.00009   0.01822   0.01992   0.03810  -1.19224
   D60        1.84795  -0.00014   0.01045   0.01027   0.02070   1.86865
   D61        2.51675  -0.00005  -0.02929  -0.03579  -0.06442   2.45233
   D62       -1.02139   0.00007  -0.04661  -0.04168  -0.08768  -1.10908
   D63        0.00856   0.00008   0.03752   0.03314   0.07028   0.07884
   D64        2.75360   0.00019   0.02020   0.02725   0.04701   2.80062
   D65        2.35728  -0.00014  -0.00452  -0.00514  -0.00934   2.34793
   D66        1.76893  -0.00013  -0.00325  -0.00277  -0.00596   1.76298
   D67       -1.91455   0.00014  -0.00731  -0.01034  -0.01764  -1.93219
   D68       -2.50289   0.00015  -0.00603  -0.00796  -0.01425  -2.51715
   D69        3.09393  -0.00009  -0.00325  -0.00325  -0.00630   3.08762
   D70        0.01697  -0.00003   0.00496   0.00691   0.01214   0.02911
   D71       -0.04901   0.00001   0.00090  -0.00086   0.00006  -0.04895
   D72        3.13486  -0.00002  -0.00111   0.00087  -0.00021   3.13465
   D73        3.01208   0.00009  -0.00081  -0.00218  -0.00303   3.00905
   D74       -0.08724   0.00007  -0.00282  -0.00045  -0.00330  -0.09054
   D75        0.06374  -0.00006  -0.00465  -0.00143  -0.00605   0.05769
   D76       -3.09685  -0.00002  -0.00621  -0.00058  -0.00680  -3.10364
   D77       -3.12039  -0.00004  -0.00266  -0.00313  -0.00577  -3.12616
   D78        0.00221   0.00000  -0.00422  -0.00229  -0.00652  -0.00431
   D79        2.39624   0.00065   0.03937   0.00715   0.04652   2.44275
   D80       -0.74574   0.00064   0.03978   0.00583   0.04560  -0.70014
   D81       -0.70167   0.00063   0.03739   0.00896   0.04636  -0.65531
   D82        2.43954   0.00063   0.03780   0.00764   0.04545   2.48499
   D83        0.01178   0.00004   0.00162   0.00240   0.00401   0.01579
   D84       -3.09878   0.00007  -0.00127   0.00023  -0.00111  -3.09989
   D85       -3.11091  -0.00000   0.00313   0.00156   0.00471  -3.10620
   D86        0.06172   0.00002   0.00024  -0.00061  -0.00041   0.06131
   D87       -0.01409  -0.00009  -0.02460  -0.02087  -0.04558  -0.05967
   D88       -3.09834  -0.00012  -0.02934  -0.02148  -0.05100   3.13384
   D89       -2.75642  -0.00013  -0.00445  -0.01379  -0.01809  -2.77451
   D90        0.44252  -0.00016  -0.00919  -0.01441  -0.02351   0.41900
   D91       -0.97974   0.00011   0.00369   0.00470   0.00870  -0.97104
   D92        2.21919   0.00009  -0.00104   0.00408   0.00328   2.22247
   D93        0.14946   0.00012   0.03012   0.02583   0.05580   0.20526
   D94       -2.12888   0.00011   0.03277   0.02824   0.06077  -2.06811
   D95        2.32391   0.00003   0.02696   0.02601   0.05281   2.37672
   D96        2.89551   0.00017   0.01275   0.01989   0.03265   2.92816
   D97        0.61716   0.00017   0.01540   0.02230   0.03762   0.65479
   D98       -1.21323   0.00009   0.00959   0.02007   0.02966  -1.18357
   D99        0.84481   0.00002  -0.00473  -0.00489  -0.00952   0.83529
   D100      -1.43353   0.00001  -0.00208  -0.00248  -0.00454  -1.43808
   D101       3.01926  -0.00007  -0.00788  -0.00471  -0.01250   3.00675
   D102      -1.10540  -0.00019  -0.02163  -0.02700  -0.04863  -1.15403
   D103      -1.69857  -0.00016  -0.01593  -0.01998  -0.03595  -1.73452
   D104       1.00394   0.00009  -0.01710  -0.01931  -0.03636   0.96758
   D105       0.41077   0.00013  -0.01139  -0.01228  -0.02369   0.38708
   D106       0.02130   0.00004  -0.00075  -0.00051  -0.00125   0.02004
   D107      -3.10577  -0.00001  -0.00197   0.00187  -0.00012  -3.10588
   D108       3.10860   0.00006   0.00382   0.00010   0.00396   3.11256
   D109      -0.01847   0.00001   0.00259   0.00248   0.00510  -0.01337
   D110       3.10610   0.00001   0.00324  -0.00090   0.00234   3.10844
   D111      -0.03116   0.00006   0.00005  -0.00058  -0.00050  -0.03167
   D112       0.02143  -0.00001  -0.00157  -0.00164  -0.00323   0.01820
   D113      -3.11583   0.00004  -0.00475  -0.00131  -0.00607  -3.12190
   D114      -0.02264   0.00001   0.01049   0.00743   0.01797  -0.00467
   D115       3.10484   0.00007   0.01174   0.00514   0.01692   3.12176
   D116       0.00243  -0.00001  -0.00211  -0.00133  -0.00346  -0.00102
   D117       3.11761   0.00005   0.00018  -0.00291  -0.00274   3.11487
   D118      -3.12540  -0.00006  -0.00331   0.00091  -0.00241  -3.12782
   D119      -0.01023  -0.00001  -0.00102  -0.00067  -0.00169  -0.01192
   D120      -0.00851   0.00001  -0.00004  -0.00039  -0.00042  -0.00893
   D121       3.11307   0.00007  -0.00261   0.00041  -0.00220   3.11087
   D122       3.12884  -0.00004   0.00307  -0.00071   0.00237   3.13121
   D123      -0.03277   0.00003   0.00049   0.00009   0.00059  -0.03217
   D124      -0.00778  -0.00000   0.00060   0.00156   0.00216  -0.00562
   D125       3.13825  -0.00001  -0.00098   0.00268   0.00170   3.13995
   D126      -3.12917  -0.00007   0.00321   0.00077   0.00399  -3.12518
   D127       0.01686  -0.00007   0.00163   0.00189   0.00353   0.02039
   D128       0.01071   0.00000   0.00048  -0.00068  -0.00021   0.01050
   D129      -3.10319  -0.00005  -0.00193   0.00099  -0.00095  -3.10414
   D130      -3.13534   0.00000   0.00207  -0.00180   0.00026  -3.13507
   D131       0.03395  -0.00005  -0.00034  -0.00013  -0.00048   0.03347
   D132       0.68666  -0.00046  -0.03088  -0.00948  -0.04035   0.64631
   D133      -2.45581  -0.00045  -0.02947  -0.00990  -0.03937  -2.49518
   D134      -2.45029  -0.00046  -0.03252  -0.00830  -0.04083  -2.49112
   D135       0.69042  -0.00045  -0.03111  -0.00873  -0.03984   0.65058
   D136      -3.13091  -0.00002  -0.00125   0.00025  -0.00100  -3.13191
   D137      -0.03774   0.00006   0.00006  -0.00063  -0.00057  -0.03831
   D138       0.00993  -0.00000  -0.00019   0.00037   0.00018   0.01011
   D139       3.10311   0.00008   0.00112  -0.00052   0.00061   3.10371
   D140      -3.13622   0.00001   0.00009   0.00018   0.00027  -3.13595
   D141      -0.04233   0.00010   0.00154  -0.00128   0.00026  -0.04207
   D142       0.00612  -0.00000  -0.00097   0.00006  -0.00091   0.00521
   D143       3.10001   0.00008   0.00047  -0.00140  -0.00092   3.09909
   D144      -3.13140  -0.00003  -0.00134  -0.00056  -0.00190  -3.13330
   D145      -0.03395   0.00002  -0.00580   0.00174  -0.00405  -0.03800
   D146       0.01057  -0.00002  -0.00174   0.00072  -0.00101   0.00956
   D147       3.10802   0.00002  -0.00620   0.00303  -0.00316   3.10485
   D148      -3.13350   0.00000   0.00096  -0.00056   0.00040  -3.13309
   D149      -0.03842   0.00006  -0.00278   0.00156  -0.00122  -0.03964
   D150       0.00772  -0.00000   0.00136  -0.00184  -0.00048   0.00725
   D151       3.10280   0.00006  -0.00238   0.00028  -0.00210   3.10070
   D152       3.13256   0.00001   0.00220  -0.00061   0.00159   3.13414
   D153       0.03540  -0.00003   0.00252  -0.00024   0.00228   0.03767
   D154      -0.00818   0.00000   0.00083  -0.00020   0.00063  -0.00755
   D155      -3.10534  -0.00004   0.00115   0.00017   0.00132  -3.10402
   D156       3.13536   0.00000  -0.00091   0.00083  -0.00008   3.13528
   D157       0.03557  -0.00005   0.00068  -0.00029   0.00039   0.03596
   D158      -0.00709   0.00001   0.00046   0.00042   0.00088  -0.00621
   D159      -3.10688  -0.00004   0.00206  -0.00070   0.00135  -3.10553
   D160      -0.01846   0.00003   0.00071   0.00080   0.00151  -0.01695
   D161       3.09826   0.00003   0.00001   0.00181   0.00182   3.10008
   D162      -3.11606  -0.00002   0.00508  -0.00148   0.00360  -3.11246
   D163       0.00066  -0.00001   0.00437  -0.00047   0.00391   0.00457
   D164       0.00791  -0.00001   0.00072  -0.00123  -0.00051   0.00740
   D165      -3.13406   0.00000  -0.00036  -0.00011  -0.00048  -3.13454
   D166      -3.10900  -0.00001   0.00142  -0.00224  -0.00082  -3.10981
   D167       0.03222  -0.00000   0.00034  -0.00112  -0.00078   0.03143
   D168       0.01013  -0.00002  -0.00111   0.00013  -0.00098   0.00915
   D169      -3.10618  -0.00002  -0.00167  -0.00005  -0.00172  -3.10789
   D170      -3.13108  -0.00003  -0.00003  -0.00099  -0.00102  -3.13210
   D171       0.03579  -0.00003  -0.00059  -0.00116  -0.00175   0.03405
   D172       0.91109   0.00020   0.00946   0.00303   0.01249   0.92358
   D173      -2.22703   0.00020   0.00866   0.00353   0.01218  -2.21485
   D174      -2.23089   0.00020   0.00837   0.00416   0.01253  -2.21837
   D175       0.91418   0.00020   0.00756   0.00466   0.01222   0.92639
   D176      -0.01812   0.00003   0.00004   0.00144   0.00148  -0.01664
   D177      -3.11324  -0.00003   0.00372  -0.00069   0.00303  -3.11021
   D178       3.09800   0.00003   0.00060   0.00160   0.00221   3.10021
   D179       0.00288  -0.00003   0.00428  -0.00053   0.00376   0.00664
   D180      -0.01684   0.00000   0.00121  -0.00038   0.00083  -0.01601
   D181       3.09981   0.00001   0.00071  -0.00065   0.00005   3.09986
   D182      -3.11014  -0.00007  -0.00013   0.00047   0.00035  -3.10979
   D183       0.00651  -0.00007  -0.00063   0.00020  -0.00043   0.00608
   D184       0.00752  -0.00000  -0.00107  -0.00005  -0.00112   0.00641
   D185      -3.13340  -0.00000  -0.00131   0.00042  -0.00089  -3.13429
   D186      -3.10931  -0.00001  -0.00056   0.00022  -0.00033  -3.10964
   D187       0.03295  -0.00000  -0.00080   0.00070  -0.00011   0.03285
   D188       0.00830  -0.00000  -0.00010   0.00047   0.00037   0.00867
   D189      -3.10812  -0.00001  -0.00044   0.00144   0.00100  -3.10712
   D190      -3.13396  -0.00000   0.00015  -0.00001   0.00015  -3.13382
   D191       0.03280  -0.00001  -0.00019   0.00097   0.00077   0.03358
   D192      -2.22136   0.00019  -0.00294  -0.00274  -0.00568  -2.22704
   D193       0.92357   0.00019  -0.00375  -0.00371  -0.00746   0.91611
   D194       0.92092   0.00020  -0.00319  -0.00226  -0.00545   0.91546
   D195      -2.21734   0.00019  -0.00400  -0.00323  -0.00723  -2.22457
   D196      -0.01527   0.00001   0.00112  -0.00048   0.00064  -0.01462
   D197      -3.10930  -0.00008  -0.00036   0.00095   0.00059  -3.10870
   D198       3.10096   0.00001   0.00149  -0.00146   0.00002   3.10098
   D199       0.00692  -0.00007   0.00000  -0.00003  -0.00003   0.00690
   D200       0.01573  -0.00001  -0.00118  -0.00021  -0.00138   0.01434
   D201      -3.10098  -0.00001  -0.00073   0.00032  -0.00041  -3.10139
   D202       3.11306   0.00003  -0.00145  -0.00057  -0.00203   3.11103
   D203      -0.00365   0.00004  -0.00101  -0.00004  -0.00105  -0.00470
   D204      -0.00788   0.00001   0.00023   0.00041   0.00064  -0.00724
   D205       3.13386   0.00001  -0.00073   0.00121   0.00048   3.13434
   D206       3.10901   0.00000  -0.00023  -0.00011  -0.00034   3.10868
   D207      -0.03243   0.00000  -0.00119   0.00069  -0.00049  -0.03292
   D208      -0.00717   0.00001   0.00106  -0.00019   0.00086  -0.00630
   D209       3.10980   0.00001  -0.00096   0.00104   0.00008   3.10987
   D210       3.13428   0.00001   0.00202  -0.00100   0.00102   3.13530
   D211      -0.03194   0.00001   0.00000   0.00023   0.00023  -0.03171
   D212       2.22184  -0.00022  -0.00237  -0.00173  -0.00409   2.21774
   D213      -0.91785  -0.00022  -0.00285  -0.00215  -0.00500  -0.92285
   D214      -0.91961  -0.00022  -0.00334  -0.00091  -0.00425  -0.92386
   D215       2.22389  -0.00022  -0.00382  -0.00133  -0.00515   2.21874
   D216       0.01480  -0.00002  -0.00140  -0.00023  -0.00163   0.01317
   D217       3.11468   0.00003  -0.00296   0.00091  -0.00205   3.11263
   D218      -3.10198  -0.00002   0.00062  -0.00146  -0.00084  -3.10282
   D219      -0.00211   0.00004  -0.00094  -0.00032  -0.00126  -0.00337
   D220      -3.13942   0.00000  -0.00033  -0.00067  -0.00100  -3.14042
   D221       0.03859   0.00001   0.00042   0.00030   0.00072   0.03931
   D222      -0.00068   0.00000   0.00036   0.00016   0.00051  -0.00017
   D223      -3.10585   0.00001   0.00111   0.00113   0.00223  -3.10361
   D224       3.13796  -0.00000   0.00041   0.00082   0.00122   3.13919
   D225       0.03114   0.00002   0.00270   0.00165   0.00435   0.03548
   D226      -0.00078  -0.00000  -0.00028  -0.00001  -0.00029  -0.00107
   D227      -3.10761   0.00002   0.00201   0.00083   0.00283  -3.10477
   D228      -3.13924  -0.00000   0.00018  -0.00043  -0.00025  -3.13949
   D229       0.04056  -0.00001  -0.00155  -0.00054  -0.00209   0.03847
   D230      -0.00062  -0.00000   0.00087  -0.00085   0.00002  -0.00060
   D231      -3.10401  -0.00001  -0.00086  -0.00096  -0.00182  -3.10583
   D232       3.13767   0.00000   0.00011   0.00035   0.00046   3.13813
   D233       0.03406  -0.00001  -0.00178   0.00018  -0.00161   0.03246
   D234      -0.00095   0.00000  -0.00058   0.00077   0.00019  -0.00076
   D235      -3.10456  -0.00001  -0.00247   0.00061  -0.00187  -3.10643
   D236      -3.13934  -0.00001  -0.00075  -0.00011  -0.00085  -3.14020
   D237      -0.03417  -0.00001  -0.00100  -0.00048  -0.00147  -0.03564
   D238       0.00062  -0.00000  -0.00033   0.00025  -0.00008   0.00054
   D239       3.10580  -0.00000  -0.00058  -0.00012  -0.00070   3.10510
   D240       3.14080   0.00001   0.00047   0.00006   0.00052   3.14133
   D241      -0.03725   0.00000  -0.00021  -0.00023  -0.00043  -0.03769
   D242       0.00084  -0.00000   0.00005  -0.00030  -0.00025   0.00059
   D243       3.10597  -0.00001  -0.00062  -0.00059  -0.00121   3.10476
   D244       0.00190   0.00000  -0.00081   0.00060  -0.00021   0.00169
   D245      -3.12730  -0.00001   0.00095   0.00035   0.00130  -3.12601
   D246       3.10895   0.00000   0.00074   0.00068   0.00142   3.11038
   D247      -0.02025  -0.00001   0.00251   0.00043   0.00293  -0.01732
   D248       3.11891   0.00001   0.00040  -0.00054  -0.00014   3.11877
   D249      -0.01545   0.00003   0.00117  -0.00055   0.00062  -0.01483
   D250       0.01969  -0.00000  -0.00151  -0.00066  -0.00217   0.01753
   D251      -3.11467   0.00002  -0.00074  -0.00067  -0.00140  -3.11608
   D252      -0.00244   0.00000   0.00045  -0.00013   0.00032  -0.00212
   D253       3.12434   0.00002  -0.00133  -0.00029  -0.00162   3.12272
   D254       3.12430   0.00001  -0.00166   0.00017  -0.00150   3.12281
   D255      -0.03211   0.00003  -0.00344   0.00001  -0.00344  -0.03554
   D256       0.00622   0.00000  -0.00213   0.00016  -0.00197   0.00426
   D257      -3.14131   0.00001  -0.00023  -0.00006  -0.00029   3.14159
   D258      -3.11902  -0.00001   0.00020  -0.00017   0.00003  -3.11899
   D259       0.01663  -0.00000   0.00209  -0.00039   0.00171   0.01834
   D260       0.00210  -0.00000   0.00007  -0.00039  -0.00032   0.00179
   D261       3.10936   0.00000   0.00177  -0.00024   0.00152   3.11089
   D262      -3.12714  -0.00002   0.00156  -0.00026   0.00129  -3.12584
   D263      -0.01988  -0.00001   0.00325  -0.00011   0.00313  -0.01674
   D264      -3.11909  -0.00001  -0.00039   0.00054   0.00016  -3.11893
   D265       0.01685  -0.00001   0.00158   0.00007   0.00164   0.01850
   D266       0.00621   0.00000  -0.00235   0.00037  -0.00197   0.00423
   D267      -3.14104   0.00001  -0.00038  -0.00011  -0.00049  -3.14153
   D268       3.11876   0.00001  -0.00009  -0.00004  -0.00013   3.11863
   D269      -0.01669   0.00004   0.00008   0.00029   0.00037  -0.01631
   D270       0.01929   0.00000  -0.00218  -0.00022  -0.00240   0.01689
   D271      -3.11615   0.00003  -0.00201   0.00011  -0.00190  -3.11806
   D272       0.00183  -0.00000  -0.00030  -0.00024  -0.00053   0.00130
   D273      -3.12751  -0.00001   0.00137   0.00024   0.00161  -3.12589
   D274       3.11047  -0.00001  -0.00096  -0.00111  -0.00207   3.10840
   D275      -0.01886  -0.00002   0.00071  -0.00063   0.00008  -0.01879
   D276       3.11934   0.00001  -0.00083  -0.00057  -0.00140   3.11794
   D277      -0.01499   0.00003   0.00024  -0.00041  -0.00017  -0.01516
   D278       0.01815   0.00002  -0.00001   0.00051   0.00050   0.01865
   D279      -3.11618   0.00004   0.00106   0.00067   0.00173  -3.11445
   D280      -0.00226   0.00000   0.00012   0.00022   0.00035  -0.00192
   D281       3.12625   0.00000  -0.00259  -0.00054  -0.00313   3.12312
   D282       3.12462   0.00002  -0.00186  -0.00035  -0.00221   3.12241
   D283      -0.03005   0.00002  -0.00457  -0.00111  -0.00569  -0.03574
   D284       0.00593   0.00001  -0.00136   0.00039  -0.00096   0.00497
   D285      -3.14151   0.00002   0.00051  -0.00018   0.00033  -3.14118
   D286      -3.11947  -0.00001   0.00083   0.00102   0.00186  -3.11762
   D287       0.01627  -0.00000   0.00269   0.00045   0.00314   0.01942
   D288       0.00189   0.00000   0.00009  -0.00013  -0.00004   0.00185
   D289       3.11204  -0.00002  -0.00195  -0.00090  -0.00285   3.10919
   D290      -3.12881  -0.00000   0.00237   0.00050   0.00287  -3.12594
   D291      -0.01866  -0.00002   0.00032  -0.00026   0.00006  -0.01860
   D292      -3.12137   0.00000   0.00230   0.00064   0.00294  -3.11843
   D293       0.01497   0.00001   0.00280   0.00076   0.00356   0.01854
   D294       0.00584   0.00001  -0.00069  -0.00020  -0.00089   0.00495
   D295      -3.14100   0.00001  -0.00019  -0.00008  -0.00027  -3.14127
   D296       3.12108  -0.00001  -0.00272  -0.00027  -0.00299   3.11809
   D297      -0.01482   0.00002  -0.00025  -0.00070  -0.00094  -0.01576
   D298       0.01805   0.00002  -0.00019   0.00066   0.00047   0.01852
   D299      -3.11785   0.00004   0.00228   0.00023   0.00252  -3.11533
   D300      -0.00179   0.00000   0.00048  -0.00011   0.00037  -0.00142
   D301       3.12779   0.00001  -0.00114  -0.00036  -0.00149   3.12630
   D302      -3.11045   0.00000   0.00068   0.00025   0.00093  -3.10952
   D303       0.01913   0.00002  -0.00093  -0.00000  -0.00093   0.01820
   D304      -3.11973  -0.00001   0.00077   0.00036   0.00113  -3.11861
   D305       0.01570  -0.00003  -0.00104   0.00067  -0.00037   0.01533
   D306      -0.01853  -0.00001   0.00051  -0.00006   0.00044  -0.01809
   D307       3.11690  -0.00003  -0.00130   0.00025  -0.00105   3.11584
   D308       0.00226  -0.00000  -0.00044  -0.00008  -0.00051   0.00175
   D309      -3.12515  -0.00001   0.00190   0.00030   0.00220  -3.12295
   D310      -3.12492  -0.00002   0.00148   0.00023   0.00172  -3.12320
   D311       0.03086  -0.00003   0.00382   0.00061   0.00443   0.03529
   D312      -0.00598  -0.00001   0.00119  -0.00005   0.00114  -0.00483
   D313       3.14112  -0.00001  -0.00020   0.00013  -0.00006   3.14105
   D314       3.11976   0.00001  -0.00093  -0.00038  -0.00131   3.11845
   D315      -0.01633   0.00000  -0.00232  -0.00020  -0.00252  -0.01885
   D316      -0.00192   0.00000   0.00024   0.00023   0.00047  -0.00145
   D317      -3.11055   0.00001   0.00083   0.00050   0.00134  -3.10921
   D318       3.12785   0.00001  -0.00171  -0.00008  -0.00180   3.12605
   D319       0.01922   0.00002  -0.00112   0.00019  -0.00093   0.01829
   D320       3.12004   0.00000  -0.00140  -0.00047  -0.00187   3.11817
   D321      -0.01594   0.00000  -0.00256  -0.00040  -0.00297  -0.01891
   D322      -0.00595  -0.00001   0.00117  -0.00005   0.00112  -0.00483
   D323       3.14125  -0.00001   0.00001   0.00001   0.00002   3.14128
   D324      -3.11980  -0.00000   0.00150   0.00001   0.00151  -3.11829
   D325       0.01529  -0.00003  -0.00006   0.00040   0.00034   0.01563
   D326      -0.01865  -0.00001   0.00076  -0.00031   0.00045  -0.01819
   D327       3.11645  -0.00003  -0.00079   0.00008  -0.00072   3.11573
   D328       0.00715   0.00001   0.00051  -0.00029   0.00021   0.00736
   D329      -3.13961  -0.00000  -0.00036  -0.00024  -0.00060  -3.14021
   D330      -3.12879   0.00000  -0.00146   0.00018  -0.00127  -3.13006
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   D332      -0.00756  -0.00001   0.00054  -0.00005   0.00049  -0.00707
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   D334       3.13918  -0.00000   0.00140  -0.00010   0.00130   3.14048
   D335      -0.00679   0.00002   0.00193   0.00014   0.00207  -0.00472
   D336      -0.00564   0.00001   0.00029   0.00031   0.00060  -0.00504
   D337       3.12983  -0.00001   0.00012  -0.00002   0.00010   3.12993
   D338       3.14031  -0.00001  -0.00023   0.00007  -0.00016   3.14015
   D339      -0.00740  -0.00003  -0.00041  -0.00026  -0.00067  -0.00807
   D340      -0.00573   0.00001   0.00020   0.00032   0.00052  -0.00521
   D341       3.14076  -0.00001  -0.00029   0.00010  -0.00019   3.14057
   D342       3.12867  -0.00001  -0.00058   0.00033  -0.00025   3.12842
   D343      -0.00802  -0.00003  -0.00106   0.00011  -0.00095  -0.00898
   D344      -0.00782  -0.00001   0.00013   0.00025   0.00038  -0.00744
   D345       3.13950  -0.00000   0.00134  -0.00015   0.00118   3.14068
   D346       3.12885   0.00001   0.00062   0.00047   0.00109   3.12994
   D347      -0.00701   0.00002   0.00182   0.00007   0.00189  -0.00512
   D348       0.00744   0.00001   0.00085  -0.00049   0.00036   0.00780
   D349      -3.12821  -0.00000  -0.00105  -0.00027  -0.00132  -3.12953
   D350      -3.13990  -0.00000  -0.00036  -0.00008  -0.00045  -3.14034
   D351       0.00765  -0.00001  -0.00226   0.00013  -0.00213   0.00552
   D352       0.00674   0.00001   0.00094   0.00025   0.00119   0.00793
   D353      -3.13981  -0.00000  -0.00088   0.00051  -0.00036  -3.14017
   D354      -3.12960   0.00001   0.00045   0.00012   0.00057  -3.12903
   D355       0.00704  -0.00000  -0.00137   0.00039  -0.00098   0.00606
   D356      -0.00719  -0.00002  -0.00083   0.00017  -0.00066  -0.00785
   D357       3.13025   0.00000  -0.00038   0.00012  -0.00025   3.13000
   D358       3.13934  -0.00001   0.00099  -0.00010   0.00089   3.14023
   D359      -0.00640   0.00001   0.00144  -0.00014   0.00129  -0.00511
   D360      -0.00519   0.00000   0.00043  -0.00061  -0.00018  -0.00537
   D361       3.13073  -0.00002  -0.00203  -0.00019  -0.00222   3.12852
   D362       3.14053  -0.00001  -0.00002  -0.00056  -0.00058   3.13995
   D363      -0.00673  -0.00004  -0.00248  -0.00014  -0.00262  -0.00935
   D364      -0.00509   0.00000  -0.00003  -0.00016  -0.00020  -0.00529
   D365       3.14147  -0.00001  -0.00060  -0.00027  -0.00087   3.14060
   D366       3.12927  -0.00002  -0.00111  -0.00032  -0.00142   3.12785
   D367      -0.00735  -0.00004  -0.00167  -0.00043  -0.00209  -0.00945
   D368      -0.00740  -0.00002  -0.00063  -0.00006  -0.00070  -0.00810
   D369       3.13976  -0.00001   0.00092  -0.00016   0.00076   3.14051
   D370       3.12921   0.00000  -0.00007   0.00005  -0.00002   3.12918
   D371      -0.00682   0.00001   0.00148  -0.00005   0.00143  -0.00539
   D372       0.00684   0.00001   0.00133  -0.00005   0.00127   0.00812
   D373      -3.12889   0.00001  -0.00053   0.00052  -0.00001  -3.12891
   D374      -3.14033  -0.00000  -0.00023   0.00005  -0.00019  -3.14052
   D375       0.00712  -0.00001  -0.00209   0.00062  -0.00148   0.00564
   D376      -0.00702  -0.00001  -0.00091   0.00005  -0.00086  -0.00788
   D377       3.13993   0.00000   0.00074  -0.00031   0.00043   3.14036
   D378       3.12895  -0.00000   0.00025  -0.00001   0.00023   3.12918
   D379      -0.00728   0.00001   0.00190  -0.00038   0.00152  -0.00576
   D380       0.00744   0.00002   0.00058  -0.00018   0.00039   0.00783
   D381      -3.12955  -0.00000  -0.00003  -0.00030  -0.00033  -3.12988
   D382      -3.13950   0.00001  -0.00107   0.00018  -0.00089  -3.14040
   D383       0.00669  -0.00001  -0.00168   0.00006  -0.00162   0.00508
   D384       0.00539  -0.00001  -0.00048   0.00031  -0.00018   0.00521
   D385      -3.12973   0.00002   0.00107  -0.00008   0.00099  -3.12874
   D386      -3.14079   0.00001   0.00012   0.00042   0.00054  -3.14025
   D387       0.00727   0.00004   0.00168   0.00004   0.00171   0.00898
   D388       0.00537  -0.00001  -0.00036   0.00018  -0.00018   0.00519
   D389      -3.14059   0.00001   0.00007   0.00030   0.00037  -3.14022
   D390      -3.13009   0.00002   0.00145  -0.00013   0.00131  -3.12878
   D391       0.00714   0.00004   0.00188  -0.00001   0.00186   0.00900
   D392       0.00733   0.00002   0.00066  -0.00024   0.00042   0.00775
   D393      -3.13934   0.00001  -0.00114   0.00018  -0.00096  -3.14030
   D394      -3.12988  -0.00000   0.00022  -0.00036  -0.00013  -3.13001
   D395       0.00663  -0.00002  -0.00158   0.00006  -0.00152   0.00512
   D396      -0.00690  -0.00001  -0.00106   0.00016  -0.00090  -0.00780
   D397       3.12919  -0.00000   0.00032  -0.00002   0.00031   3.12950
   D398       3.13979   0.00000   0.00074  -0.00025   0.00049   3.14028
   D399      -0.00731   0.00001   0.00213  -0.00043   0.00170  -0.00562
   D400       1.69863  -0.00003   0.04206   0.03429   0.07634   1.77497
   D401      -0.57132  -0.00010   0.04001   0.03393   0.07387  -0.49744
   D402      -2.80511  -0.00034   0.04424   0.03890   0.08315  -2.72196
   D403      -3.09776   0.00012   0.00076  -0.00179  -0.00095  -3.09871
   D404      -0.92600   0.00001   0.00292  -0.00037   0.00255  -0.92345
   D405       1.31449   0.00016  -0.00170  -0.00720  -0.00899   1.30551
   D406       2.61387   0.00014  -0.02301  -0.02268  -0.04581   2.56806
   D407      -1.55492   0.00014  -0.02533  -0.02543  -0.05088  -1.60580
   D408       0.48480   0.00007  -0.02214  -0.02192  -0.04419   0.44061
   D409       2.98451   0.00004  -0.00121  -0.00259  -0.00380   2.98071
   D410      -1.18968   0.00007  -0.00074  -0.00272  -0.00346  -1.19314
   D411       0.86866   0.00001  -0.00124  -0.00229  -0.00353   0.86514
   D412       3.10629  -0.00002  -0.00346  -0.00112  -0.00463   3.10166
   D413      -1.09156  -0.00003  -0.00326  -0.00116  -0.00446  -1.09602
   D414       1.02164   0.00000  -0.00338  -0.00168  -0.00510   1.01654
   D415       1.05176  -0.00002  -0.00355  -0.00213  -0.00567   1.04609
   D416       3.13709  -0.00003  -0.00335  -0.00216  -0.00550   3.13159
   D417      -1.03289   0.00000  -0.00347  -0.00268  -0.00614  -1.03903
   D418      -1.09160   0.00003  -0.00153   0.00006  -0.00143  -1.09304
   D419       0.99373   0.00002  -0.00133   0.00003  -0.00127   0.99246
   D420       3.10693   0.00006  -0.00145  -0.00049  -0.00190   3.10503
   D421       1.33499   0.00001  -0.03595  -0.03824  -0.07402   1.26097
   D422      -2.88950  -0.00002  -0.03409  -0.03762  -0.07171  -2.96121
   D423      -0.70629   0.00000  -0.03868  -0.04146  -0.08010  -0.78640
   D424      -1.40456   0.00001   0.02933   0.03030   0.05937  -1.34519
   D425       2.80365  -0.00001   0.02641   0.02907   0.05532   2.85897
   D426       0.62074  -0.00001   0.03133   0.03409   0.06520   0.68594
   D427       1.04456   0.00002   0.00299  -0.00050   0.00249   1.04706
   D428       3.13366   0.00002   0.00352  -0.00035   0.00316   3.13683
   D429      -1.06143   0.00002   0.00352  -0.00028   0.00324  -1.05819
   D430      -1.02790  -0.00002   0.00220  -0.00071   0.00148  -1.02642
   D431       1.06120  -0.00001   0.00272  -0.00057   0.00215   1.06336
   D432      -3.13389  -0.00001   0.00273  -0.00050   0.00223  -3.13166
   D433       3.12468  -0.00000   0.00330  -0.00053   0.00278   3.12745
   D434      -1.06941   0.00001   0.00383  -0.00038   0.00345  -1.06596
   D435       1.01869   0.00001   0.00383  -0.00031   0.00352   1.02221
   D436      -1.30949   0.00004   0.03540   0.04009   0.07544  -1.23406
   D437      -1.23598   0.00008   0.03518   0.03833   0.07387  -1.16211
   D438       0.39597   0.00002   0.01654   0.01929   0.03578   0.43175
   D439       1.17538   0.00017   0.01585   0.01596   0.03160   1.20698
   D440       0.97461   0.00001   0.01251   0.01137   0.02417   0.99878
   D441      -0.37838  -0.00002  -0.01658  -0.01872  -0.03535  -0.41373
         Item               Value     Threshold  Converged?
 Maximum Force            0.001951     0.000450     NO 
 RMS     Force            0.000146     0.000300     YES
 Maximum Displacement     1.042890     0.001800     NO 
 RMS     Displacement     0.151780     0.001200     NO 
 Predicted change in Energy=-2.145724D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.798485    2.882096    0.473077
      2          6           0       -2.043467    1.510888    0.618622
      3          6           0       -1.005371    0.571193    0.638205
      4          6           0        0.325582    1.030530    0.554247
      5          6           0        0.578743    2.396824    0.376449
      6          6           0       -0.464093    3.309135    0.331441
      7          6           0       -1.242787   -0.885012    0.629550
      8          6           0       -0.177310   -1.777372    0.909205
      9          6           0        1.130627   -1.216057    1.373476
     10          6           0        1.444491    0.086706    0.699246
     11          6           0       -2.465199   -1.407858    0.192985
     12          6           0       -2.663018   -2.778740   -0.014546
     13          6           0       -1.566894   -3.632654    0.172253
     14          6           0       -0.348547   -3.135915    0.616226
     15          7           0        2.218460   -2.111572    1.524015
     16          6           0        3.525304   -1.693458    1.128660
     17          6           0        3.684676   -0.423305    0.530068
     18          7           0        2.626571    0.445620    0.330968
     19          6           0        4.662388   -2.507187    1.248721
     20          6           0        5.903925   -2.063618    0.811788
     21          6           0        6.081317   -0.797150    0.224561
     22          6           0        4.947455    0.001390    0.090828
     23          6           0       -2.914620    3.856758    0.468413
     24          6           0       -3.976035   -3.296346   -0.469480
     25          6           0        7.413203   -0.336489   -0.235246
     26          6           0       -4.063103   -4.328170   -1.418811
     27          6           0       -5.294829   -4.807687   -1.853427
     28          6           0       -6.482060   -4.277915   -1.331331
     29          6           0       -6.411215   -3.256027   -0.375589
     30          6           0       -5.175229   -2.769187    0.038523
     31          6           0       -2.779154    5.116137    1.077454
     32          6           0       -3.826372    6.031959    1.087017
     33          6           0       -5.042902    5.719571    0.466120
     34          6           0       -5.190084    4.472400   -0.155197
     35          6           0       -4.143328    3.556185   -0.143990
     36          6           0        8.326001   -1.225676   -0.826752
     37          6           0        9.573685   -0.794957   -1.267511
     38          6           0        9.952895    0.544582   -1.112162
     39          6           0        9.056678    1.441805   -0.516638
     40          6           0        7.805120    1.005301   -0.093719
     41          7           0       -6.109891    6.652227    0.465235
     42          7           0       -7.738838   -4.769566   -1.765152
     43          7           0       11.226319    0.986420   -1.551581
     44          6           0       -8.135097   -6.113213   -1.774032
     45          6           0       -9.457136   -6.200002   -2.279727
     46          6           0       -9.877378   -4.849976   -2.592189
     47          6           0       -8.795468   -3.994896   -2.261596
     48          6           0       -7.423422    6.396170    0.880731
     49          6           0       -8.193254    7.577204    0.727665
     50          6           0       -7.307140    8.590843    0.194905
     51          6           0       -6.032396    7.987404    0.047194
     52          6           0       11.468363    2.069070   -2.407359
     53          6           0       12.866372    2.191165   -2.611459
     54          6           0       13.496958    1.137588   -1.844154
     55          6           0       12.457435    0.414636   -1.205377
     56          6           0      -11.049230   -4.305026   -3.129575
     57          6           0      -11.126514   -2.930847   -3.333708
     58          6           0      -10.039910   -2.099235   -3.013599
     59          6           0       -8.862139   -2.615626   -2.478148
     60          6           0       -7.443349   -7.247366   -1.339398
     61          6           0       -8.088540   -8.477999   -1.438317
     62          6           0       -9.392880   -8.583400   -1.950546
     63          6           0      -10.082404   -7.449072   -2.367612
     64          6           0       -7.486288    9.927812   -0.178184
     65          6           0       -6.406889   10.638376   -0.693971
     66          6           0       -5.154085   10.020842   -0.848307
     67          6           0       -4.948727    8.691747   -0.485243
     68          6           0       -7.976201    5.228862    1.415450
     69          6           0       -9.321731    5.253807    1.775152
     70          6           0      -10.102570    6.411144    1.615243
     71          6           0       -9.543118    7.575122    1.097416
     72          6           0       14.829104    0.763208   -1.634269
     73          6           0       15.107456   -0.311309   -0.795233
     74          6           0       14.066391   -1.007512   -0.157842
     75          6           0       12.732209   -0.655602   -0.349152
     76          6           0       10.560471    2.919960   -3.044296
     77          6           0       11.075111    3.912924   -3.874683
     78          6           0       12.458461    4.057211   -4.075756
     79          6           0       13.356864    3.197577   -3.451389
     80          8           0        0.712233   -3.579113    3.307966
     81         15           0        2.058284   -3.385840    2.740311
     82          8           0        3.238811   -3.116592    3.787799
     83          8           0        2.640005   -4.613039    1.872037
     84          6           0        2.985319   -2.471200    5.077319
     85          6           0        3.953624   -3.056426    6.085729
     86          6           0        2.650620   -5.938452    2.480026
     87          6           0        3.019467   -6.939042    1.403347
     88          1           0       -3.065751    1.178444    0.760603
     89          1           0        1.608771    2.723096    0.290964
     90          1           0       -0.250388    4.362221    0.178535
     91          1           0       -3.266832   -0.726939   -0.068201
     92          1           0       -1.670507   -4.696796   -0.012952
     93          1           0        0.480396   -3.822490    0.708921
     94          1           0        4.589663   -3.492249    1.681771
     95          1           0        6.761949   -2.713937    0.950285
     96          1           0        4.993893    0.976139   -0.382393
     97          1           0       -3.155107   -4.732592   -1.855486
     98          1           0       -5.343403   -5.578308   -2.615387
     99          1           0       -7.325911   -2.863460    0.055641
    100          1           0       -5.138309   -1.997683    0.801431
    101          1           0       -1.855058    5.365147    1.589711
    102          1           0       -3.714836    6.983444    1.595891
    103          1           0       -6.117571    4.236050   -0.665692
    104          1           0       -4.266839    2.607758   -0.657646
    105          1           0        8.040306   -2.261512   -0.982556
    106          1           0       10.250095   -1.488651   -1.755472
    107          1           0        9.354639    2.473979   -0.366073
    108          1           0        7.135174    1.709356    0.390057
    109          1           0      -11.885372   -4.948827   -3.387081
    110          1           0      -12.030339   -2.495721   -3.748644
    111          1           0      -10.115523   -1.030226   -3.189387
    112          1           0       -8.025370   -1.967063   -2.244484
    113          1           0       -6.441406   -7.174952   -0.931498
    114          1           0       -7.570483   -9.373404   -1.107707
    115          1           0       -9.866420   -9.558123   -2.014713
    116          1           0      -11.094759   -7.529515   -2.753092
    117          1           0       -8.457661   10.401758   -0.069741
    118          1           0       -6.532496   11.676397   -0.985830
    119          1           0       -4.326069   10.588344   -1.262742
    120          1           0       -3.981290    8.221229   -0.619637
    121          1           0       -7.379507    4.334493    1.554741
    122          1           0       -9.773035    4.358192    2.191819
    123          1           0      -11.148677    6.396250    1.904856
    124          1           0      -10.143752    8.473174    0.984779
    125          1           0       15.634508    1.308556   -2.117872
    126          1           0       16.136516   -0.612285   -0.625189
    127          1           0       14.303879   -1.836706    0.502105
    128          1           0       11.936945   -1.191572    0.156512
    129          1           0        9.490929    2.809681   -2.905181
    130          1           0       10.388763    4.586640   -4.379111
    131          1           0       12.826176    4.842686   -4.728642
    132          1           0       14.425532    3.302080   -3.615664
    133          1           0        3.136241   -1.398501    4.937775
    134          1           0        1.943678   -2.643249    5.356093
    135          1           0        3.814237   -2.562020    7.052399
    136          1           0        3.782019   -4.128276    6.220593
    137          1           0        4.989611   -2.905644    5.769445
    138          1           0        3.381437   -5.937113    3.295650
    139          1           0        1.659000   -6.138266    2.896518
    140          1           0        4.005916   -6.719821    0.985717
    141          1           0        3.041061   -7.946783    1.829674
    142          1           0        2.287812   -6.923036    0.591157
    143         17           0        0.783789   -0.395214    3.304484
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0179653           0.0073838           0.0057776
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13522.5646723515 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.72D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    0.999984    0.003530    0.000461   -0.004298 Ang=   0.64 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.68030427     A.U. after   13 cycles
            NFock= 13  Conv=0.52D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000578278   -0.000167949    0.000008921
      2        6          -0.000148885   -0.000004488    0.000217689
      3        6          -0.000025335    0.000131608   -0.000213013
      4        6          -0.000273679   -0.000007491   -0.000089402
      5        6          -0.000003459    0.000170636    0.000272746
      6        6          -0.000060265   -0.000122855   -0.000119398
      7        6           0.000211335   -0.000024661    0.000042038
      8        6          -0.000222356   -0.000636529   -0.000872217
      9        6          -0.002328652    0.000828910    0.000086517
     10        6           0.000341967    0.000756404   -0.000445233
     11        6          -0.000096508   -0.000160709    0.000120715
     12        6          -0.000518920   -0.000220939   -0.000217428
     13        6           0.000299008    0.000120698   -0.000056331
     14        6          -0.000220699   -0.000135500    0.000131261
     15        7           0.002228049   -0.001056891    0.002357319
     16        6          -0.000545934   -0.000703542   -0.000236328
     17        6          -0.000154155    0.000341027   -0.000302333
     18        7           0.000069482   -0.000160609   -0.000092042
     19        6           0.000288924    0.000149671    0.000153135
     20        6          -0.000152931   -0.000061094   -0.000028854
     21        6           0.000088847    0.000109888   -0.000080741
     22        6           0.000088706    0.000028830    0.000137667
     23        6          -0.000573699    0.000293578   -0.000004838
     24        6           0.000318235    0.000280097    0.000211330
     25        6           0.000010150    0.000005987    0.000037663
     26        6          -0.000017543   -0.000238875   -0.000146218
     27        6           0.000142533    0.000111286   -0.000078040
     28        6           0.000172473    0.000201475    0.000137796
     29        6           0.000043631   -0.000036629    0.000046388
     30        6          -0.000097030    0.000011631   -0.000016044
     31        6           0.000076976   -0.000081543    0.000063282
     32        6          -0.000091468   -0.000086935    0.000151869
     33        6           0.000580134   -0.000278103   -0.000037741
     34        6          -0.000027300    0.000134148   -0.000126339
     35        6           0.000122417    0.000018718   -0.000064479
     36        6           0.000090767   -0.000025618    0.000020722
     37        6          -0.000082337   -0.000005645   -0.000183516
     38        6          -0.000472807   -0.000293684    0.000177387
     39        6           0.000117703   -0.000036433    0.000169446
     40        6          -0.000056703    0.000062120   -0.000043518
     41        7          -0.000237532    0.000110792    0.000032247
     42        7           0.000025639    0.000091004    0.000040598
     43        7           0.000187540    0.000128714   -0.000098554
     44        6          -0.000137306   -0.000355807    0.000016520
     45        6          -0.000083686    0.000057445    0.000293731
     46        6           0.000185997    0.000038320   -0.000258574
     47        6          -0.000274665    0.000001234   -0.000200710
     48        6          -0.000248326    0.000007310    0.000267913
     49        6           0.000112681    0.000091776    0.000264204
     50        6           0.000002737   -0.000145866   -0.000238043
     51        6          -0.000172653    0.000161923   -0.000285971
     52        6           0.000121207    0.000060385   -0.000318361
     53        6           0.000035697   -0.000227129   -0.000192048
     54        6          -0.000120127    0.000168837    0.000232456
     55        6           0.000228590    0.000195796    0.000217701
     56        6          -0.000007894   -0.000085000    0.000175632
     57        6           0.000095206    0.000159849    0.000017081
     58        6          -0.000146103   -0.000089312   -0.000076488
     59        6           0.000081231   -0.000032467    0.000077250
     60        6           0.000027574    0.000100225   -0.000002318
     61        6          -0.000129453   -0.000130363   -0.000052967
     62        6           0.000150177    0.000032897    0.000108269
     63        6           0.000031201    0.000072019   -0.000171615
     64        6          -0.000004920   -0.000000860    0.000152637
     65        6           0.000166407   -0.000025987   -0.000059662
     66        6          -0.000147554    0.000100904   -0.000005551
     67        6           0.000062452   -0.000117794    0.000042165
     68        6           0.000125903    0.000047070   -0.000076343
     69        6          -0.000173925    0.000054385    0.000011472
     70        6           0.000126260   -0.000116518    0.000061563
     71        6           0.000001036    0.000012444   -0.000181284
     72        6          -0.000012407   -0.000057331   -0.000159342
     73        6          -0.000085743   -0.000111539    0.000116193
     74        6           0.000154149    0.000073787   -0.000034802
     75        6          -0.000125792   -0.000016777   -0.000059366
     76        6          -0.000029958   -0.000095637    0.000083864
     77        6           0.000116198    0.000116967   -0.000062734
     78        6          -0.000162740   -0.000073467   -0.000028957
     79        6           0.000006478    0.000057177    0.000163874
     80        8          -0.000314908    0.000067208    0.000116901
     81       15           0.000520256    0.000473115   -0.001714535
     82        8           0.000523455   -0.001051460    0.000357337
     83        8          -0.000016824   -0.000040550    0.000361391
     84        6           0.000269312    0.000342215    0.000376120
     85        6           0.000022750    0.000029219   -0.000135228
     86        6           0.000001702    0.000064470   -0.000183641
     87        6          -0.000007562    0.000026751    0.000015855
     88        1           0.000086285    0.000029407   -0.000231641
     89        1           0.000040975   -0.000002943   -0.000077477
     90        1           0.000009070   -0.000011280    0.000147830
     91        1          -0.000000862   -0.000017288    0.000048845
     92        1          -0.000040554   -0.000001844    0.000042379
     93        1           0.000142419    0.000037747   -0.000033269
     94        1           0.000038081    0.000037050   -0.000076855
     95        1          -0.000013380   -0.000046875   -0.000046626
     96        1          -0.000047018    0.000011686    0.000023184
     97        1           0.000012035    0.000006767    0.000139098
     98        1          -0.000085775   -0.000002783    0.000019897
     99        1          -0.000006544   -0.000053401   -0.000035346
    100        1           0.000062205    0.000135218   -0.000063405
    101        1           0.000010665    0.000025687   -0.000079282
    102        1          -0.000081175   -0.000034292   -0.000006963
    103        1          -0.000048732    0.000061213    0.000011289
    104        1          -0.000015980   -0.000039308    0.000107412
    105        1          -0.000001683    0.000005163    0.000072461
    106        1           0.000041204    0.000083484    0.000020273
    107        1           0.000070274   -0.000013214   -0.000040362
    108        1          -0.000054539   -0.000030559   -0.000065826
    109        1          -0.000007190    0.000012207   -0.000036472
    110        1          -0.000028125   -0.000015168    0.000019796
    111        1          -0.000001290    0.000009621    0.000004022
    112        1           0.000045490   -0.000015022   -0.000050782
    113        1          -0.000039158    0.000016777    0.000011187
    114        1           0.000006653   -0.000008292   -0.000000902
    115        1          -0.000002580   -0.000010996   -0.000032555
    116        1          -0.000010698   -0.000026934    0.000028650
    117        1          -0.000005876    0.000020796   -0.000030083
    118        1          -0.000015130    0.000018307    0.000026653
    119        1          -0.000001098    0.000013493   -0.000001856
    120        1          -0.000014708   -0.000036788    0.000004575
    121        1           0.000047175    0.000042966    0.000001933
    122        1          -0.000008401   -0.000010660   -0.000000785
    123        1          -0.000024097   -0.000002328   -0.000029311
    124        1          -0.000013955   -0.000002251    0.000041832
    125        1           0.000018509    0.000012339    0.000032043
    126        1           0.000021304   -0.000006697   -0.000028205
    127        1           0.000011463   -0.000006182    0.000002856
    128        1          -0.000057048    0.000010837   -0.000013464
    129        1           0.000024016   -0.000037272    0.000021036
    130        1          -0.000002119    0.000015660   -0.000003947
    131        1           0.000010866    0.000030683    0.000018200
    132        1           0.000000703    0.000004928   -0.000046163
    133        1          -0.000213693   -0.000136875   -0.000120245
    134        1           0.000075032    0.000152183   -0.000172788
    135        1           0.000002578    0.000005445    0.000007866
    136        1          -0.000000935   -0.000005085   -0.000006620
    137        1          -0.000007245    0.000015462   -0.000002182
    138        1          -0.000037962   -0.000016213    0.000039378
    139        1          -0.000018996    0.000016233    0.000014386
    140        1           0.000002159    0.000011466   -0.000002390
    141        1           0.000006789   -0.000012229    0.000002337
    142        1           0.000004399   -0.000004782   -0.000008713
    143       17          -0.000324510    0.000384372    0.000339381
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002357319 RMS     0.000277176

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.002078527 RMS     0.000129845
 Search for a local minimum.
 Step number  18 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   17   18
 DE= -4.78D-04 DEPred=-2.15D-04 R= 2.23D+00
 TightC=F SS=  1.41D+00  RLast= 6.02D-01 DXNew= 4.0363D+00 1.8070D+00
 Trust test= 2.23D+00 RLast= 6.02D-01 DXMaxT set to 2.40D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00171   0.00417   0.00420   0.00776   0.00900
     Eigenvalues ---    0.01402   0.01613   0.01721   0.02123   0.02559
     Eigenvalues ---    0.02599   0.02607   0.02669   0.02702   0.02708
     Eigenvalues ---    0.02712   0.02713   0.02721   0.02725   0.02728
     Eigenvalues ---    0.02729   0.02735   0.02743   0.02752   0.02764
     Eigenvalues ---    0.02770   0.02770   0.02774   0.02775   0.02779
     Eigenvalues ---    0.02784   0.02785   0.02786   0.02787   0.02789
     Eigenvalues ---    0.02791   0.02791   0.02792   0.02792   0.02792
     Eigenvalues ---    0.02793   0.02794   0.02796   0.02800   0.02802
     Eigenvalues ---    0.02802   0.02803   0.02805   0.02806   0.02807
     Eigenvalues ---    0.02808   0.02808   0.02808   0.02809   0.02811
     Eigenvalues ---    0.02812   0.02816   0.02817   0.02817   0.02818
     Eigenvalues ---    0.02818   0.02818   0.02819   0.02820   0.02827
     Eigenvalues ---    0.02831   0.02837   0.02842   0.02844   0.02845
     Eigenvalues ---    0.02845   0.02846   0.02847   0.02851   0.02852
     Eigenvalues ---    0.02856   0.02858   0.02866   0.02868   0.02868
     Eigenvalues ---    0.02869   0.02872   0.02872   0.02873   0.02876
     Eigenvalues ---    0.02877   0.02878   0.02878   0.02879   0.02879
     Eigenvalues ---    0.02884   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02886   0.02886   0.02887   0.02889
     Eigenvalues ---    0.02892   0.02894   0.02896   0.02897   0.02898
     Eigenvalues ---    0.02899   0.02900   0.02900   0.02903   0.02909
     Eigenvalues ---    0.02910   0.02917   0.02933   0.02943   0.02944
     Eigenvalues ---    0.02950   0.03022   0.03024   0.03024   0.03035
     Eigenvalues ---    0.03133   0.03133   0.03134   0.03144   0.03148
     Eigenvalues ---    0.03167   0.03206   0.03334   0.03447   0.03580
     Eigenvalues ---    0.04078   0.04655   0.04871   0.05376   0.05539
     Eigenvalues ---    0.05578   0.05585   0.05624   0.05728   0.05749
     Eigenvalues ---    0.07345   0.09071   0.09406   0.10535   0.11241
     Eigenvalues ---    0.11426   0.11890   0.12865   0.13660   0.15187
     Eigenvalues ---    0.15579   0.15757   0.15929   0.15971   0.15983
     Eigenvalues ---    0.15985   0.15985   0.15986   0.15987   0.15990
     Eigenvalues ---    0.15993   0.15995   0.15996   0.15996   0.15996
     Eigenvalues ---    0.15996   0.15997   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16001
     Eigenvalues ---    0.16006   0.16010   0.16023   0.16039   0.16109
     Eigenvalues ---    0.16168   0.16684   0.17370   0.18734   0.20266
     Eigenvalues ---    0.20856   0.21993   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22000   0.22001   0.22002
     Eigenvalues ---    0.22014   0.22384   0.22430   0.22494   0.22600
     Eigenvalues ---    0.22600   0.22601   0.22602   0.22602   0.22696
     Eigenvalues ---    0.22961   0.22966   0.22978   0.23195   0.23312
     Eigenvalues ---    0.23471   0.23537   0.23733   0.23999   0.24008
     Eigenvalues ---    0.24176   0.24441   0.24483   0.24484   0.24486
     Eigenvalues ---    0.24526   0.24530   0.24729   0.24911   0.24977
     Eigenvalues ---    0.24979   0.24980   0.24980   0.24980   0.24982
     Eigenvalues ---    0.24988   0.24997   0.24998   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25001   0.25005   0.25018
     Eigenvalues ---    0.25059   0.25227   0.25404   0.26384   0.27848
     Eigenvalues ---    0.28295   0.29032   0.29764   0.29787   0.30325
     Eigenvalues ---    0.32015   0.32098   0.32128   0.32140   0.32147
     Eigenvalues ---    0.32150   0.32177   0.32217   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33293   0.33316
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33459   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33584   0.33586   0.33595   0.33632   0.33636
     Eigenvalues ---    0.33638   0.33643   0.33644   0.33662   0.33698
     Eigenvalues ---    0.33721   0.33739   0.33820   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33897   0.33920   0.33941
     Eigenvalues ---    0.33947   0.33954   0.33959   0.34355   0.34424
     Eigenvalues ---    0.34828   0.34919   0.35006   0.37085   0.41602
     Eigenvalues ---    0.41647   0.43012   0.44428   0.44436   0.44439
     Eigenvalues ---    0.44489   0.45654   0.46527   0.48518   0.48759
     Eigenvalues ---    0.48968   0.48974   0.49269   0.49516   0.49792
     Eigenvalues ---    0.49810   0.49833   0.49848   0.49939   0.49986
     Eigenvalues ---    0.50055   0.50142   0.50248   0.50406   0.50410
     Eigenvalues ---    0.50609   0.50611   0.50614   0.51207   0.51422
     Eigenvalues ---    0.52098   0.52355   0.52507   0.52822   0.53365
     Eigenvalues ---    0.54094   0.54112   0.54200   0.54201   0.54207
     Eigenvalues ---    0.54334   0.54497   0.54961   0.55129   0.55289
     Eigenvalues ---    0.55321   0.55346   0.55357   0.55390   0.55413
     Eigenvalues ---    0.55469   0.55498   0.55526   0.55593   0.55651
     Eigenvalues ---    0.55705   0.55707   0.55761   0.55905   0.55939
     Eigenvalues ---    0.55948   0.56147   0.56152   0.56153   0.56245
     Eigenvalues ---    0.56270   0.56308   0.56373   0.56662   0.56664
     Eigenvalues ---    0.56667   0.56670   0.56672   0.56682   0.56832
     Eigenvalues ---    0.56901   0.56915   0.56966   0.57121   0.57174
     Eigenvalues ---    0.57178   0.57190   0.57195   0.57209   0.57618
     Eigenvalues ---    0.61709   0.62638   0.66056   0.66062   0.67645
     Eigenvalues ---    0.67657   0.67661   0.69120   0.70038   0.70089
     Eigenvalues ---    0.73206   0.75893   0.80050
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    18   17   16   15   14   13   12   11   10    9
 RFO step:  Lambda=-2.29589049D-04.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 RFO-DIIS uses    8 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    0.80399   -0.62728   -0.72355    3.00000   -1.54679
                  RFO-DIIS coefs:   -0.24473    0.37092   -0.03256    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.07703001 RMS(Int)=  0.00107302
 Iteration  2 RMS(Cart)=  0.00213602 RMS(Int)=  0.00076119
 Iteration  3 RMS(Cart)=  0.00000200 RMS(Int)=  0.00076119
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00076119
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64657   0.00003  -0.00180   0.00147  -0.00039   2.64618
    R2        2.66111  -0.00009   0.00014  -0.00024  -0.00029   2.66082
    R3        2.80020   0.00053   0.00247  -0.00103   0.00144   2.80164
    R4        2.64633   0.00007   0.00192  -0.00103   0.00101   2.64733
    R5        2.04906  -0.00011  -0.00070  -0.00015  -0.00085   2.04822
    R6        2.66543   0.00007  -0.00062   0.00025   0.00076   2.66619
    R7        2.78821   0.00031  -0.00404   0.00293  -0.00036   2.78785
    R8        2.64728   0.00005   0.00081  -0.00070   0.00017   2.64744
    R9        2.77975   0.00015  -0.00246   0.00095  -0.00135   2.77840
   R10        2.61974  -0.00008  -0.00162   0.00075  -0.00099   2.61875
   R11        2.04817   0.00003  -0.00047   0.00040  -0.00007   2.04810
   R12        2.05106  -0.00002  -0.00013  -0.00000  -0.00014   2.05093
   R13        2.67899   0.00002   0.00542  -0.00258   0.00269   2.68167
   R14        2.64443   0.00012   0.00072  -0.00011   0.00066   2.64510
   R15        2.82912   0.00070  -0.03110   0.01967  -0.01226   2.81685
   R16        2.64616  -0.00004   0.00675  -0.00361   0.00308   2.64924
   R17        2.83477   0.00057  -0.02629   0.01773  -0.01088   2.82389
   R18        2.67781   0.00208  -0.02342   0.02034  -0.00319   2.67462
   R19        4.01889   0.00016   0.34447  -0.16819   0.17635   4.19524
   R20        2.43603  -0.00012   0.00973  -0.00567   0.00389   2.43992
   R21        2.64664  -0.00001  -0.00074   0.00061  -0.00005   2.64660
   R22        2.04796  -0.00002  -0.00059  -0.00010  -0.00069   2.04727
   R23        2.64936   0.00018   0.00360  -0.00113   0.00248   2.65184
   R24        2.80221  -0.00042  -0.00302   0.00039  -0.00263   2.79958
   R25        2.62409  -0.00010  -0.00533   0.00229  -0.00310   2.62099
   R26        2.05053  -0.00002  -0.00009  -0.00028  -0.00037   2.05016
   R27        2.04154   0.00011   0.00065  -0.00035   0.00030   2.04184
   R28        2.69838  -0.00019  -0.00616   0.00314  -0.00283   2.69556
   R29        3.34262  -0.00080   0.02049  -0.01539   0.00501   3.34763
   R30        5.40284   0.00042   0.20746  -0.10390   0.10517   5.50801
   R31        2.67047   0.00061   0.00402  -0.00195   0.00372   2.67419
   R32        2.65204   0.00020   0.00213  -0.00119   0.00094   2.65297
   R33        2.61456   0.00000  -0.00995   0.00597  -0.00259   2.61198
   R34        2.65095   0.00005   0.00370  -0.00250   0.00127   2.65222
   R35        2.62466  -0.00006  -0.00291   0.00157  -0.00142   2.62324
   R36        2.03807  -0.00005   0.00012  -0.00002   0.00011   2.03818
   R37        2.65924   0.00003   0.00396  -0.00194   0.00195   2.66119
   R38        2.05129  -0.00000  -0.00021   0.00000  -0.00021   2.05108
   R39        2.63289  -0.00004  -0.00252   0.00187  -0.00064   2.63225
   R40        2.80136  -0.00000   0.00029  -0.00059  -0.00030   2.80106
   R41        2.04949   0.00001  -0.00034   0.00016  -0.00018   2.04931
   R42        2.65593  -0.00005  -0.00018   0.00023   0.00005   2.65598
   R43        2.65579  -0.00004  -0.00012   0.00023   0.00011   2.65591
   R44        2.65469   0.00012   0.00094   0.00024   0.00119   2.65588
   R45        2.65507  -0.00001   0.00099  -0.00019   0.00080   2.65587
   R46        2.65487   0.00005   0.00021   0.00027   0.00048   2.65535
   R47        2.65507   0.00002   0.00030   0.00018   0.00049   2.65555
   R48        2.62935  -0.00005  -0.00065   0.00013  -0.00053   2.62883
   R49        2.05164  -0.00004  -0.00006  -0.00039  -0.00045   2.05119
   R50        2.64748   0.00005   0.00001  -0.00010  -0.00009   2.64738
   R51        2.04998  -0.00003   0.00006  -0.00016  -0.00010   2.04988
   R52        2.64745  -0.00004  -0.00015  -0.00014  -0.00030   2.64715
   R53        2.67876   0.00030   0.00045   0.00021   0.00066   2.67942
   R54        2.62948  -0.00001  -0.00047  -0.00002  -0.00049   2.62899
   R55        2.04993  -0.00001  -0.00001  -0.00004  -0.00005   2.04988
   R56        2.05156   0.00003  -0.00022   0.00013  -0.00009   2.05147
   R57        2.62902   0.00003   0.00024  -0.00017   0.00008   2.62910
   R58        2.05135  -0.00002  -0.00021   0.00008  -0.00014   2.05121
   R59        2.64767  -0.00011  -0.00104   0.00027  -0.00077   2.64690
   R60        2.04991  -0.00002   0.00020  -0.00020   0.00000   2.04991
   R61        2.64773  -0.00011  -0.00096   0.00024  -0.00072   2.64701
   R62        2.67803   0.00048   0.00287  -0.00087   0.00200   2.68002
   R63        2.62887   0.00006   0.00038  -0.00025   0.00014   2.62901
   R64        2.04989   0.00001   0.00020  -0.00009   0.00010   2.04999
   R65        2.05156  -0.00003  -0.00018   0.00006  -0.00012   2.05144
   R66        2.62971  -0.00002  -0.00016  -0.00002  -0.00018   2.62953
   R67        2.05177  -0.00002  -0.00015  -0.00007  -0.00022   2.05155
   R68        2.64717  -0.00008  -0.00055  -0.00007  -0.00062   2.64654
   R69        2.05003  -0.00001   0.00012  -0.00012   0.00000   2.05003
   R70        2.64755  -0.00009  -0.00064   0.00005  -0.00059   2.64696
   R71        2.67910   0.00045   0.00150  -0.00005   0.00145   2.68055
   R72        2.62923   0.00003   0.00001  -0.00014  -0.00012   2.62911
   R73        2.05001  -0.00002   0.00010  -0.00014  -0.00004   2.04997
   R74        2.05152  -0.00000  -0.00021   0.00006  -0.00015   2.05137
   R75        2.64802   0.00007  -0.00009  -0.00006  -0.00015   2.64787
   R76        2.64795   0.00010  -0.00019   0.00003  -0.00016   2.64779
   R77        2.64730   0.00025   0.00131  -0.00061   0.00070   2.64800
   R78        2.64766   0.00018   0.00123  -0.00074   0.00049   2.64815
   R79        2.64769   0.00007   0.00052  -0.00052   0.00000   2.64769
   R80        2.64726   0.00005   0.00059  -0.00059   0.00000   2.64727
   R81        2.67985  -0.00007  -0.00061   0.00028  -0.00033   2.67952
   R82        2.64138  -0.00004  -0.00060   0.00019  -0.00042   2.64096
   R83        2.73639  -0.00002   0.00028  -0.00005   0.00023   2.73662
   R84        2.64485  -0.00000  -0.00027   0.00008  -0.00019   2.64466
   R85        2.67980  -0.00007  -0.00055   0.00022  -0.00033   2.67948
   R86        2.64494  -0.00003  -0.00029   0.00003  -0.00026   2.64468
   R87        2.64138  -0.00006  -0.00052   0.00006  -0.00046   2.64092
   R88        2.67976  -0.00007  -0.00021  -0.00000  -0.00021   2.67954
   R89        2.64163  -0.00011  -0.00064   0.00003  -0.00061   2.64102
   R90        2.73619   0.00001   0.00033  -0.00001   0.00032   2.73651
   R91        2.64484  -0.00000  -0.00014   0.00001  -0.00013   2.64471
   R92        2.67977  -0.00006  -0.00026   0.00012  -0.00014   2.67962
   R93        2.64479   0.00001  -0.00014   0.00003  -0.00012   2.64467
   R94        2.64152  -0.00007  -0.00067   0.00018  -0.00049   2.64103
   R95        2.67981  -0.00004  -0.00045   0.00026  -0.00019   2.67962
   R96        2.64154  -0.00007  -0.00067   0.00016  -0.00051   2.64103
   R97        2.73614   0.00002   0.00038  -0.00002   0.00036   2.73650
   R98        2.64489   0.00002  -0.00021   0.00008  -0.00013   2.64476
   R99        2.68002  -0.00007  -0.00046   0.00018  -0.00028   2.67974
   R100       2.64482   0.00001  -0.00019   0.00007  -0.00012   2.64470
   R101       2.64159  -0.00008  -0.00069   0.00014  -0.00055   2.64104
   R102       2.62938   0.00006   0.00031  -0.00003   0.00028   2.62965
   R103       2.05270   0.00001   0.00001   0.00000   0.00001   2.05271
   R104       2.65556  -0.00013  -0.00064   0.00019  -0.00045   2.65511
   R105       2.05138   0.00002   0.00000   0.00001   0.00001   2.05139
   R106       2.63243   0.00007   0.00050  -0.00014   0.00036   2.63279
   R107       2.05225   0.00001   0.00003  -0.00002   0.00002   2.05226
   R108       2.04878   0.00000   0.00007  -0.00000   0.00007   2.04884
   R109       2.63243   0.00008   0.00051  -0.00014   0.00037   2.63281
   R110       2.04886  -0.00002   0.00012  -0.00017  -0.00005   2.04882
   R111       2.65558  -0.00014  -0.00062   0.00015  -0.00047   2.65511
   R112       2.05228   0.00001   0.00004  -0.00002   0.00002   2.05230
   R113       2.62943   0.00006   0.00031  -0.00006   0.00025   2.62968
   R114       2.05141   0.00002  -0.00000   0.00001   0.00001   2.05142
   R115       2.05271   0.00001   0.00002  -0.00001   0.00001   2.05271
   R116       2.62940   0.00006   0.00038  -0.00009   0.00029   2.62969
   R117       2.05272   0.00001   0.00006  -0.00003   0.00003   2.05275
   R118       2.65551  -0.00011  -0.00038   0.00005  -0.00033   2.65518
   R119       2.05142   0.00002   0.00003  -0.00000   0.00003   2.05144
   R120       2.63241   0.00008   0.00041  -0.00007   0.00034   2.63275
   R121       2.05227   0.00001   0.00008  -0.00004   0.00004   2.05231
   R122       2.04875  -0.00001   0.00027  -0.00019   0.00009   2.04883
   R123       2.63240   0.00008   0.00042  -0.00009   0.00034   2.63273
   R124       2.04871   0.00001   0.00021  -0.00006   0.00015   2.04886
   R125       2.65553  -0.00011  -0.00037   0.00007  -0.00030   2.65522
   R126       2.05226   0.00001   0.00008  -0.00004   0.00004   2.05230
   R127       2.62935   0.00007   0.00036  -0.00004   0.00032   2.62967
   R128       2.05141   0.00002   0.00003  -0.00001   0.00003   2.05143
   R129       2.05272   0.00001   0.00006  -0.00003   0.00003   2.05275
   R130       2.62940   0.00008   0.00036  -0.00004   0.00033   2.62973
   R131       2.05273   0.00001   0.00002  -0.00001   0.00002   2.05274
   R132       2.65557  -0.00010  -0.00050   0.00016  -0.00035   2.65523
   R133       2.05143   0.00002   0.00000   0.00001   0.00002   2.05145
   R134       2.63241   0.00008   0.00047  -0.00013   0.00035   2.63276
   R135       2.05233   0.00001   0.00005  -0.00002   0.00003   2.05236
   R136       2.04877   0.00002   0.00021  -0.00004   0.00017   2.04894
   R137       2.63234   0.00008   0.00050  -0.00014   0.00036   2.63270
   R138       2.04879  -0.00001   0.00022  -0.00012   0.00010   2.04889
   R139       2.65566  -0.00011  -0.00051   0.00014  -0.00037   2.65529
   R140       2.05226   0.00001   0.00005  -0.00002   0.00003   2.05229
   R141       2.62932   0.00007   0.00038  -0.00007   0.00031   2.62964
   R142       2.05141   0.00002   0.00000   0.00002   0.00002   2.05144
   R143       2.05273   0.00001   0.00002  -0.00000   0.00002   2.05275
   R144       2.78466   0.00028  -0.00216   0.00164  -0.00052   2.78414
   R145       3.02555   0.00017  -0.00612   0.00415  -0.00096   3.02459
   R146       3.04610  -0.00020  -0.00018  -0.00053  -0.00071   3.04540
   R147       2.76679   0.00013   0.00922  -0.00494   0.00271   2.76950
   R148       2.75569  -0.00013   0.00179  -0.00163   0.00016   2.75585
   R149       2.86404  -0.00009  -0.00233   0.00091  -0.00142   2.86262
   R150       2.06399   0.00005  -0.00169   0.00142  -0.00084   2.06314
   R151       2.06347  -0.00008  -0.00115   0.00058  -0.00071   2.06276
   R152       2.06864   0.00001  -0.00011   0.00005  -0.00007   2.06857
   R153       2.06707   0.00000  -0.00011   0.00008  -0.00003   2.06704
   R154       2.06667   0.00000   0.00013  -0.00010   0.00003   2.06671
   R155       2.86371  -0.00001  -0.00045   0.00030  -0.00014   2.86357
   R156       2.06952   0.00000  -0.00015   0.00007  -0.00007   2.06945
   R157       2.06724   0.00001  -0.00002   0.00001  -0.00001   2.06723
   R158       2.06625   0.00001  -0.00004   0.00004  -0.00000   2.06625
   R159       2.06816   0.00001  -0.00008   0.00005  -0.00003   2.06813
   R160       2.06597   0.00000   0.00009  -0.00006   0.00004   2.06601
   R161       5.73439   0.00028  -0.11988   0.06773  -0.05467   5.67973
   R162       6.15485   0.00013  -0.15757   0.08782  -0.06897   6.08588
    A1        2.06362   0.00005   0.00088  -0.00071   0.00021   2.06384
    A2        2.10897   0.00004  -0.00017   0.00047   0.00028   2.10924
    A3        2.11060  -0.00008  -0.00071   0.00024  -0.00049   2.11010
    A4        2.12795  -0.00002  -0.00075   0.00057   0.00018   2.12814
    A5        2.06997   0.00003  -0.00093   0.00069  -0.00044   2.06954
    A6        2.08441  -0.00001   0.00180  -0.00133   0.00029   2.08470
    A7        2.07161  -0.00009  -0.00033  -0.00033  -0.00114   2.07047
    A8        2.14469   0.00003  -0.00215   0.00286  -0.00068   2.14402
    A9        2.06337   0.00007   0.00321  -0.00258   0.00257   2.06594
   A10        2.08944   0.00008   0.00084   0.00026   0.00097   2.09041
   A11        2.09780   0.00002   0.00094  -0.00134   0.00056   2.09836
   A12        2.09536  -0.00010  -0.00182   0.00107  -0.00160   2.09376
   A13        2.10600  -0.00006  -0.00087   0.00003  -0.00059   2.10541
   A14        2.06616   0.00001  -0.00076   0.00091   0.00004   2.06620
   A15        2.11090   0.00005   0.00158  -0.00092   0.00054   2.11144
   A16        2.10596   0.00005   0.00052   0.00005   0.00055   2.10651
   A17        2.08860  -0.00002  -0.00116   0.00095  -0.00020   2.08840
   A18        2.08860  -0.00003   0.00066  -0.00100  -0.00033   2.08827
   A19        2.09342   0.00009   0.00323  -0.00161   0.00219   2.09561
   A20        2.10731   0.00000   0.00066   0.00004   0.00060   2.10791
   A21        2.07475  -0.00009  -0.00215   0.00101  -0.00149   2.07326
   A22        2.07348  -0.00015   0.00320  -0.00209   0.00027   2.07375
   A23        2.06862   0.00010  -0.00142   0.00052  -0.00050   2.06812
   A24        2.13587   0.00006  -0.00285   0.00241   0.00000   2.13587
   A25        1.94875  -0.00009   0.03605  -0.02353   0.01965   1.96840
   A26        2.05633   0.00004   0.02768  -0.01795   0.01680   2.07313
   A27        1.85856   0.00053  -0.01984   0.01741  -0.00549   1.85307
   A28        2.02190  -0.00003   0.01566  -0.01303   0.00994   2.03184
   A29        1.67803   0.00021  -0.07846   0.04347  -0.03752   1.64051
   A30        2.02904  -0.00009   0.01203  -0.00808   0.00462   2.03366
   A31        2.08369   0.00020  -0.00304   0.00141   0.00026   2.08395
   A32        2.16767  -0.00012  -0.00797   0.00587  -0.00407   2.16360
   A33        2.13569   0.00003   0.00195   0.00005   0.00210   2.13779
   A34        2.07898  -0.00001  -0.00116  -0.00067  -0.00189   2.07709
   A35        2.06555  -0.00001  -0.00052   0.00054  -0.00001   2.06553
   A36        2.05557  -0.00005   0.00039  -0.00170  -0.00126   2.05431
   A37        2.10853  -0.00004   0.00078  -0.00037   0.00038   2.10891
   A38        2.11830   0.00008  -0.00122   0.00219   0.00094   2.11925
   A39        2.10679   0.00003  -0.00031   0.00108   0.00069   2.10748
   A40        2.09430  -0.00004  -0.00113   0.00129   0.00020   2.09450
   A41        2.08193   0.00001   0.00146  -0.00241  -0.00091   2.08102
   A42        2.11911  -0.00002   0.00139  -0.00048   0.00079   2.11990
   A43        2.09994  -0.00006  -0.00367   0.00195  -0.00163   2.09830
   A44        2.06385   0.00008   0.00196  -0.00132   0.00073   2.06457
   A45        2.08074  -0.00036  -0.00310   0.00136  -0.00384   2.07690
   A46        2.04744   0.00035   0.01500  -0.00618   0.01102   2.05846
   A47        2.07625   0.00014  -0.00166   0.00221   0.00142   2.07767
   A48        2.04417  -0.00023  -0.03877   0.02127  -0.01666   2.02750
   A49        1.52960   0.00038   0.00240   0.00079   0.00356   1.53316
   A50        2.07565   0.00004  -0.00381   0.00265  -0.00069   2.07496
   A51        2.15085   0.00021   0.00073  -0.00025   0.00007   2.15091
   A52        2.05558  -0.00025   0.00297  -0.00227   0.00065   2.05623
   A53        2.14027   0.00027  -0.00040   0.00006   0.00125   2.14152
   A54        2.10164  -0.00000  -0.00275   0.00199  -0.00129   2.10034
   A55        2.04118  -0.00027   0.00321  -0.00207   0.00008   2.04126
   A56        2.07751   0.00020  -0.00143   0.00079  -0.00054   2.07697
   A57        2.10851   0.00009  -0.00248   0.00146  -0.00089   2.10762
   A58        2.10517   0.00001  -0.00064   0.00053  -0.00017   2.10501
   A59        2.06950  -0.00010   0.00308  -0.00198   0.00105   2.07055
   A60        2.13103   0.00013   0.00107   0.00014   0.00127   2.13230
   A61        2.06588  -0.00010   0.00051  -0.00165  -0.00117   2.06471
   A62        2.08608  -0.00004  -0.00151   0.00145  -0.00008   2.08600
   A63        2.04124  -0.00007   0.00165  -0.00197  -0.00019   2.04105
   A64        2.12042   0.00005  -0.00200   0.00200  -0.00007   2.12035
   A65        2.12152   0.00002   0.00035  -0.00002   0.00026   2.12178
   A66        2.12822   0.00010  -0.00051   0.00069   0.00045   2.12867
   A67        2.03450  -0.00010  -0.00067  -0.00068  -0.00149   2.03301
   A68        2.12017  -0.00000   0.00119  -0.00003   0.00102   2.12119
   A69        2.11230  -0.00006  -0.00106   0.00060  -0.00046   2.11184
   A70        2.11675   0.00001  -0.00060   0.00047  -0.00013   2.11662
   A71        2.05414   0.00005   0.00165  -0.00106   0.00059   2.05473
   A72        2.11599   0.00008  -0.00058   0.00174   0.00116   2.11715
   A73        2.11048  -0.00012   0.00019  -0.00045  -0.00026   2.11022
   A74        2.05672   0.00004   0.00039  -0.00129  -0.00090   2.05582
   A75        2.11491  -0.00000  -0.00035   0.00072   0.00036   2.11528
   A76        2.11314  -0.00003  -0.00093   0.00053  -0.00040   2.11274
   A77        2.05513   0.00003   0.00128  -0.00124   0.00004   2.05517
   A78        2.11657  -0.00004  -0.00027   0.00064   0.00036   2.11694
   A79        2.08699  -0.00008  -0.00079   0.00078  -0.00002   2.08698
   A80        2.07871   0.00012   0.00109  -0.00144  -0.00035   2.07836
   A81        2.09839  -0.00002  -0.00066   0.00043  -0.00023   2.09816
   A82        2.09885   0.00009   0.00185  -0.00065   0.00119   2.10005
   A83        2.08568  -0.00008  -0.00118   0.00023  -0.00094   2.08474
   A84        2.07968   0.00004   0.00152  -0.00100   0.00053   2.08021
   A85        2.10148   0.00000  -0.00110   0.00096  -0.00014   2.10134
   A86        2.10203  -0.00005  -0.00042   0.00003  -0.00039   2.10164
   A87        2.09804   0.00000  -0.00076   0.00051  -0.00026   2.09778
   A88        2.08578  -0.00006  -0.00095   0.00022  -0.00073   2.08505
   A89        2.09910   0.00006   0.00170  -0.00072   0.00098   2.10009
   A90        2.11679  -0.00003  -0.00022   0.00073   0.00051   2.11730
   A91        2.08483  -0.00008  -0.00060   0.00036  -0.00024   2.08459
   A92        2.08058   0.00011   0.00087  -0.00114  -0.00026   2.08031
   A93        2.11799  -0.00004  -0.00094   0.00052  -0.00042   2.11757
   A94        2.08529   0.00001  -0.00049   0.00059   0.00010   2.08539
   A95        2.07893   0.00003   0.00156  -0.00117   0.00039   2.07931
   A96        2.09875  -0.00001  -0.00116   0.00058  -0.00058   2.09817
   A97        2.09813   0.00009   0.00250  -0.00098   0.00151   2.09965
   A98        2.08602  -0.00008  -0.00131   0.00040  -0.00091   2.08511
   A99        2.07852   0.00008   0.00261  -0.00116   0.00145   2.07996
   A100       2.10282  -0.00006  -0.00164   0.00086  -0.00078   2.10204
   A101       2.10185  -0.00002  -0.00097   0.00030  -0.00067   2.10118
   A102       2.09859  -0.00004  -0.00137   0.00060  -0.00076   2.09783
   A103       2.08570  -0.00006  -0.00124   0.00038  -0.00087   2.08483
   A104       2.09861   0.00010   0.00264  -0.00098   0.00166   2.10027
   A105       2.11824  -0.00003  -0.00082   0.00053  -0.00029   2.11795
   A106       2.08573   0.00000  -0.00048   0.00053   0.00005   2.08578
   A107       2.07825   0.00003   0.00148  -0.00114   0.00034   2.07859
   A108       2.11764  -0.00003  -0.00068   0.00062  -0.00006   2.11758
   A109       2.08665  -0.00002   0.00007   0.00042   0.00049   2.08714
   A110       2.07803   0.00005   0.00066  -0.00108  -0.00042   2.07761
   A111       2.09852  -0.00003  -0.00100   0.00049  -0.00051   2.09801
   A112       2.09854   0.00011   0.00225  -0.00072   0.00153   2.10008
   A113       2.08584  -0.00008  -0.00123   0.00025  -0.00098   2.08485
   A114       2.07872   0.00009   0.00215  -0.00102   0.00114   2.07986
   A115       2.10227  -0.00008  -0.00134   0.00051  -0.00083   2.10143
   A116       2.10220  -0.00001  -0.00081   0.00051  -0.00031   2.10190
   A117       2.09869  -0.00002  -0.00103   0.00055  -0.00048   2.09821
   A118       2.08590  -0.00007  -0.00111   0.00024  -0.00086   2.08504
   A119       2.09831   0.00009   0.00217  -0.00079   0.00138   2.09969
   A120       2.11755  -0.00005  -0.00073   0.00060  -0.00013   2.11743
   A121       2.08530  -0.00002  -0.00032   0.00045   0.00013   2.08543
   A122       2.07957   0.00007   0.00113  -0.00111   0.00002   2.07959
   A123       2.19607   0.00002   0.00024  -0.00033  -0.00009   2.19599
   A124       2.19647   0.00004  -0.00038   0.00040   0.00002   2.19649
   A125       1.89064  -0.00005   0.00014  -0.00007   0.00007   1.89071
   A126       2.19615   0.00006  -0.00014   0.00021   0.00007   2.19622
   A127       2.19604   0.00005   0.00045  -0.00032   0.00013   2.19617
   A128       1.89099  -0.00011  -0.00030   0.00011  -0.00019   1.89080
   A129       2.19605   0.00008   0.00000   0.00024   0.00024   2.19629
   A130       2.19638  -0.00002  -0.00000  -0.00026  -0.00026   2.19612
   A131       1.89075  -0.00005   0.00000   0.00002   0.00002   1.89077
   A132       1.90145  -0.00000  -0.00016   0.00010  -0.00006   1.90139
   A133       2.26048  -0.00003  -0.00104   0.00035  -0.00069   2.25979
   A134       2.12069   0.00004   0.00121  -0.00042   0.00079   2.12148
   A135       1.86549   0.00004   0.00031  -0.00019   0.00013   1.86561
   A136       2.08690  -0.00004  -0.00065   0.00018  -0.00047   2.08643
   A137       2.33069  -0.00001   0.00038  -0.00000   0.00038   2.33107
   A138       1.86549   0.00005   0.00033  -0.00021   0.00012   1.86561
   A139       2.33067  -0.00001   0.00036   0.00004   0.00041   2.33108
   A140       2.08691  -0.00003  -0.00064   0.00016  -0.00048   2.08643
   A141       1.90136   0.00001  -0.00018   0.00018   0.00001   1.90137
   A142       2.26070  -0.00006  -0.00092   0.00010  -0.00082   2.25988
   A143       2.12057   0.00005   0.00111  -0.00025   0.00086   2.12144
   A144       1.90148   0.00002  -0.00008   0.00013   0.00006   1.90154
   A145       2.26099  -0.00012  -0.00159   0.00030  -0.00129   2.25971
   A146       2.12009   0.00010   0.00177  -0.00045   0.00132   2.12141
   A147       1.86558   0.00001  -0.00001  -0.00007  -0.00008   1.86550
   A148       2.08729  -0.00006  -0.00113   0.00033  -0.00080   2.08649
   A149       2.33020   0.00005   0.00119  -0.00028   0.00092   2.33113
   A150       1.86561   0.00002  -0.00007   0.00001  -0.00006   1.86554
   A151       2.33022   0.00004   0.00129  -0.00043   0.00087   2.33108
   A152       2.08725  -0.00006  -0.00118   0.00041  -0.00077   2.08648
   A153       1.90147   0.00000   0.00002   0.00000   0.00002   1.90149
   A154       2.26093  -0.00008  -0.00177   0.00063  -0.00113   2.25980
   A155       2.12017   0.00008   0.00184  -0.00064   0.00120   2.12137
   A156       1.90154   0.00001  -0.00014   0.00013  -0.00001   1.90153
   A157       2.26071  -0.00009  -0.00147   0.00034  -0.00112   2.25959
   A158       2.12035   0.00008   0.00168  -0.00045   0.00123   2.12157
   A159       1.86547   0.00001   0.00014  -0.00015  -0.00001   1.86546
   A160       2.08721  -0.00007  -0.00102   0.00022  -0.00080   2.08641
   A161       2.33040   0.00006   0.00092  -0.00008   0.00085   2.33125
   A162       1.86544   0.00000   0.00016  -0.00022  -0.00006   1.86538
   A163       2.33042   0.00007   0.00090   0.00002   0.00093   2.33135
   A164       2.08721  -0.00007  -0.00101   0.00019  -0.00082   2.08638
   A165       1.90158   0.00003  -0.00017   0.00023   0.00006   1.90164
   A166       2.26091  -0.00013  -0.00143   0.00015  -0.00128   2.25963
   A167       2.12010   0.00010   0.00167  -0.00036   0.00131   2.12142
   A168       2.07986   0.00000  -0.00002  -0.00003  -0.00004   2.07982
   A169       2.09987   0.00002  -0.00005   0.00016   0.00011   2.09999
   A170       2.10344  -0.00003   0.00006  -0.00014  -0.00008   2.10337
   A171       2.10376   0.00001   0.00030  -0.00005   0.00025   2.10401
   A172       2.09232  -0.00002  -0.00020  -0.00002  -0.00022   2.09210
   A173       2.08709   0.00001  -0.00010   0.00007  -0.00003   2.08706
   A174       2.11992  -0.00002  -0.00014   0.00002  -0.00012   2.11981
   A175       2.08497   0.00002   0.00031  -0.00011   0.00020   2.08517
   A176       2.07828   0.00001  -0.00016   0.00009  -0.00008   2.07821
   A177       2.05519  -0.00001  -0.00066   0.00017  -0.00049   2.05470
   A178       2.11776  -0.00002  -0.00024  -0.00001  -0.00026   2.11750
   A179       2.11021   0.00003   0.00090  -0.00015   0.00074   2.11095
   A180       2.05502   0.00000  -0.00073   0.00031  -0.00042   2.05460
   A181       2.11781  -0.00003  -0.00034   0.00006  -0.00028   2.11753
   A182       2.11033   0.00003   0.00106  -0.00036   0.00070   2.11103
   A183       2.12003  -0.00003  -0.00012  -0.00002  -0.00014   2.11990
   A184       2.07809   0.00002  -0.00020   0.00017  -0.00002   2.07807
   A185       2.08505   0.00001   0.00032  -0.00016   0.00016   2.08522
   A186       2.10374   0.00002   0.00031  -0.00007   0.00024   2.10398
   A187       2.08722   0.00000  -0.00012   0.00005  -0.00007   2.08716
   A188       2.09221  -0.00002  -0.00019   0.00001  -0.00017   2.09203
   A189       2.07984   0.00001  -0.00006   0.00004  -0.00002   2.07982
   A190       2.09987   0.00002  -0.00007   0.00017   0.00010   2.09997
   A191       2.10347  -0.00003   0.00012  -0.00021  -0.00009   2.10338
   A192       2.07986  -0.00000  -0.00002  -0.00000  -0.00002   2.07984
   A193       2.09977   0.00003  -0.00001   0.00014   0.00013   2.09991
   A194       2.10355  -0.00003   0.00003  -0.00014  -0.00012   2.10343
   A195       2.10354   0.00003   0.00054  -0.00016   0.00037   2.10392
   A196       2.09234  -0.00003  -0.00029   0.00004  -0.00025   2.09209
   A197       2.08729   0.00000  -0.00024   0.00012  -0.00012   2.08717
   A198       2.12010  -0.00003  -0.00019   0.00004  -0.00015   2.11995
   A199       2.08519   0.00000   0.00020  -0.00012   0.00008   2.08527
   A200       2.07789   0.00002   0.00000   0.00007   0.00007   2.07796
   A201       2.05528  -0.00002  -0.00099   0.00036  -0.00063   2.05465
   A202       2.11803  -0.00003  -0.00095   0.00039  -0.00056   2.11747
   A203       2.10985   0.00005   0.00195  -0.00076   0.00119   2.11104
   A204       2.05531  -0.00003  -0.00097   0.00028  -0.00069   2.05462
   A205       2.11810  -0.00005  -0.00091   0.00026  -0.00065   2.11745
   A206       2.10974   0.00007   0.00188  -0.00054   0.00134   2.11108
   A207       2.12009  -0.00003  -0.00018   0.00002  -0.00016   2.11994
   A208       2.07796   0.00002   0.00001   0.00003   0.00004   2.07800
   A209       2.08512   0.00001   0.00017  -0.00005   0.00012   2.08524
   A210       2.10355   0.00003   0.00052  -0.00013   0.00040   2.10394
   A211       2.08726  -0.00000  -0.00023   0.00008  -0.00015   2.08711
   A212       2.09236  -0.00003  -0.00029   0.00004  -0.00024   2.09211
   A213       2.07986  -0.00001  -0.00002  -0.00004  -0.00007   2.07979
   A214       2.09980   0.00003   0.00000   0.00012   0.00012   2.09992
   A215       2.10352  -0.00002   0.00001  -0.00007  -0.00006   2.10346
   A216       2.07992   0.00000  -0.00004   0.00002  -0.00002   2.07990
   A217       2.09979   0.00002  -0.00002   0.00012   0.00010   2.09989
   A218       2.10346  -0.00002   0.00006  -0.00014  -0.00008   2.10338
   A219       2.10353   0.00003   0.00049  -0.00009   0.00040   2.10393
   A220       2.09231  -0.00003  -0.00026   0.00002  -0.00024   2.09207
   A221       2.08732  -0.00000  -0.00022   0.00007  -0.00015   2.08717
   A222       2.12010  -0.00004  -0.00020   0.00001  -0.00019   2.11991
   A223       2.08504   0.00001   0.00026  -0.00013   0.00013   2.08516
   A224       2.07804   0.00003  -0.00006   0.00013   0.00006   2.07811
   A225       2.05534  -0.00002  -0.00092   0.00026  -0.00066   2.05468
   A226       2.11764  -0.00005  -0.00059   0.00004  -0.00054   2.11710
   A227       2.11018   0.00007   0.00150  -0.00030   0.00121   2.11139
   A228       2.05509  -0.00002  -0.00093   0.00031  -0.00062   2.05447
   A229       2.11805  -0.00004  -0.00059   0.00009  -0.00050   2.11755
   A230       2.11002   0.00006   0.00151  -0.00039   0.00112   2.11114
   A231       2.12018  -0.00003  -0.00020   0.00001  -0.00018   2.12000
   A232       2.07786   0.00003  -0.00004   0.00013   0.00009   2.07795
   A233       2.08514   0.00000   0.00024  -0.00015   0.00009   2.08523
   A234       2.10361   0.00003   0.00048  -0.00010   0.00039   2.10400
   A235       2.08723  -0.00000  -0.00022   0.00008  -0.00014   2.08709
   A236       2.09233  -0.00003  -0.00026   0.00002  -0.00024   2.09208
   A237       2.07976   0.00000  -0.00003   0.00003  -0.00000   2.07975
   A238       2.09984   0.00003  -0.00002   0.00016   0.00014   2.09998
   A239       2.10358  -0.00003   0.00005  -0.00019  -0.00014   2.10345
   A240       2.02873  -0.00043  -0.00369  -0.00059  -0.00635   2.02238
   A241       1.83585   0.00012  -0.00427   0.00490   0.00376   1.83961
   A242       1.71670   0.00038  -0.00410   0.00418   0.00092   1.71761
   A243       2.03036   0.00012   0.00798  -0.00471   0.00383   2.03419
   A244       2.02339   0.00007   0.00511  -0.00195   0.00342   2.02681
   A245       1.78682  -0.00020  -0.00337  -0.00011  -0.00591   1.78091
   A246       2.12081  -0.00002   0.00390  -0.00381   0.00259   2.12339
   A247       2.06011   0.00017   0.00202  -0.00099   0.00103   2.06114
   A248       1.88093  -0.00025  -0.00385   0.00156  -0.00054   1.88039
   A249       1.87180   0.00009   0.00030   0.00105   0.00033   1.87213
   A250       1.89712   0.00007  -0.00366   0.00170  -0.00361   1.89350
   A251       1.95623   0.00018   0.00770  -0.00347   0.00209   1.95833
   A252       1.95925   0.00017   0.00771  -0.00312   0.00460   1.96385
   A253       1.89566  -0.00027  -0.00881   0.00259  -0.00321   1.89245
   A254       1.90901   0.00001  -0.00201   0.00080  -0.00121   1.90780
   A255       1.93925  -0.00000   0.00066  -0.00010   0.00056   1.93982
   A256       1.93859  -0.00002   0.00060  -0.00043   0.00017   1.93876
   A257       1.88990   0.00000   0.00024   0.00002   0.00026   1.89015
   A258       1.88992  -0.00000  -0.00024   0.00019  -0.00005   1.88987
   A259       1.89586   0.00001   0.00073  -0.00046   0.00027   1.89613
   A260       1.88145  -0.00002  -0.00028  -0.00001  -0.00029   1.88116
   A261       1.89048   0.00001   0.00040  -0.00008   0.00032   1.89079
   A262       1.89458  -0.00002  -0.00059  -0.00003  -0.00062   1.89396
   A263       1.94715   0.00001   0.00049  -0.00024   0.00025   1.94740
   A264       1.95038   0.00004   0.00111   0.00006   0.00117   1.95154
   A265       1.89820  -0.00003  -0.00116   0.00030  -0.00086   1.89733
   A266       1.93754  -0.00001  -0.00031   0.00030  -0.00001   1.93753
   A267       1.91348   0.00001  -0.00025   0.00004  -0.00020   1.91328
   A268       1.93399   0.00002   0.00042  -0.00021   0.00021   1.93420
   A269       1.89188   0.00000  -0.00000   0.00003   0.00003   1.89191
   A270       1.89345  -0.00000   0.00016  -0.00018  -0.00002   1.89343
   A271       1.89239  -0.00001  -0.00002   0.00001  -0.00001   1.89238
   A272       1.86123   0.00018   0.02454  -0.01162   0.01738   1.87860
   A273       1.64100   0.00027   0.04056  -0.01995   0.02247   1.66347
   A274       1.80767   0.00019  -0.08173   0.03713  -0.04248   1.76520
   A275       1.82086   0.00017  -0.03809   0.01864  -0.01883   1.80203
   A276       1.31573  -0.00028  -0.06231   0.02471  -0.03461   1.28112
   A277       1.36864  -0.00027  -0.02260   0.00746  -0.01277   1.35587
   A278       0.56737  -0.00008   0.01273  -0.00721   0.00551   0.57288
    D1        0.01016   0.00002   0.00071  -0.00018   0.00038   0.01054
    D2        3.10719   0.00007   0.00328  -0.00176   0.00128   3.10847
    D3       -3.13142   0.00003   0.00153   0.00006   0.00154  -3.12988
    D4       -0.03439   0.00008   0.00409  -0.00152   0.00244  -0.03195
    D5       -0.03371   0.00002   0.00397  -0.00200   0.00200  -0.03171
    D6        3.10034   0.00006   0.00737  -0.00278   0.00469   3.10503
    D7        3.10787   0.00001   0.00315  -0.00225   0.00083   3.10870
    D8       -0.04127   0.00006   0.00656  -0.00302   0.00353  -0.03774
    D9        2.48978   0.00005  -0.00563   0.01429   0.00861   2.49839
   D10       -0.65226   0.00005  -0.00601   0.01470   0.00863  -0.64362
   D11       -0.65180   0.00006  -0.00479   0.01453   0.00980  -0.64200
   D12        2.48935   0.00006  -0.00518   0.01495   0.00982   2.49918
   D13        0.03840  -0.00006  -0.00540   0.00225  -0.00309   0.03531
   D14       -3.01158  -0.00009  -0.01598   0.00307  -0.01354  -3.02512
   D15       -3.05827  -0.00011  -0.00793   0.00380  -0.00398  -3.06225
   D16        0.17494  -0.00014  -0.01850   0.00461  -0.01443   0.16051
   D17       -0.06397   0.00004   0.00544  -0.00221   0.00338  -0.06060
   D18        3.04072   0.00003   0.00418  -0.00255   0.00142   3.04214
   D19        2.99031   0.00008   0.01531  -0.00270   0.01319   3.00351
   D20       -0.18819   0.00006   0.01405  -0.00305   0.01124  -0.17695
   D21       -2.92889   0.00007  -0.01853   0.01778  -0.00086  -2.92975
   D22        0.34727   0.00003  -0.03482   0.02257  -0.01257   0.33471
   D23        0.30391   0.00004  -0.02893   0.01848  -0.01110   0.29280
   D24       -2.70311   0.00000  -0.04522   0.02327  -0.02281  -2.72592
   D25        0.04176  -0.00000  -0.00091   0.00010  -0.00104   0.04071
   D26       -3.11641   0.00000  -0.00373   0.00205  -0.00182  -3.11823
   D27       -3.06298   0.00001   0.00028   0.00050   0.00086  -3.06212
   D28        0.06204   0.00002  -0.00254   0.00244   0.00009   0.06212
   D29       -0.34491  -0.00020   0.05314  -0.03714   0.01719  -0.32772
   D30        2.87328  -0.00018   0.03044  -0.02646   0.00524   2.87853
   D31        2.75965  -0.00021   0.05194  -0.03750   0.01529   2.77494
   D32       -0.30534  -0.00020   0.02924  -0.02682   0.00334  -0.30200
   D33        0.00795  -0.00003  -0.00388   0.00207  -0.00166   0.00628
   D34       -3.12610  -0.00007  -0.00728   0.00283  -0.00436  -3.13046
   D35       -3.11664  -0.00003  -0.00097   0.00005  -0.00087  -3.11751
   D36        0.03249  -0.00008  -0.00437   0.00082  -0.00356   0.02893
   D37        0.12992   0.00002  -0.02593   0.00843  -0.01829   0.11163
   D38       -2.90473  -0.00005  -0.01524  -0.00035  -0.01600  -2.92073
   D39        3.13944   0.00007  -0.00981   0.00367  -0.00667   3.13277
   D40        0.10479  -0.00000   0.00087  -0.00512  -0.00437   0.10042
   D41        2.97584   0.00008   0.01677  -0.00146   0.01576   2.99160
   D42       -0.08154   0.00002   0.01285  -0.00022   0.01293  -0.06862
   D43       -0.03260   0.00002   0.00032   0.00348   0.00393  -0.02867
   D44       -3.08998  -0.00003  -0.00360   0.00471   0.00109  -3.08888
   D45       -0.63465  -0.00011   0.08272  -0.04083   0.04008  -0.59457
   D46       -3.03832  -0.00001  -0.05763   0.03012  -0.02371  -3.06203
   D47        1.17605   0.00035  -0.00472   0.00802   0.00200   1.17805
   D48        2.39567  -0.00004   0.07177  -0.03183   0.03766   2.43333
   D49       -0.00800   0.00007  -0.06859   0.03912  -0.02613  -0.03413
   D50       -2.07682   0.00042  -0.01568   0.01702  -0.00042  -2.07724
   D51       -0.09798  -0.00003  -0.00148   0.00282   0.00138  -0.09660
   D52        3.01717  -0.00001  -0.01284   0.00964  -0.00335   3.01382
   D53       -3.12860  -0.00009   0.00910  -0.00600   0.00374  -3.12485
   D54       -0.01345  -0.00007  -0.00225   0.00082  -0.00098  -0.01443
   D55        0.73598   0.00021  -0.09399   0.05386  -0.03823   0.69775
   D56       -2.48632   0.00021  -0.06995   0.04235  -0.02544  -2.51175
   D57       -3.12794   0.00015   0.04616  -0.01768   0.02692  -3.10102
   D58       -0.06705   0.00015   0.07020  -0.02920   0.03971  -0.02734
   D59       -1.19224  -0.00045  -0.04070   0.02059  -0.01940  -1.21164
   D60        1.86865  -0.00045  -0.01666   0.00908  -0.00661   1.86204
   D61        2.45233  -0.00028   0.06715  -0.04209   0.02364   2.47597
   D62       -1.10908   0.00011   0.09512  -0.04818   0.04645  -1.06263
   D63        0.07884  -0.00015  -0.08413   0.03621  -0.04654   0.03230
   D64        2.80062   0.00024  -0.05616   0.03012  -0.02373   2.77689
   D65        2.34793  -0.00001   0.01380  -0.00671   0.00872   2.35665
   D66        1.76298   0.00004   0.01161  -0.00386   0.00837   1.77134
   D67       -1.93219   0.00011   0.02441  -0.01121   0.01475  -1.91744
   D68       -2.51715   0.00016   0.02222  -0.00836   0.01440  -2.50275
   D69        3.08762  -0.00007   0.00854  -0.00622   0.00272   3.09034
   D70        0.02911  -0.00005  -0.01638   0.00603  -0.01060   0.01850
   D71       -0.04895  -0.00000  -0.00124   0.00080  -0.00045  -0.04940
   D72        3.13465  -0.00003   0.00007  -0.00230  -0.00230   3.13236
   D73        3.00905   0.00005   0.00260  -0.00048   0.00228   3.01133
   D74       -0.09054   0.00002   0.00391  -0.00359   0.00043  -0.09010
   D75        0.05769  -0.00002   0.00082  -0.00329  -0.00257   0.05512
   D76       -3.10364  -0.00003   0.00174  -0.00558  -0.00383  -3.10748
   D77       -3.12616   0.00000  -0.00045  -0.00023  -0.00072  -3.12688
   D78       -0.00431   0.00000   0.00047  -0.00251  -0.00199  -0.00630
   D79        2.44275   0.00030   0.02993   0.01935   0.04931   2.49206
   D80       -0.70014   0.00031   0.02833   0.02061   0.04897  -0.65117
   D81       -0.65531   0.00027   0.03124   0.01623   0.04744  -0.60786
   D82        2.48499   0.00028   0.02964   0.01749   0.04710   2.53209
   D83        0.01579   0.00004   0.00060   0.00144   0.00209   0.01788
   D84       -3.09989   0.00002   0.01187  -0.00530   0.00677  -3.09312
   D85       -3.10620   0.00004  -0.00029   0.00367   0.00334  -3.10286
   D86        0.06131   0.00002   0.01098  -0.00307   0.00801   0.06932
   D87       -0.05967   0.00009   0.05136  -0.02357   0.02865  -0.03101
   D88        3.13384   0.00008   0.05357  -0.02645   0.02798  -3.12136
   D89       -2.77451  -0.00036   0.01948  -0.01537   0.00330  -2.77120
   D90        0.41900  -0.00036   0.02169  -0.01825   0.00263   0.42163
   D91       -0.97104   0.00007  -0.00369   0.00180  -0.00255  -0.97360
   D92        2.22247   0.00007  -0.00148  -0.00108  -0.00323   2.21924
   D93        0.20526  -0.00032  -0.05951   0.02407  -0.03593   0.16934
   D94       -2.06811  -0.00026  -0.06375   0.02663  -0.03949  -2.10760
   D95        2.37672  -0.00020  -0.05796   0.02429  -0.03437   2.34236
   D96        2.92816  -0.00006  -0.03192   0.01780  -0.01441   2.91375
   D97        0.65479   0.00001  -0.03617   0.02036  -0.01798   0.63681
   D98       -1.18357   0.00007  -0.03038   0.01802  -0.01285  -1.19642
   D99        0.83529  -0.00006   0.01211  -0.00827   0.00259   0.83788
   D100      -1.43808   0.00001   0.00787  -0.00571  -0.00098  -1.43905
   D101       3.00675   0.00007   0.01366  -0.00805   0.00415   3.01090
   D102      -1.15403  -0.00028   0.05593  -0.03032   0.02546  -1.12856
   D103      -1.73452  -0.00024   0.04167  -0.02224   0.01870  -1.71582
   D104       0.96758   0.00004   0.04667  -0.02165   0.02475   0.99232
   D105       0.38708   0.00008   0.03242  -0.01357   0.01798   0.40506
   D106       0.02004   0.00003   0.00390  -0.00136   0.00226   0.02230
   D107      -3.10588  -0.00001  -0.00119   0.00002  -0.00129  -3.10717
   D108       3.11256   0.00004   0.00173   0.00141   0.00288   3.11544
   D109      -0.01337   0.00001  -0.00335   0.00279  -0.00066  -0.01403
   D110       3.10844  -0.00000  -0.00113   0.00114   0.00015   3.10859
   D111      -0.03167   0.00004   0.00669  -0.00246   0.00431  -0.02736
   D112       0.01820  -0.00001   0.00128  -0.00184  -0.00048   0.01772
   D113      -3.12190   0.00003   0.00910  -0.00544   0.00368  -3.11823
   D114      -0.00467  -0.00002  -0.02123   0.01022  -0.01123  -0.01590
   D115       3.12176   0.00001  -0.01634   0.00892  -0.00781   3.11395
   D116      -0.00102   0.00000   0.00226  -0.00121   0.00111   0.00008
   D117       3.11487   0.00002   0.00239  -0.00204   0.00035   3.11522
   D118      -3.12782  -0.00003  -0.00253   0.00007  -0.00225  -3.13006
   D119      -0.01192  -0.00002  -0.00239  -0.00075  -0.00301  -0.01493
   D120      -0.00893  -0.00000   0.00200  -0.00074   0.00124  -0.00769
   D121       3.11087   0.00004   0.00652  -0.00371   0.00277   3.11364
   D122       3.13121  -0.00004  -0.00569   0.00279  -0.00284   3.12837
   D123      -0.03217   0.00000  -0.00117  -0.00017  -0.00131  -0.03349
   D124      -0.00562   0.00001  -0.00307   0.00231  -0.00079  -0.00641
   D125       3.13995   0.00001  -0.00216   0.00156  -0.00060   3.13935
   D126      -3.12518  -0.00003  -0.00765   0.00535  -0.00232  -3.12750
   D127       0.02039  -0.00003  -0.00673   0.00459  -0.00213   0.01826
   D128       0.01050  -0.00001   0.00092  -0.00133  -0.00038   0.01012
   D129      -3.10414  -0.00002   0.00082  -0.00045   0.00045  -3.10369
   D130      -3.13507  -0.00001  -0.00000  -0.00057  -0.00057  -3.13565
   D131       0.03347  -0.00002  -0.00011   0.00031   0.00026   0.03373
   D132       0.64631  -0.00019  -0.01520  -0.01563  -0.03085   0.61546
   D133      -2.49518  -0.00020  -0.01540  -0.01607  -0.03149  -2.52667
   D134      -2.49112  -0.00019  -0.01425  -0.01642  -0.03065  -2.52177
   D135       0.65058  -0.00020  -0.01445  -0.01686  -0.03129   0.61929
   D136      -3.13191  -0.00000  -0.00013  -0.00008  -0.00021  -3.13212
   D137      -0.03831   0.00003   0.00291  -0.00158   0.00133  -0.03698
   D138       0.01011  -0.00001   0.00024  -0.00048  -0.00023   0.00988
   D139       3.10371   0.00003   0.00328  -0.00198   0.00130   3.10502
   D140      -3.13595   0.00001   0.00102  -0.00025   0.00077  -3.13518
   D141      -0.04207   0.00005   0.00537  -0.00214   0.00323  -0.03884
   D142       0.00521   0.00002   0.00065   0.00015   0.00079   0.00600
   D143       3.09909   0.00006   0.00500  -0.00174   0.00326   3.10235
   D144      -3.13330  -0.00001  -0.00063  -0.00036  -0.00099  -3.13429
   D145      -0.03800   0.00005  -0.00012  -0.00100  -0.00112  -0.03912
   D146       0.00956  -0.00002   0.00092  -0.00158  -0.00066   0.00890
   D147       3.10485   0.00004   0.00144  -0.00223  -0.00079   3.10406
   D148      -3.13309  -0.00000   0.00054  -0.00015   0.00039  -3.13270
   D149      -0.03964   0.00006   0.00205  -0.00147   0.00059  -0.03904
   D150       0.00725   0.00000  -0.00101   0.00107   0.00006   0.00730
   D151       3.10070   0.00007   0.00050  -0.00024   0.00027   3.10096
   D152       3.13414  -0.00001  -0.00109   0.00011  -0.00098   3.13316
   D153       0.03767  -0.00004  -0.00225   0.00126  -0.00099   0.03668
   D154      -0.00755  -0.00000  -0.00090   0.00054  -0.00037  -0.00792
   D155      -3.10402  -0.00003  -0.00205   0.00168  -0.00037  -3.10439
   D156       3.13528   0.00001   0.00060  -0.00000   0.00060   3.13588
   D157       0.03596  -0.00003  -0.00158   0.00166   0.00008   0.03604
   D158      -0.00621  -0.00000   0.00041  -0.00043  -0.00002  -0.00622
   D159      -3.10553  -0.00004  -0.00177   0.00123  -0.00054  -3.10607
   D160      -0.01695   0.00001  -0.00045   0.00085   0.00040  -0.01655
   D161       3.10008   0.00002  -0.00004   0.00149   0.00145   3.10153
   D162      -3.11246  -0.00004  -0.00092   0.00144   0.00053  -3.11194
   D163       0.00457  -0.00003  -0.00051   0.00208   0.00157   0.00614
   D164       0.00740   0.00000   0.00006   0.00041   0.00046   0.00787
   D165      -3.13454   0.00001   0.00066   0.00033   0.00100  -3.13354
   D166      -3.10981  -0.00001  -0.00040  -0.00021  -0.00060  -3.11042
   D167       0.03143   0.00000   0.00021  -0.00028  -0.00007   0.03136
   D168       0.00915  -0.00002  -0.00014  -0.00092  -0.00106   0.00809
   D169      -3.10789  -0.00001   0.00013  -0.00097  -0.00084  -3.10874
   D170      -3.13210  -0.00002  -0.00075  -0.00084  -0.00159  -3.13369
   D171       0.03405  -0.00002  -0.00048  -0.00090  -0.00138   0.03267
   D172       0.92358   0.00012   0.00746   0.00482   0.01229   0.93587
   D173      -2.21485   0.00012   0.00790   0.00404   0.01195  -2.20290
   D174      -2.21837   0.00013   0.00808   0.00475   0.01283  -2.20554
   D175       0.92639   0.00012   0.00852   0.00397   0.01249   0.93888
   D176      -0.01664   0.00001   0.00065   0.00016   0.00080  -0.01584
   D177      -3.11021  -0.00005  -0.00083   0.00142   0.00060  -3.10961
   D178       3.10021   0.00001   0.00034   0.00023   0.00056   3.10077
   D179       0.00664  -0.00005  -0.00115   0.00150   0.00036   0.00700
   D180      -0.01601  -0.00001  -0.00099   0.00031  -0.00068  -0.01668
   D181       3.09986  -0.00000   0.00044   0.00012   0.00056   3.10042
   D182      -3.10979  -0.00004  -0.00396   0.00176  -0.00220  -3.11198
   D183       0.00608  -0.00004  -0.00253   0.00157  -0.00097   0.00512
   D184       0.00641   0.00002   0.00086   0.00017   0.00104   0.00744
   D185      -3.13429   0.00001   0.00118  -0.00038   0.00080  -3.13349
   D186      -3.10964   0.00001  -0.00060   0.00038  -0.00022  -3.10986
   D187       0.03285   0.00000  -0.00028  -0.00017  -0.00045   0.03239
   D188       0.00867  -0.00001   0.00001  -0.00050  -0.00048   0.00819
   D189      -3.10712  -0.00002  -0.00142  -0.00041  -0.00182  -3.10894
   D190      -3.13382  -0.00000  -0.00031   0.00006  -0.00025  -3.13407
   D191       0.03358  -0.00001  -0.00174   0.00015  -0.00159   0.03198
   D192      -2.22704   0.00020   0.03014  -0.00551   0.02463  -2.20241
   D193       0.91611   0.00021   0.03209  -0.00644   0.02565   0.94176
   D194       0.91546   0.00020   0.03046  -0.00607   0.02440   0.93986
   D195      -2.22457   0.00020   0.03242  -0.00700   0.02541  -2.19916
   D196      -0.01462  -0.00001  -0.00076   0.00033  -0.00043  -0.01506
   D197      -3.10870  -0.00005  -0.00505   0.00217  -0.00288  -3.11159
   D198       3.10098  -0.00000   0.00062   0.00026   0.00088   3.10185
   D199       0.00690  -0.00004  -0.00367   0.00210  -0.00157   0.00533
   D200       0.01434  -0.00000   0.00069  -0.00037   0.00032   0.01467
   D201      -3.10139  -0.00001  -0.00032  -0.00106  -0.00137  -3.10276
   D202       3.11103   0.00003   0.00183  -0.00148   0.00035   3.11138
   D203      -0.00470   0.00001   0.00082  -0.00216  -0.00134  -0.00604
   D204      -0.00724   0.00000  -0.00000   0.00010   0.00010  -0.00714
   D205       3.13434  -0.00000   0.00011  -0.00024  -0.00013   3.13421
   D206       3.10868   0.00002   0.00105   0.00077   0.00182   3.11049
   D207      -0.03292   0.00002   0.00116   0.00043   0.00159  -0.03134
   D208      -0.00630  -0.00001  -0.00048   0.00001  -0.00048  -0.00678
   D209       3.10987   0.00001   0.00114   0.00010   0.00124   3.11111
   D210       3.13530  -0.00000  -0.00059   0.00034  -0.00025   3.13505
   D211      -0.03171   0.00002   0.00103   0.00044   0.00147  -0.03024
   D212       2.21774  -0.00018  -0.02152   0.00104  -0.02049   2.19726
   D213      -0.92285  -0.00018  -0.02141   0.00076  -0.02065  -0.94349
   D214      -0.92386  -0.00019  -0.02142   0.00070  -0.02072  -0.94458
   D215       2.21874  -0.00019  -0.02130   0.00042  -0.02088   2.19786
   D216       0.01317   0.00001   0.00026   0.00017   0.00044   0.01361
   D217       3.11263   0.00004   0.00241  -0.00144   0.00096   3.11359
   D218      -3.10282  -0.00001  -0.00133   0.00006  -0.00127  -3.10409
   D219      -0.00337   0.00003   0.00082  -0.00156  -0.00074  -0.00411
   D220      -3.14042  -0.00000   0.00148  -0.00105   0.00043  -3.14000
   D221       0.03931  -0.00002  -0.00198  -0.00058  -0.00256   0.03676
   D222      -0.00017  -0.00001  -0.00019  -0.00025  -0.00044  -0.00061
   D223      -3.10361  -0.00002  -0.00365   0.00022  -0.00343  -3.10704
   D224       3.13919   0.00000  -0.00163   0.00110  -0.00054   3.13865
   D225       0.03548  -0.00001  -0.00500   0.00155  -0.00345   0.03203
   D226      -0.00107   0.00001   0.00004   0.00030   0.00033  -0.00074
   D227      -3.10477  -0.00001  -0.00333   0.00075  -0.00258  -3.10736
   D228      -3.13949  -0.00001  -0.00017  -0.00032  -0.00049  -3.13998
   D229       0.03847  -0.00001  -0.00073  -0.00128  -0.00201   0.03646
   D230      -0.00060  -0.00000  -0.00055   0.00035  -0.00020  -0.00080
   D231      -3.10583  -0.00000  -0.00111  -0.00062  -0.00172  -3.10755
   D232       3.13813   0.00001  -0.00019   0.00064   0.00045   3.13858
   D233       0.03246   0.00001  -0.00100  -0.00022  -0.00121   0.03124
   D234      -0.00076   0.00000   0.00019  -0.00003   0.00016  -0.00060
   D235      -3.10643   0.00001  -0.00062  -0.00088  -0.00150  -3.10794
   D236      -3.14020  -0.00001   0.00039  -0.00061  -0.00022  -3.14042
   D237      -0.03564   0.00001   0.00280  -0.00002   0.00277  -0.03286
   D238       0.00054  -0.00000   0.00029  -0.00038  -0.00009   0.00045
   D239       3.10510   0.00001   0.00270   0.00021   0.00291   3.10801
   D240       3.14133   0.00001  -0.00004   0.00047   0.00043  -3.14143
   D241      -0.03769   0.00003   0.00249   0.00105   0.00354  -0.03415
   D242       0.00059   0.00001   0.00006   0.00023   0.00029   0.00088
   D243       3.10476   0.00003   0.00259   0.00081   0.00340   3.10816
   D244       0.00169   0.00000   0.00068  -0.00052   0.00016   0.00185
   D245      -3.12601  -0.00003  -0.00272   0.00031  -0.00241  -3.12842
   D246       3.11038  -0.00000   0.00113   0.00037   0.00150   3.11188
   D247      -0.01732  -0.00003  -0.00227   0.00120  -0.00107  -0.01839
   D248       3.11877   0.00002   0.00157   0.00031   0.00188   3.12065
   D249      -0.01483   0.00002   0.00262  -0.00026   0.00236  -0.01247
   D250       0.01753   0.00002   0.00099  -0.00077   0.00022   0.01774
   D251      -3.11608   0.00002   0.00204  -0.00134   0.00070  -3.11538
   D252      -0.00212  -0.00000  -0.00056   0.00049  -0.00006  -0.00218
   D253       3.12272   0.00004   0.00374  -0.00036   0.00339   3.12611
   D254       3.12281   0.00004   0.00351  -0.00050   0.00302   3.12582
   D255      -0.03554   0.00008   0.00781  -0.00135   0.00647  -0.02907
   D256       0.00426   0.00003   0.00193  -0.00073   0.00120   0.00545
   D257       3.14159   0.00001   0.00104  -0.00050   0.00054  -3.14106
   D258      -3.11899  -0.00002  -0.00255   0.00036  -0.00219  -3.12119
   D259       0.01834  -0.00004  -0.00344   0.00059  -0.00285   0.01549
   D260       0.00179  -0.00000   0.00023  -0.00029  -0.00006   0.00173
   D261       3.11089  -0.00001   0.00091   0.00049   0.00141   3.11229
   D262      -3.12584  -0.00004  -0.00336   0.00042  -0.00294  -3.12879
   D263      -0.01674  -0.00004  -0.00268   0.00120  -0.00148  -0.01822
   D264      -3.11893  -0.00002  -0.00261   0.00002  -0.00259  -3.12152
   D265       0.01850  -0.00003  -0.00355   0.00053  -0.00302   0.01548
   D266       0.00423   0.00003   0.00212  -0.00092   0.00121   0.00544
   D267      -3.14153   0.00001   0.00119  -0.00040   0.00078  -3.14074
   D268       3.11863   0.00002   0.00218   0.00034   0.00252   3.12115
   D269      -0.01631   0.00004   0.00344  -0.00001   0.00342  -0.01289
   D270       0.01689   0.00003   0.00132  -0.00062   0.00070   0.01758
   D271      -3.11806   0.00004   0.00257  -0.00097   0.00160  -3.11646
   D272       0.00130   0.00001   0.00027   0.00011   0.00037   0.00167
   D273      -3.12589  -0.00003  -0.00389   0.00113  -0.00276  -3.12865
   D274       3.10840   0.00001   0.00331  -0.00030   0.00301   3.11142
   D275      -0.01879  -0.00002  -0.00084   0.00073  -0.00012  -0.01891
   D276       3.11794   0.00002   0.00357  -0.00074   0.00283   3.12077
   D277      -0.01516   0.00002   0.00393  -0.00104   0.00289  -0.01227
   D278       0.01865   0.00001  -0.00022  -0.00023  -0.00045   0.01820
   D279      -3.11445   0.00001   0.00014  -0.00053  -0.00039  -3.11484
   D280      -0.00192  -0.00000  -0.00024   0.00007  -0.00017  -0.00208
   D281       3.12312   0.00003   0.00405  -0.00127   0.00277   3.12590
   D282       3.12241   0.00004   0.00473  -0.00115   0.00357   3.12598
   D283      -0.03574   0.00007   0.00902  -0.00250   0.00651  -0.02923
   D284       0.00497   0.00002   0.00137  -0.00068   0.00069   0.00566
   D285      -3.14118   0.00001   0.00066  -0.00032   0.00034  -3.14084
   D286      -3.11762  -0.00003  -0.00410   0.00067  -0.00343  -3.12105
   D287       0.01942  -0.00004  -0.00481   0.00103  -0.00378   0.01563
   D288       0.00185  -0.00000   0.00013  -0.00023  -0.00010   0.00175
   D289       3.10919   0.00001   0.00309  -0.00061   0.00249   3.11167
   D290      -3.12594  -0.00003  -0.00347   0.00090  -0.00257  -3.12850
   D291      -0.01860  -0.00002  -0.00050   0.00052   0.00002  -0.01858
   D292      -3.11843  -0.00002  -0.00361   0.00103  -0.00257  -3.12100
   D293       0.01854  -0.00003  -0.00372   0.00103  -0.00269   0.01585
   D294       0.00495   0.00002   0.00112  -0.00045   0.00067   0.00562
   D295      -3.14127   0.00001   0.00101  -0.00045   0.00056  -3.14072
   D296       3.11809   0.00003   0.00335  -0.00074   0.00261   3.12070
   D297      -0.01576   0.00002   0.00279  -0.00064   0.00215  -0.01361
   D298       0.01852   0.00001  -0.00035  -0.00026  -0.00060   0.01792
   D299      -3.11533   0.00000  -0.00091  -0.00015  -0.00106  -3.11639
   D300      -0.00142  -0.00000  -0.00052   0.00038  -0.00015  -0.00157
   D301       3.12630   0.00003   0.00327  -0.00058   0.00270   3.12899
   D302      -3.10952  -0.00001  -0.00262  -0.00018  -0.00280  -3.11233
   D303       0.01820   0.00002   0.00117  -0.00113   0.00004   0.01823
   D304      -3.11861  -0.00003  -0.00273  -0.00003  -0.00276  -3.12137
   D305       0.01533  -0.00002  -0.00281   0.00040  -0.00240   0.01292
   D306      -0.01809  -0.00001  -0.00011   0.00064   0.00054  -0.01755
   D307       3.11584  -0.00000  -0.00019   0.00107   0.00089   3.11673
   D308       0.00175   0.00001   0.00055  -0.00023   0.00032   0.00207
   D309      -3.12295  -0.00004  -0.00398   0.00077  -0.00320  -3.12615
   D310      -3.12320  -0.00003  -0.00398   0.00091  -0.00307  -3.12627
   D311       0.03529  -0.00008  -0.00851   0.00191  -0.00660   0.02869
   D312      -0.00483  -0.00002  -0.00149   0.00080  -0.00068  -0.00552
   D313       3.14105  -0.00000  -0.00089   0.00055  -0.00034   3.14071
   D314       3.11845   0.00003   0.00351  -0.00045   0.00305   3.12150
   D315      -0.01885   0.00004   0.00411  -0.00071   0.00340  -0.01546
   D316      -0.00145  -0.00001  -0.00038   0.00000  -0.00038  -0.00183
   D317      -3.10921  -0.00002  -0.00259  -0.00054  -0.00313  -3.11234
   D318       3.12605   0.00003   0.00341  -0.00084   0.00257   3.12863
   D319       0.01829   0.00002   0.00120  -0.00137  -0.00018   0.01811
   D320       3.11817   0.00003   0.00354  -0.00025   0.00329   3.12146
   D321      -0.01891   0.00004   0.00409  -0.00060   0.00349  -0.01542
   D322      -0.00483  -0.00002  -0.00145   0.00085  -0.00060  -0.00543
   D323       3.14128  -0.00001  -0.00090   0.00051  -0.00039   3.14088
   D324      -3.11829  -0.00003  -0.00293   0.00022  -0.00271  -3.12100
   D325       0.01563  -0.00002  -0.00327   0.00080  -0.00246   0.01316
   D326      -0.01819  -0.00001  -0.00017   0.00088   0.00071  -0.01748
   D327       3.11573   0.00000  -0.00051   0.00146   0.00095   3.11668
   D328       0.00736  -0.00000  -0.00033   0.00010  -0.00023   0.00714
   D329      -3.14021   0.00000   0.00028  -0.00019   0.00010  -3.14012
   D330      -3.13006   0.00001   0.00061  -0.00042   0.00020  -3.12986
   D331       0.00555   0.00002   0.00122  -0.00070   0.00052   0.00607
   D332      -0.00707  -0.00001  -0.00105   0.00049  -0.00056  -0.00764
   D333       3.13091  -0.00001   0.00035  -0.00006   0.00029   3.13120
   D334       3.14048  -0.00002  -0.00166   0.00077  -0.00088   3.13960
   D335      -0.00472  -0.00001  -0.00026   0.00023  -0.00003  -0.00475
   D336      -0.00504   0.00000   0.00056  -0.00023   0.00033  -0.00472
   D337       3.12993  -0.00001  -0.00070   0.00013  -0.00058   3.12935
   D338       3.14015  -0.00001  -0.00084   0.00032  -0.00052   3.13962
   D339      -0.00807  -0.00002  -0.00210   0.00067  -0.00143  -0.00949
   D340      -0.00521   0.00000   0.00059  -0.00009   0.00050  -0.00472
   D341       3.14057  -0.00001  -0.00054   0.00022  -0.00033   3.14025
   D342       3.12842   0.00000  -0.00045   0.00047   0.00001   3.12844
   D343      -0.00898  -0.00001  -0.00159   0.00078  -0.00081  -0.00978
   D344      -0.00744  -0.00001  -0.00088   0.00054  -0.00034  -0.00779
   D345       3.14068  -0.00002  -0.00143   0.00067  -0.00076   3.13992
   D346       3.12994   0.00000   0.00026   0.00023   0.00048   3.13042
   D347      -0.00512  -0.00001  -0.00029   0.00036   0.00006  -0.00506
   D348       0.00780  -0.00001  -0.00041  -0.00011  -0.00052   0.00728
   D349      -3.12953   0.00001   0.00047  -0.00034   0.00014  -3.12939
   D350      -3.14034   0.00000   0.00014  -0.00024  -0.00010  -3.14045
   D351       0.00552   0.00002   0.00103  -0.00047   0.00056   0.00607
   D352       0.00793  -0.00001  -0.00094   0.00014  -0.00079   0.00714
   D353      -3.14017   0.00001   0.00052  -0.00028   0.00024  -3.13993
   D354      -3.12903   0.00000  -0.00082   0.00014  -0.00067  -3.12970
   D355       0.00606   0.00002   0.00064  -0.00028   0.00036   0.00642
   D356      -0.00785  -0.00000   0.00008   0.00012   0.00020  -0.00766
   D357       3.13000   0.00001   0.00154  -0.00034   0.00120   3.13119
   D358       3.14023  -0.00002  -0.00138   0.00054  -0.00083   3.13939
   D359      -0.00511  -0.00001   0.00009   0.00008   0.00017  -0.00494
   D360      -0.00537   0.00000   0.00058  -0.00007   0.00051  -0.00487
   D361       3.12852   0.00001   0.00113  -0.00017   0.00096   3.12947
   D362       3.13995  -0.00001  -0.00089   0.00040  -0.00049   3.13946
   D363      -0.00935  -0.00000  -0.00034   0.00030  -0.00004  -0.00939
   D364      -0.00529   0.00000   0.00075  -0.00029   0.00046  -0.00483
   D365       3.14060  -0.00001  -0.00046   0.00008  -0.00037   3.14022
   D366       3.12785   0.00000   0.00039   0.00000   0.00039   3.12824
   D367      -0.00945  -0.00001  -0.00082   0.00038  -0.00044  -0.00989
   D368      -0.00810  -0.00000  -0.00019   0.00032   0.00013  -0.00797
   D369       3.14051  -0.00002  -0.00118   0.00043  -0.00075   3.13977
   D370       3.12918   0.00001   0.00102  -0.00005   0.00096   3.13015
   D371      -0.00539  -0.00001   0.00003   0.00006   0.00009  -0.00530
   D372       0.00812  -0.00001  -0.00089   0.00018  -0.00071   0.00741
   D373      -3.12891   0.00001  -0.00017  -0.00018  -0.00035  -3.12926
   D374      -3.14052   0.00001   0.00010   0.00007   0.00017  -3.14035
   D375       0.00564   0.00002   0.00081  -0.00029   0.00052   0.00616
   D376      -0.00788   0.00001   0.00074   0.00010   0.00084  -0.00705
   D377       3.14036  -0.00001  -0.00033   0.00013  -0.00020   3.14016
   D378       3.12918   0.00000   0.00019   0.00044   0.00063   3.12982
   D379      -0.00576  -0.00002  -0.00088   0.00047  -0.00041  -0.00616
   D380       0.00783  -0.00000   0.00030  -0.00059  -0.00029   0.00754
   D381      -3.12988  -0.00001  -0.00097  -0.00018  -0.00115  -3.13103
   D382      -3.14040   0.00002   0.00136  -0.00062   0.00074  -3.13965
   D383       0.00508   0.00001   0.00009  -0.00020  -0.00011   0.00497
   D384       0.00521  -0.00000  -0.00059   0.00010  -0.00049   0.00472
   D385      -3.12874  -0.00001  -0.00025  -0.00048  -0.00072  -3.12946
   D386      -3.14025   0.00001   0.00068  -0.00031   0.00037  -3.13988
   D387       0.00898  -0.00000   0.00102  -0.00089   0.00013   0.00912
   D388       0.00519  -0.00000  -0.00063   0.00015  -0.00048   0.00471
   D389      -3.14022   0.00001   0.00089  -0.00032   0.00057  -3.13965
   D390      -3.12878  -0.00001  -0.00055  -0.00028  -0.00082  -3.12960
   D391       0.00900   0.00000   0.00097  -0.00075   0.00022   0.00922
   D392       0.00775   0.00000   0.00028  -0.00046  -0.00018   0.00757
   D393      -3.14030   0.00002   0.00148  -0.00066   0.00082  -3.13949
   D394      -3.13001  -0.00001  -0.00125   0.00002  -0.00123  -3.13124
   D395       0.00512   0.00001  -0.00004  -0.00019  -0.00023   0.00489
   D396      -0.00780   0.00001   0.00080  -0.00004   0.00077  -0.00703
   D397       3.12950  -0.00001   0.00020   0.00022   0.00042   3.12992
   D398       3.14028  -0.00001  -0.00041   0.00017  -0.00023   3.14004
   D399      -0.00562  -0.00002  -0.00101   0.00043  -0.00058  -0.00619
   D400       1.77497  -0.00051  -0.10800   0.04505  -0.06550   1.70947
   D401      -0.49744  -0.00013  -0.10536   0.04520  -0.06315  -0.56059
   D402      -2.72196  -0.00013  -0.11462   0.05089  -0.06539  -2.78735
   D403      -3.09871   0.00022   0.01756  -0.00073   0.01838  -3.08032
   D404      -0.92345  -0.00001   0.01279   0.00044   0.01299  -0.91045
   D405       1.30551   0.00003   0.02385  -0.00700   0.01552   1.32103
   D406       2.56806   0.00025   0.07483  -0.02370   0.04863   2.61669
   D407      -1.60580   0.00038   0.08200  -0.02637   0.05100  -1.55480
   D408       0.44061   0.00015   0.06995  -0.02186   0.04552   0.48613
   D409       2.98071   0.00005   0.01583  -0.00190   0.01393   2.99464
   D410      -1.19314   0.00006   0.01648  -0.00224   0.01425  -1.17890
   D411       0.86514   0.00002   0.01500  -0.00194   0.01305   0.87819
   D412       3.10166   0.00001   0.00603  -0.00182   0.00404   3.10570
   D413      -1.09602   0.00002   0.00545  -0.00135   0.00393  -1.09209
   D414       1.01654   0.00002   0.00724  -0.00230   0.00478   1.02132
   D415       1.04609  -0.00005   0.00367  -0.00209   0.00277   1.04885
   D416       3.13159  -0.00004   0.00309  -0.00162   0.00266   3.13425
   D417      -1.03903  -0.00004   0.00489  -0.00257   0.00350  -1.03553
   D418      -1.09304   0.00004   0.00359  -0.00058   0.00199  -1.09105
   D419       0.99246   0.00004   0.00301  -0.00011   0.00188   0.99434
   D420       3.10503   0.00004   0.00480  -0.00106   0.00272   3.10775
   D421       1.26097   0.00018   0.09344  -0.04312   0.04936   1.31033
   D422      -2.96121   0.00004   0.09332  -0.04253   0.05010  -2.91111
   D423      -0.78640   0.00019   0.10208  -0.04704   0.05510  -0.73129
   D424      -1.34519  -0.00016  -0.07881   0.03453  -0.04348  -1.38867
   D425       2.85897  -0.00001  -0.07633   0.03339  -0.04326   2.81572
   D426       0.68594  -0.00016  -0.08509   0.03811  -0.04677   0.63917
   D427       1.04706   0.00001   0.00129   0.00010   0.00140   1.04845
   D428       3.13683   0.00000   0.00094   0.00036   0.00130   3.13813
   D429      -1.05819   0.00001   0.00101   0.00027   0.00129  -1.05690
   D430      -1.02642  -0.00001   0.00069   0.00035   0.00104  -1.02537
   D431       1.06336  -0.00001   0.00033   0.00061   0.00094   1.06430
   D432      -3.13166  -0.00000   0.00041   0.00052   0.00093  -3.13072
   D433       3.12745  -0.00001   0.00105   0.00009   0.00114   3.12860
   D434      -1.06596  -0.00001   0.00069   0.00035   0.00104  -1.06492
   D435       1.02221  -0.00000   0.00077   0.00026   0.00103   1.02324
   D436      -1.23406  -0.00003  -0.10069   0.04362  -0.05539  -1.28945
   D437      -1.16211   0.00003  -0.09579   0.04273  -0.05288  -1.21499
   D438       0.43175  -0.00002  -0.04728   0.02000  -0.02441   0.40735
   D439       1.20698   0.00008  -0.04225   0.01894  -0.02404   1.18294
   D440       0.99878  -0.00010  -0.03154   0.01392  -0.01929   0.97949
   D441      -0.41373   0.00001   0.04633  -0.02015   0.02474  -0.38899
         Item               Value     Threshold  Converged?
 Maximum Force            0.002079     0.000450     NO 
 RMS     Force            0.000130     0.000300     YES
 Maximum Displacement     0.539574     0.001800     NO 
 RMS     Displacement     0.077078     0.001200     NO 
 Predicted change in Energy=-5.807410D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.779163    2.874975    0.466796
      2          6           0       -2.030399    1.502517    0.585428
      3          6           0       -0.995704    0.558167    0.597807
      4          6           0        0.337437    1.015131    0.530571
      5          6           0        0.596983    2.383600    0.380113
      6          6           0       -0.442244    3.299650    0.344752
      7          6           0       -1.239931   -0.896604    0.577599
      8          6           0       -0.179356   -1.799476    0.849249
      9          6           0        1.134308   -1.252210    1.292778
     10          6           0        1.452710    0.066821    0.666819
     11          6           0       -2.470008   -1.410441    0.150852
     12          6           0       -2.684075   -2.779764   -0.050595
     13          6           0       -1.593907   -3.644293    0.132020
     14          6           0       -0.368057   -3.158676    0.562307
     15          7           0        2.219341   -2.143697    1.469324
     16          6           0        3.527899   -1.724771    1.086090
     17          6           0        3.693388   -0.444613    0.506112
     18          7           0        2.641033    0.431430    0.317512
     19          6           0        4.662289   -2.544009    1.199787
     20          6           0        5.905998   -2.097411    0.774666
     21          6           0        6.090915   -0.821940    0.207105
     22          6           0        4.960673   -0.017805    0.079943
     23          6           0       -2.891849    3.854724    0.471178
     24          6           0       -4.005000   -3.284927   -0.491885
     25          6           0        7.426561   -0.359403   -0.239202
     26          6           0       -4.112535   -4.358218   -1.392840
     27          6           0       -5.352905   -4.826790   -1.813703
     28          6           0       -6.529497   -4.243200   -1.326183
     29          6           0       -6.439446   -3.178986   -0.419754
     30          6           0       -5.194504   -2.704605   -0.019098
     31          6           0       -2.751937    5.106193    1.095388
     32          6           0       -3.795331    6.026307    1.113268
     33          6           0       -5.010786    5.726067    0.485236
     34          6           0       -5.163029    4.487347   -0.150731
     35          6           0       -4.120446    3.566216   -0.147357
     36          6           0        8.353353   -1.250419   -0.806294
     37          6           0        9.604185   -0.817281   -1.235300
     38          6           0        9.971977    0.526408   -1.091761
     39          6           0        9.062745    1.425745   -0.520377
     40          6           0        7.808081    0.986843   -0.109529
     41          7           0       -6.074112    6.664471    0.492137
     42          7           0       -7.795852   -4.724136   -1.745056
     43          7           0       11.249397    0.970662   -1.519466
     44          6           0       -8.230806   -6.054563   -1.679428
     45          6           0       -9.549752   -6.133516   -2.193918
     46          6           0       -9.927825   -4.792897   -2.590106
     47          6           0       -8.825102   -3.950655   -2.298348
     48          6           0       -7.383031    6.417447    0.926938
     49          6           0       -8.149567    7.600699    0.775525
     50          6           0       -7.266139    8.606335    0.223042
     51          6           0       -5.996316    7.995945    0.062781
     52          6           0       11.496157    2.028936   -2.403913
     53          6           0       12.896443    2.162247   -2.583176
     54          6           0       13.523611    1.141295   -1.769980
     55          6           0       12.479810    0.425553   -1.130386
     56          6           0      -11.079214   -4.246766   -3.168599
     57          6           0      -11.115025   -2.884892   -3.452212
     58          6           0      -10.007607   -2.067365   -3.170504
     59          6           0       -8.849487   -2.585108   -2.594540
     60          6           0       -7.575011   -7.179764   -1.172509
     61          6           0       -8.253601   -8.396046   -1.207744
     62          6           0       -9.554937   -8.494916   -1.728162
     63          6           0      -10.208418   -7.368092   -2.217740
     64          6           0       -7.442468    9.942123   -0.155353
     65          6           0       -6.365650   10.643587   -0.689097
     66          6           0       -5.118183   10.018762   -0.855272
     67          6           0       -4.915228    8.690647   -0.486624
     68          6           0       -7.932884    5.255017    1.474304
     69          6           0       -9.274175    5.287055    1.849628
     70          6           0      -10.052382    6.446270    1.691906
     71          6           0       -9.495103    7.605341    1.160458
     72          6           0       14.854968    0.787629   -1.522886
     73          6           0       15.127405   -0.258492   -0.646564
     74          6           0       14.081389   -0.947356   -0.009708
     75          6           0       12.747525   -0.616180   -0.238007
     76          6           0       10.590535    2.849010   -3.082546
     77          6           0       11.109770    3.823907   -3.931593
     78          6           0       12.494884    3.979677   -4.109206
     79          6           0       13.391234    3.150360   -3.441985
     80          8           0        0.697791   -3.608929    3.237000
     81         15           0        2.046871   -3.433339    2.671511
     82          8           0        3.236298   -3.201603    3.717125
     83          8           0        2.610450   -4.656985    1.787100
     84          6           0        3.019888   -2.499537    4.985244
     85          6           0        3.996123   -3.063081    5.997225
     86          6           0        2.584988   -5.993885    2.369153
     87          6           0        2.962983   -6.979306    1.281815
     88          1           0       -3.054967    1.171972    0.711019
     89          1           0        1.628791    2.707535    0.308859
     90          1           0       -0.223553    4.355006    0.217155
     91          1           0       -3.266597   -0.722177   -0.104944
     92          1           0       -1.709715   -4.708374   -0.044976
     93          1           0        0.456597   -3.851803    0.645884
     94          1           0        4.583671   -3.536315    1.615042
     95          1           0        6.760659   -2.753528    0.905548
     96          1           0        5.011538    0.963700   -0.378406
     97          1           0       -3.212659   -4.805233   -1.803432
     98          1           0       -5.417306   -5.631761   -2.537963
     99          1           0       -7.347299   -2.743901   -0.015790
    100          1           0       -5.143371   -1.899076    0.706857
    101          1           0       -1.827386    5.345492    1.611287
    102          1           0       -3.682315    6.971934    1.632627
    103          1           0       -6.091440    4.262172   -0.664698
    104          1           0       -4.247638    2.623100   -0.669687
    105          1           0        8.076990   -2.290052   -0.952534
    106          1           0       10.293409   -1.511877   -1.703658
    107          1           0        9.353065    2.461606   -0.380756
    108          1           0        7.126872    1.692883    0.355072
    109          1           0      -11.931650   -4.880233   -3.396644
    110          1           0      -12.002844   -2.449025   -3.899667
    111          1           0      -10.050971   -1.008526   -3.407987
    112          1           0       -7.995521   -1.948864   -2.391000
    113          1           0       -6.575588   -7.110617   -0.757980
    114          1           0       -7.763940   -9.284788   -0.820668
    115          1           0      -10.054807   -9.458447   -1.742156
    116          1           0      -11.218756   -7.443115   -2.609562
    117          1           0       -8.409638   10.422360   -0.037303
    118          1           0       -6.489286   11.680719   -0.984985
    119          1           0       -4.292216   10.579712   -1.282575
    120          1           0       -3.952184    8.213361   -0.628847
    121          1           0       -7.336732    4.359795    1.611042
    122          1           0       -9.724051    4.395355    2.276174
    123          1           0      -11.095266    6.436743    1.993187
    124          1           0      -10.094116    8.504678    1.049323
    125          1           0       15.664376    1.326966   -2.006565
    126          1           0       16.155942   -0.543194   -0.447711
    127          1           0       14.314279   -1.754596    0.678519
    128          1           0       11.946928   -1.145682    0.266252
    129          1           0        9.519978    2.728789   -2.960081
    130          1           0       10.425676    4.474490   -4.468444
    131          1           0       12.866176    4.750862   -4.776951
    132          1           0       14.461608    3.264178   -3.588003
    133          1           0        3.185804   -1.436548    4.799543
    134          1           0        1.979660   -2.639210    5.285123
    135          1           0        3.881485   -2.530085    6.946442
    136          1           0        3.809834   -4.126071    6.175579
    137          1           0        5.028644   -2.941262    5.657899
    138          1           0        3.295789   -6.020681    3.201797
    139          1           0        1.580674   -6.184031    2.758880
    140          1           0        3.963064   -6.769366    0.892827
    141          1           0        2.956732   -7.995404    1.688304
    142          1           0        2.252016   -6.934520    0.452483
    143         17           0        0.795199   -0.388451    3.309567
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0180592           0.0073672           0.0057654
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13517.0514225109 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.68D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    0.999997   -0.000739   -0.000275    0.002126 Ang=  -0.26 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.68029626     A.U. after   13 cycles
            NFock= 13  Conv=0.27D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000105749   -0.000234731    0.000019360
      2        6           0.000160553    0.000089688   -0.000062571
      3        6           0.000363272    0.000094330    0.000034124
      4        6          -0.000306131   -0.000328711    0.000048718
      5        6           0.000088042   -0.000080343    0.000040048
      6        6          -0.000039118    0.000111223   -0.000028162
      7        6          -0.000012591    0.000061471    0.000121489
      8        6           0.000726103    0.001004739    0.000291234
      9        6           0.000531601   -0.000514951    0.001631401
     10        6           0.000556827   -0.001256015   -0.000133084
     11        6           0.000220864    0.000175705    0.000075228
     12        6           0.000131607    0.000117626    0.000082779
     13        6          -0.000089592   -0.000049104   -0.000070172
     14        6           0.000213801    0.000036259    0.000193532
     15        7          -0.001380408    0.001488295   -0.000041657
     16        6          -0.000624201    0.000202833   -0.000196250
     17        6          -0.000526252   -0.000035336    0.000044161
     18        7           0.000524968   -0.000200456    0.000108302
     19        6          -0.000052645    0.000048091   -0.000017161
     20        6           0.000034831   -0.000019801    0.000006485
     21        6          -0.000108242   -0.000040300   -0.000000817
     22        6           0.000107669   -0.000131368   -0.000024775
     23        6          -0.000279546    0.000089546   -0.000041130
     24        6          -0.000138855   -0.000128644   -0.000065929
     25        6           0.000100857    0.000099502   -0.000014146
     26        6          -0.000016043    0.000071956    0.000001404
     27        6           0.000034551    0.000056574    0.000042917
     28        6          -0.000133114   -0.000079930   -0.000033292
     29        6           0.000049173   -0.000001395    0.000005187
     30        6          -0.000005305   -0.000000095    0.000050833
     31        6           0.000096711   -0.000031862    0.000015655
     32        6          -0.000005938   -0.000053690    0.000014219
     33        6          -0.000033137   -0.000000295   -0.000017305
     34        6           0.000018093    0.000059765   -0.000013952
     35        6           0.000096575   -0.000032051    0.000024404
     36        6          -0.000020438   -0.000024267   -0.000018593
     37        6          -0.000074608   -0.000018273   -0.000015746
     38        6           0.000061388    0.000066155   -0.000004191
     39        6           0.000002060   -0.000054520    0.000011771
     40        6          -0.000024607   -0.000006709    0.000011247
     41        7          -0.000223374    0.000083210    0.000013619
     42        7           0.000002194   -0.000008976   -0.000048484
     43        7           0.000131886    0.000093585   -0.000071030
     44        6           0.000035700    0.000079905    0.000002478
     45        6          -0.000044804    0.000076533    0.000049257
     46        6           0.000079980   -0.000040975   -0.000030938
     47        6           0.000083880   -0.000018257    0.000077529
     48        6           0.000210443    0.000081211    0.000031218
     49        6           0.000040839    0.000100744    0.000026445
     50        6          -0.000042957   -0.000103305   -0.000038570
     51        6           0.000077690   -0.000188940   -0.000045397
     52        6          -0.000035252   -0.000174651    0.000055853
     53        6           0.000054799   -0.000087502   -0.000004723
     54        6          -0.000069205    0.000087697    0.000012644
     55        6          -0.000182815    0.000035596    0.000040474
     56        6          -0.000060085   -0.000031893    0.000023433
     57        6           0.000004607   -0.000003229   -0.000031026
     58        6           0.000039643    0.000071241    0.000055968
     59        6          -0.000039813   -0.000025468   -0.000057738
     60        6          -0.000067105   -0.000049377    0.000008282
     61        6           0.000098065    0.000031170    0.000006987
     62        6          -0.000015620   -0.000001666    0.000020746
     63        6          -0.000026413   -0.000023324   -0.000061048
     64        6          -0.000033153    0.000048859    0.000037801
     65        6          -0.000023077   -0.000009527   -0.000009253
     66        6           0.000116792   -0.000009930    0.000026429
     67        6          -0.000056802    0.000038657   -0.000010448
     68        6          -0.000066057    0.000006085    0.000023917
     69        6           0.000077932   -0.000081988   -0.000024935
     70        6          -0.000003164    0.000019514    0.000018659
     71        6          -0.000052999   -0.000003832   -0.000040297
     72        6           0.000051058   -0.000007677   -0.000047904
     73        6          -0.000000811    0.000019752    0.000006714
     74        6          -0.000056067   -0.000097836    0.000014643
     75        6           0.000070757    0.000023192    0.000007393
     76        6           0.000045224    0.000043701   -0.000041052
     77        6          -0.000105385   -0.000022847    0.000039541
     78        6           0.000018423   -0.000011132   -0.000015000
     79        6           0.000024935    0.000058687    0.000017842
     80        8           0.000184590    0.000045558   -0.000000070
     81       15          -0.000364057   -0.000077959    0.000290635
     82        8           0.000230227   -0.000451537   -0.000696084
     83        8          -0.000015545    0.000344758   -0.000116099
     84        6          -0.000301104    0.000438516   -0.000135723
     85        6           0.000044022   -0.000206758   -0.000139434
     86        6           0.000041711    0.000001700    0.000059364
     87        6          -0.000030854    0.000016659    0.000041553
     88        1          -0.000066104   -0.000049759    0.000026714
     89        1          -0.000011242    0.000001909   -0.000030425
     90        1           0.000036084    0.000004912   -0.000012678
     91        1          -0.000047148    0.000030021   -0.000030457
     92        1           0.000050311    0.000007556   -0.000043768
     93        1          -0.000001063    0.000007239    0.000058610
     94        1           0.000003306   -0.000062588    0.000041735
     95        1          -0.000018333   -0.000020738    0.000046189
     96        1          -0.000042757   -0.000016145    0.000008035
     97        1           0.000012865   -0.000037572   -0.000009086
     98        1           0.000014644   -0.000008596   -0.000018965
     99        1          -0.000009635    0.000009981    0.000012397
    100        1          -0.000037250   -0.000056720   -0.000010167
    101        1          -0.000031679   -0.000003008    0.000026621
    102        1           0.000001688    0.000040184   -0.000007643
    103        1          -0.000013865   -0.000023916    0.000012822
    104        1          -0.000006567    0.000018502   -0.000031904
    105        1           0.000017712    0.000004733   -0.000013603
    106        1           0.000009799   -0.000016209    0.000009877
    107        1          -0.000012292    0.000021794   -0.000004325
    108        1           0.000036599    0.000016124    0.000010256
    109        1          -0.000012229    0.000017474   -0.000021715
    110        1          -0.000018580   -0.000012257    0.000010266
    111        1          -0.000003768   -0.000003776   -0.000023535
    112        1          -0.000009346    0.000013682    0.000019041
    113        1           0.000028644   -0.000005009   -0.000005939
    114        1          -0.000015299   -0.000009292    0.000013438
    115        1          -0.000010155   -0.000007365   -0.000020490
    116        1           0.000001295   -0.000025883    0.000014770
    117        1           0.000000949    0.000026923   -0.000019933
    118        1          -0.000017115    0.000008008    0.000007069
    119        1          -0.000018795    0.000006145   -0.000022704
    120        1           0.000022871   -0.000000701    0.000032486
    121        1           0.000006847   -0.000011451   -0.000033269
    122        1          -0.000019469    0.000009453    0.000019982
    123        1          -0.000017801    0.000006588   -0.000010112
    124        1          -0.000019585   -0.000019202    0.000022904
    125        1           0.000024296   -0.000004501    0.000025650
    126        1           0.000013411    0.000008783   -0.000013232
    127        1           0.000015959    0.000021005    0.000013696
    128        1           0.000008105   -0.000014967   -0.000017891
    129        1          -0.000013361    0.000011260    0.000026081
    130        1           0.000015974    0.000001738   -0.000024597
    131        1           0.000015797    0.000013443    0.000004840
    132        1          -0.000008987    0.000016082   -0.000029179
    133        1          -0.000170004    0.000030330   -0.000026355
    134        1           0.000023280   -0.000016541    0.000253923
    135        1           0.000010308   -0.000003893   -0.000007497
    136        1           0.000017298   -0.000011024    0.000011333
    137        1           0.000005308    0.000012738   -0.000003653
    138        1          -0.000002194   -0.000003561   -0.000019114
    139        1          -0.000003055    0.000001752   -0.000030359
    140        1           0.000003088    0.000005517    0.000004545
    141        1           0.000009637   -0.000014508   -0.000005196
    142        1           0.000003942   -0.000014768   -0.000016193
    143       17           0.000044255   -0.000558785   -0.001589033
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001631401 RMS     0.000204560

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001973451 RMS     0.000134661
 Search for a local minimum.
 Step number  19 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   16   17   18   19
 DE=  8.01D-06 DEPred=-5.81D-06 R=-1.38D+00
 Trust test=-1.38D+00 RLast= 3.83D-01 DXMaxT set to 1.20D+00
 ITU= -1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00162   0.00417   0.00420   0.00628   0.00847
     Eigenvalues ---    0.01404   0.01613   0.01855   0.01992   0.02551
     Eigenvalues ---    0.02607   0.02611   0.02659   0.02686   0.02703
     Eigenvalues ---    0.02708   0.02713   0.02716   0.02724   0.02727
     Eigenvalues ---    0.02729   0.02732   0.02740   0.02746   0.02751
     Eigenvalues ---    0.02768   0.02770   0.02771   0.02774   0.02775
     Eigenvalues ---    0.02779   0.02782   0.02785   0.02786   0.02789
     Eigenvalues ---    0.02789   0.02791   0.02791   0.02792   0.02792
     Eigenvalues ---    0.02793   0.02793   0.02794   0.02797   0.02801
     Eigenvalues ---    0.02802   0.02803   0.02804   0.02805   0.02806
     Eigenvalues ---    0.02807   0.02807   0.02808   0.02808   0.02810
     Eigenvalues ---    0.02811   0.02812   0.02817   0.02817   0.02818
     Eigenvalues ---    0.02818   0.02818   0.02819   0.02819   0.02820
     Eigenvalues ---    0.02827   0.02833   0.02842   0.02844   0.02845
     Eigenvalues ---    0.02845   0.02846   0.02847   0.02847   0.02852
     Eigenvalues ---    0.02854   0.02863   0.02864   0.02868   0.02868
     Eigenvalues ---    0.02869   0.02870   0.02872   0.02873   0.02876
     Eigenvalues ---    0.02877   0.02878   0.02878   0.02879   0.02880
     Eigenvalues ---    0.02884   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02886   0.02886   0.02886   0.02887
     Eigenvalues ---    0.02892   0.02893   0.02896   0.02897   0.02898
     Eigenvalues ---    0.02899   0.02899   0.02900   0.02902   0.02907
     Eigenvalues ---    0.02910   0.02911   0.02935   0.02941   0.02942
     Eigenvalues ---    0.02972   0.02998   0.03024   0.03024   0.03026
     Eigenvalues ---    0.03133   0.03133   0.03134   0.03135   0.03142
     Eigenvalues ---    0.03148   0.03177   0.03276   0.03406   0.03618
     Eigenvalues ---    0.04114   0.04698   0.04860   0.05375   0.05535
     Eigenvalues ---    0.05578   0.05600   0.05637   0.05728   0.05756
     Eigenvalues ---    0.07477   0.08984   0.09344   0.10489   0.11368
     Eigenvalues ---    0.11429   0.11876   0.12908   0.13660   0.15183
     Eigenvalues ---    0.15581   0.15758   0.15924   0.15970   0.15981
     Eigenvalues ---    0.15985   0.15986   0.15986   0.15988   0.15991
     Eigenvalues ---    0.15993   0.15996   0.15996   0.15997   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16001   0.16001
     Eigenvalues ---    0.16004   0.16011   0.16030   0.16054   0.16113
     Eigenvalues ---    0.16222   0.16798   0.17619   0.18800   0.20370
     Eigenvalues ---    0.20857   0.21989   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22001   0.22002
     Eigenvalues ---    0.22035   0.22398   0.22444   0.22496   0.22600
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22602   0.22699
     Eigenvalues ---    0.22961   0.22967   0.23014   0.23201   0.23412
     Eigenvalues ---    0.23480   0.23543   0.23749   0.23999   0.24014
     Eigenvalues ---    0.24188   0.24482   0.24486   0.24486   0.24493
     Eigenvalues ---    0.24531   0.24536   0.24736   0.24886   0.24975
     Eigenvalues ---    0.24983   0.24984   0.24984   0.24984   0.24985
     Eigenvalues ---    0.24993   0.24997   0.24998   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25001   0.25010   0.25014
     Eigenvalues ---    0.25053   0.25118   0.25393   0.26389   0.27754
     Eigenvalues ---    0.28139   0.28986   0.29763   0.29788   0.30509
     Eigenvalues ---    0.32016   0.32098   0.32128   0.32141   0.32147
     Eigenvalues ---    0.32150   0.32177   0.32217   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33293   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33459   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33584   0.33586   0.33595   0.33632   0.33636
     Eigenvalues ---    0.33639   0.33642   0.33646   0.33663   0.33700
     Eigenvalues ---    0.33722   0.33738   0.33820   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33897   0.33920   0.33941
     Eigenvalues ---    0.33947   0.33954   0.33959   0.34342   0.34469
     Eigenvalues ---    0.34829   0.34917   0.35047   0.38420   0.41596
     Eigenvalues ---    0.42572   0.42976   0.44429   0.44436   0.44440
     Eigenvalues ---    0.44481   0.45783   0.47047   0.48735   0.48967
     Eigenvalues ---    0.48972   0.49148   0.49274   0.49535   0.49797
     Eigenvalues ---    0.49812   0.49846   0.49882   0.49939   0.49981
     Eigenvalues ---    0.50061   0.50183   0.50404   0.50408   0.50610
     Eigenvalues ---    0.50613   0.50615   0.50882   0.51444   0.51854
     Eigenvalues ---    0.52172   0.52313   0.52595   0.52841   0.53616
     Eigenvalues ---    0.54092   0.54112   0.54199   0.54201   0.54206
     Eigenvalues ---    0.54336   0.54512   0.55091   0.55145   0.55295
     Eigenvalues ---    0.55331   0.55343   0.55358   0.55389   0.55415
     Eigenvalues ---    0.55450   0.55523   0.55582   0.55606   0.55682
     Eigenvalues ---    0.55704   0.55708   0.55761   0.55939   0.55947
     Eigenvalues ---    0.55974   0.56147   0.56152   0.56153   0.56249
     Eigenvalues ---    0.56270   0.56309   0.56378   0.56662   0.56664
     Eigenvalues ---    0.56668   0.56670   0.56672   0.56682   0.56821
     Eigenvalues ---    0.56901   0.56915   0.56966   0.57121   0.57174
     Eigenvalues ---    0.57178   0.57190   0.57195   0.57209   0.57627
     Eigenvalues ---    0.61610   0.62536   0.66054   0.66065   0.67645
     Eigenvalues ---    0.67657   0.67661   0.68990   0.70036   0.70088
     Eigenvalues ---    0.73436   0.76002   0.80040
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    19   18   17   16   15   14   13   12   11   10
 RFO step:  Lambda=-2.83198913D-04.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 RFO-DIIS uses    8 points instead of   10
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did     3 forward-backward iterations
 DidBck=T Rises=T En-DIIS coefs:    0.46145    0.49673    0.00000    0.04183    0.00000
                  En-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.07304514 RMS(Int)=  0.00031754
 Iteration  2 RMS(Cart)=  0.00171258 RMS(Int)=  0.00004833
 Iteration  3 RMS(Cart)=  0.00000042 RMS(Int)=  0.00004833
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64618  -0.00011   0.00003   0.00122   0.00126   2.64744
    R2        2.66082   0.00008   0.00019  -0.00042  -0.00021   2.66061
    R3        2.80164   0.00021  -0.00066   0.00057  -0.00009   2.80155
    R4        2.64733  -0.00010  -0.00041  -0.00094  -0.00136   2.64598
    R5        2.04822   0.00008   0.00045  -0.00020   0.00025   2.04847
    R6        2.66619  -0.00053  -0.00041  -0.00043  -0.00094   2.66525
    R7        2.78785  -0.00037  -0.00004   0.00175   0.00165   2.78950
    R8        2.64744  -0.00001  -0.00000  -0.00071  -0.00071   2.64673
    R9        2.77840  -0.00006   0.00060   0.00065   0.00123   2.77963
   R10        2.61875   0.00009   0.00044   0.00052   0.00097   2.61972
   R11        2.04810  -0.00001   0.00002   0.00022   0.00024   2.04834
   R12        2.05093   0.00000   0.00009  -0.00018  -0.00009   2.05083
   R13        2.68167  -0.00028  -0.00123  -0.00133  -0.00253   2.67914
   R14        2.64510  -0.00020  -0.00033  -0.00020  -0.00054   2.64456
   R15        2.81685  -0.00151   0.00474   0.01100   0.01582   2.83267
   R16        2.64924  -0.00008  -0.00128  -0.00228  -0.00355   2.64568
   R17        2.82389  -0.00088   0.00416   0.01065   0.01497   2.83886
   R18        2.67462  -0.00197  -0.00008   0.01538   0.01521   2.68983
   R19        4.19524  -0.00100  -0.07653  -0.11700  -0.19359   4.00165
   R20        2.43992  -0.00002  -0.00150  -0.00403  -0.00550   2.43442
   R21        2.64660   0.00008  -0.00006   0.00071   0.00065   2.64724
   R22        2.04727   0.00006   0.00036   0.00004   0.00040   2.04767
   R23        2.65184   0.00004  -0.00116  -0.00024  -0.00141   2.65043
   R24        2.79958   0.00023   0.00137  -0.00101   0.00035   2.79993
   R25        2.62099   0.00007   0.00143   0.00092   0.00235   2.62334
   R26        2.05016   0.00001   0.00020  -0.00016   0.00005   2.05021
   R27        2.04184  -0.00000  -0.00011  -0.00030  -0.00041   2.04143
   R28        2.69556  -0.00055   0.00108   0.00165   0.00270   2.69826
   R29        3.34763  -0.00034  -0.00143  -0.01287  -0.01430   3.33333
   R30        5.50801  -0.00074  -0.04603  -0.07208  -0.11803   5.38998
   R31        2.67419  -0.00064  -0.00176  -0.00093  -0.00281   2.67138
   R32        2.65297  -0.00001  -0.00037  -0.00071  -0.00108   2.65190
   R33        2.61198  -0.00088   0.00073   0.00411   0.00475   2.61673
   R34        2.65222   0.00002  -0.00042  -0.00185  -0.00227   2.64995
   R35        2.62324  -0.00003   0.00059   0.00084   0.00144   2.62468
   R36        2.03818   0.00007  -0.00004   0.00008   0.00004   2.03822
   R37        2.66119   0.00001  -0.00083  -0.00118  -0.00200   2.65920
   R38        2.05108  -0.00000   0.00012  -0.00011   0.00001   2.05109
   R39        2.63225  -0.00001   0.00014   0.00150   0.00165   2.63391
   R40        2.80106   0.00015   0.00020  -0.00037  -0.00017   2.80089
   R41        2.04931  -0.00001   0.00011  -0.00011  -0.00000   2.04931
   R42        2.65598  -0.00001  -0.00006   0.00020   0.00014   2.65612
   R43        2.65591  -0.00005  -0.00011   0.00026   0.00015   2.65606
   R44        2.65588  -0.00003  -0.00064   0.00060  -0.00004   2.65584
   R45        2.65587   0.00005  -0.00043   0.00039  -0.00004   2.65583
   R46        2.65535   0.00001  -0.00027   0.00039   0.00012   2.65547
   R47        2.65555   0.00001  -0.00028   0.00040   0.00012   2.65567
   R48        2.62883  -0.00001   0.00027  -0.00019   0.00008   2.62891
   R49        2.05119   0.00002   0.00025  -0.00030  -0.00005   2.05114
   R50        2.64738   0.00003   0.00009  -0.00030  -0.00021   2.64718
   R51        2.04988   0.00002   0.00006  -0.00011  -0.00005   2.04983
   R52        2.64715   0.00001   0.00018  -0.00038  -0.00020   2.64695
   R53        2.67942  -0.00005  -0.00038   0.00082   0.00044   2.67986
   R54        2.62899   0.00001   0.00026  -0.00017   0.00009   2.62908
   R55        2.04988   0.00001   0.00003  -0.00007  -0.00004   2.04984
   R56        2.05147  -0.00004   0.00006  -0.00011  -0.00005   2.05141
   R57        2.62910   0.00004  -0.00003  -0.00003  -0.00005   2.62905
   R58        2.05121  -0.00001   0.00008  -0.00017  -0.00009   2.05112
   R59        2.64690   0.00003   0.00040  -0.00034   0.00006   2.64696
   R60        2.04991   0.00003   0.00001  -0.00011  -0.00010   2.04981
   R61        2.64701  -0.00000   0.00038  -0.00033   0.00005   2.64705
   R62        2.68002   0.00004  -0.00098   0.00060  -0.00038   2.67964
   R63        2.62901   0.00004  -0.00004  -0.00007  -0.00011   2.62890
   R64        2.04999   0.00001  -0.00004  -0.00008  -0.00011   2.04988
   R65        2.05144   0.00000   0.00008  -0.00020  -0.00012   2.05132
   R66        2.62953   0.00000   0.00009  -0.00006   0.00003   2.62956
   R67        2.05155  -0.00000   0.00013  -0.00021  -0.00008   2.05147
   R68        2.64654   0.00005   0.00035  -0.00046  -0.00011   2.64644
   R69        2.05003   0.00001   0.00001  -0.00008  -0.00007   2.04995
   R70        2.64696   0.00001   0.00032  -0.00044  -0.00011   2.64684
   R71        2.68055   0.00002  -0.00077   0.00105   0.00029   2.68083
   R72        2.62911   0.00001   0.00008  -0.00010  -0.00002   2.62909
   R73        2.04997   0.00002   0.00003  -0.00009  -0.00006   2.04991
   R74        2.05137  -0.00002   0.00009  -0.00015  -0.00007   2.05130
   R75        2.64787  -0.00015   0.00003   0.00014   0.00017   2.64804
   R76        2.64779  -0.00014   0.00005   0.00010   0.00015   2.64794
   R77        2.64800  -0.00003  -0.00032  -0.00005  -0.00037   2.64763
   R78        2.64815  -0.00005  -0.00021  -0.00020  -0.00042   2.64774
   R79        2.64769  -0.00012   0.00001  -0.00028  -0.00027   2.64742
   R80        2.64727  -0.00009   0.00001  -0.00028  -0.00027   2.64700
   R81        2.67952   0.00003   0.00016  -0.00005   0.00011   2.67963
   R82        2.64096   0.00003   0.00022  -0.00019   0.00003   2.64099
   R83        2.73662  -0.00003  -0.00013   0.00005  -0.00009   2.73654
   R84        2.64466   0.00006   0.00011  -0.00007   0.00004   2.64470
   R85        2.67948   0.00002   0.00016  -0.00008   0.00008   2.67956
   R86        2.64468   0.00007   0.00014  -0.00010   0.00004   2.64472
   R87        2.64092   0.00003   0.00025  -0.00024   0.00001   2.64093
   R88        2.67954   0.00005   0.00012  -0.00019  -0.00007   2.67947
   R89        2.64102   0.00003   0.00032  -0.00030   0.00002   2.64103
   R90        2.73651  -0.00003  -0.00017   0.00009  -0.00008   2.73643
   R91        2.64471   0.00007   0.00009  -0.00009  -0.00001   2.64471
   R92        2.67962   0.00004   0.00008  -0.00013  -0.00005   2.67957
   R93        2.64467   0.00007   0.00008  -0.00010  -0.00002   2.64466
   R94        2.64103   0.00002   0.00025  -0.00022   0.00003   2.64106
   R95        2.67962   0.00004   0.00009  -0.00002   0.00008   2.67970
   R96        2.64103   0.00003   0.00026  -0.00021   0.00005   2.64109
   R97        2.73650  -0.00003  -0.00019   0.00009  -0.00010   2.73639
   R98        2.64476   0.00007   0.00008  -0.00005   0.00003   2.64479
   R99        2.67974   0.00004   0.00014  -0.00008   0.00006   2.67980
   R100       2.64470   0.00007   0.00008  -0.00005   0.00003   2.64474
   R101       2.64104   0.00005   0.00028  -0.00021   0.00007   2.64111
   R102       2.62965   0.00002  -0.00014   0.00012  -0.00002   2.62963
   R103       2.05271  -0.00000  -0.00001   0.00001   0.00001   2.05271
   R104       2.65511   0.00004   0.00023  -0.00021   0.00002   2.65513
   R105       2.05139   0.00001  -0.00000   0.00001   0.00001   2.05140
   R106       2.63279  -0.00002  -0.00019   0.00016  -0.00003   2.63276
   R107       2.05226   0.00000  -0.00001   0.00001  -0.00000   2.05226
   R108       2.04884   0.00001  -0.00003  -0.00002  -0.00005   2.04880
   R109       2.63281  -0.00003  -0.00020   0.00016  -0.00004   2.63277
   R110       2.04882   0.00002   0.00003  -0.00008  -0.00006   2.04876
   R111       2.65511   0.00004   0.00024  -0.00022   0.00003   2.65513
   R112       2.05230   0.00000  -0.00001   0.00001  -0.00000   2.05229
   R113       2.62968   0.00002  -0.00012   0.00009  -0.00003   2.62964
   R114       2.05142   0.00001  -0.00000   0.00001   0.00001   2.05143
   R115       2.05271   0.00000  -0.00001   0.00001   0.00001   2.05272
   R116       2.62969   0.00001  -0.00015   0.00011  -0.00003   2.62965
   R117       2.05275   0.00000  -0.00001   0.00000  -0.00001   2.05274
   R118       2.65518   0.00006   0.00018  -0.00025  -0.00007   2.65511
   R119       2.05144   0.00001  -0.00001   0.00000  -0.00001   2.05144
   R120       2.63275  -0.00002  -0.00018   0.00020   0.00002   2.63277
   R121       2.05231   0.00000  -0.00002   0.00001  -0.00002   2.05229
   R122       2.04883   0.00002  -0.00003  -0.00007  -0.00011   2.04873
   R123       2.63273  -0.00002  -0.00018   0.00020   0.00002   2.63275
   R124       2.04886   0.00001  -0.00007  -0.00004  -0.00011   2.04876
   R125       2.65522   0.00005   0.00017  -0.00024  -0.00007   2.65515
   R126       2.05230   0.00000  -0.00002   0.00000  -0.00002   2.05228
   R127       2.62967   0.00002  -0.00016   0.00013  -0.00003   2.62964
   R128       2.05143   0.00001  -0.00001   0.00000  -0.00001   2.05143
   R129       2.05275   0.00000  -0.00001   0.00000  -0.00001   2.05273
   R130       2.62973   0.00001  -0.00016   0.00013  -0.00004   2.62969
   R131       2.05274   0.00000  -0.00001   0.00002   0.00001   2.05275
   R132       2.65523   0.00004   0.00018  -0.00018   0.00000   2.65523
   R133       2.05145   0.00001  -0.00000   0.00001   0.00001   2.05146
   R134       2.63276  -0.00002  -0.00018   0.00015  -0.00003   2.63273
   R135       2.05236   0.00000  -0.00002   0.00002  -0.00000   2.05236
   R136       2.04894  -0.00000  -0.00008  -0.00001  -0.00009   2.04885
   R137       2.63270  -0.00002  -0.00019   0.00016  -0.00003   2.63267
   R138       2.04889   0.00001  -0.00004  -0.00004  -0.00009   2.04880
   R139       2.65529   0.00005   0.00020  -0.00019   0.00000   2.65529
   R140       2.05229   0.00000  -0.00002   0.00002  -0.00000   2.05229
   R141       2.62964   0.00001  -0.00015   0.00012  -0.00004   2.62960
   R142       2.05144   0.00001  -0.00001   0.00001   0.00001   2.05144
   R143       2.05275   0.00000  -0.00001   0.00002   0.00001   2.05275
   R144       2.78414  -0.00018   0.00017   0.00097   0.00114   2.78528
   R145       3.02459  -0.00052   0.00005   0.00317   0.00326   3.02786
   R146       3.04540  -0.00015   0.00032  -0.00060  -0.00028   3.04511
   R147       2.76950   0.00027  -0.00101  -0.00231  -0.00325   2.76625
   R148       2.75585   0.00002   0.00001  -0.00099  -0.00098   2.75487
   R149       2.86262   0.00001   0.00066   0.00012   0.00078   2.86340
   R150       2.06314   0.00002   0.00038   0.00064   0.00102   2.06416
   R151       2.06276   0.00009   0.00034   0.00009   0.00037   2.06313
   R152       2.06857  -0.00001   0.00003  -0.00001   0.00002   2.06859
   R153       2.06704   0.00001   0.00002   0.00001   0.00003   2.06706
   R154       2.06671   0.00001  -0.00001  -0.00006  -0.00007   2.06664
   R155       2.86357  -0.00002   0.00006   0.00003   0.00008   2.86365
   R156       2.06945  -0.00002   0.00002   0.00005   0.00007   2.06952
   R157       2.06723  -0.00001  -0.00000   0.00003   0.00003   2.06727
   R158       2.06625   0.00000   0.00001  -0.00004  -0.00003   2.06622
   R159       2.06813   0.00001   0.00001   0.00004   0.00005   2.06818
   R160       2.06601   0.00001  -0.00001  -0.00003  -0.00004   2.06597
   R161       5.67973  -0.00016   0.02339   0.04031   0.06376   5.74349
   R162       6.08588   0.00002   0.02906   0.05468   0.08371   6.16959
    A1        2.06384  -0.00007  -0.00002  -0.00051  -0.00054   2.06330
    A2        2.10924  -0.00000  -0.00018   0.00025   0.00008   2.10932
    A3        2.11010   0.00007   0.00020   0.00026   0.00046   2.11057
    A4        2.12814   0.00002  -0.00008  -0.00032  -0.00043   2.12770
    A5        2.06954  -0.00001   0.00005   0.00160   0.00166   2.07120
    A6        2.08470  -0.00001   0.00001  -0.00122  -0.00119   2.08350
    A7        2.07047   0.00013   0.00051   0.00063   0.00118   2.07165
    A8        2.14402   0.00001   0.00028   0.00098   0.00139   2.14540
    A9        2.06594  -0.00014  -0.00117  -0.00146  -0.00277   2.06317
   A10        2.09041   0.00001  -0.00046   0.00018  -0.00026   2.09015
   A11        2.09836  -0.00002  -0.00018  -0.00120  -0.00148   2.09689
   A12        2.09376   0.00001   0.00067   0.00097   0.00173   2.09549
   A13        2.10541  -0.00001   0.00031  -0.00048  -0.00020   2.10521
   A14        2.06620   0.00001  -0.00002   0.00019   0.00018   2.06638
   A15        2.11144  -0.00001  -0.00028   0.00031   0.00004   2.11148
   A16        2.10651  -0.00008  -0.00035   0.00058   0.00024   2.10675
   A17        2.08840   0.00008   0.00010   0.00017   0.00028   2.08867
   A18        2.08827   0.00000   0.00023  -0.00075  -0.00052   2.08775
   A19        2.09561  -0.00010  -0.00112   0.00014  -0.00101   2.09460
   A20        2.10791   0.00007  -0.00010  -0.00156  -0.00166   2.10625
   A21        2.07326   0.00003   0.00058   0.00144   0.00205   2.07531
   A22        2.07375   0.00014   0.00010  -0.00208  -0.00190   2.07185
   A23        2.06812   0.00014   0.00031  -0.00027  -0.00000   2.06812
   A24        2.13587  -0.00027  -0.00031   0.00265   0.00229   2.13816
   A25        1.96840   0.00021  -0.00853  -0.01221  -0.02128   1.94712
   A26        2.07313  -0.00022  -0.00726  -0.01076  -0.01853   2.05460
   A27        1.85307  -0.00046   0.00166   0.01050   0.01234   1.86541
   A28        2.03184  -0.00021  -0.00429  -0.00765  -0.01239   2.01945
   A29        1.64051   0.00003   0.01601   0.02591   0.04214   1.68265
   A30        2.03366  -0.00013  -0.00180  -0.00546  -0.00733   2.02633
   A31        2.08395  -0.00022  -0.00034   0.00125   0.00079   2.08475
   A32        2.16360   0.00034   0.00177   0.00395   0.00589   2.16949
   A33        2.13779  -0.00002  -0.00105   0.00004  -0.00102   2.13677
   A34        2.07709   0.00001   0.00118  -0.00205  -0.00086   2.07622
   A35        2.06553   0.00001  -0.00022   0.00198   0.00176   2.06729
   A36        2.05431  -0.00001   0.00085  -0.00204  -0.00120   2.05310
   A37        2.10891   0.00007  -0.00029   0.00087   0.00059   2.10950
   A38        2.11925  -0.00006  -0.00059   0.00121   0.00062   2.11987
   A39        2.10748  -0.00005  -0.00053   0.00170   0.00118   2.10866
   A40        2.09450   0.00006  -0.00013   0.00025   0.00011   2.09462
   A41        2.08102  -0.00001   0.00067  -0.00198  -0.00131   2.07970
   A42        2.11990  -0.00009  -0.00038  -0.00033  -0.00070   2.11920
   A43        2.09830   0.00002   0.00069   0.00091   0.00160   2.09990
   A44        2.06457   0.00007  -0.00026  -0.00056  -0.00083   2.06375
   A45        2.07690   0.00025   0.00191   0.00012   0.00234   2.07924
   A46        2.05846  -0.00011  -0.00509  -0.00150  -0.00659   2.05186
   A47        2.07767  -0.00012  -0.00092   0.00263   0.00150   2.07917
   A48        2.02750   0.00030   0.00686   0.01569   0.02251   2.05002
   A49        1.53316   0.00010  -0.00190   0.00592   0.00406   1.53722
   A50        2.07496   0.00020   0.00017   0.00240   0.00250   2.07746
   A51        2.15091  -0.00024  -0.00004  -0.00041  -0.00039   2.15052
   A52        2.05623   0.00004  -0.00016  -0.00183  -0.00198   2.05425
   A53        2.14152  -0.00033  -0.00070  -0.00008  -0.00089   2.14064
   A54        2.10034   0.00006   0.00049   0.00151   0.00203   2.10237
   A55        2.04126   0.00026   0.00019  -0.00143  -0.00115   2.04010
   A56        2.07697  -0.00027   0.00012   0.00078   0.00091   2.07788
   A57        2.10762   0.00004   0.00038   0.00088   0.00124   2.10886
   A58        2.10501  -0.00003   0.00004   0.00035   0.00039   2.10540
   A59        2.07055  -0.00001  -0.00041  -0.00123  -0.00162   2.06892
   A60        2.13230  -0.00007  -0.00071   0.00078   0.00007   2.13237
   A61        2.06471  -0.00001   0.00072  -0.00167  -0.00094   2.06377
   A62        2.08600   0.00008  -0.00003   0.00088   0.00086   2.08685
   A63        2.04105  -0.00010   0.00028  -0.00205  -0.00177   2.03928
   A64        2.12035   0.00004  -0.00012   0.00159   0.00147   2.12182
   A65        2.12178   0.00006  -0.00016   0.00046   0.00030   2.12208
   A66        2.12867   0.00003  -0.00028   0.00076   0.00046   2.12913
   A67        2.03301  -0.00006   0.00081  -0.00124  -0.00041   2.03260
   A68        2.12119   0.00003  -0.00052   0.00048  -0.00003   2.12116
   A69        2.11184  -0.00000   0.00014   0.00040   0.00054   2.11238
   A70        2.11662  -0.00002   0.00003   0.00014   0.00017   2.11678
   A71        2.05473   0.00002  -0.00017  -0.00054  -0.00071   2.05402
   A72        2.11715  -0.00008  -0.00065   0.00063  -0.00002   2.11713
   A73        2.11022   0.00011   0.00006   0.00046   0.00052   2.11074
   A74        2.05582  -0.00003   0.00059  -0.00109  -0.00050   2.05531
   A75        2.11528  -0.00003  -0.00027   0.00056   0.00029   2.11557
   A76        2.11274   0.00004   0.00017   0.00026   0.00042   2.11316
   A77        2.05517  -0.00002   0.00010  -0.00082  -0.00071   2.05445
   A78        2.11694   0.00002  -0.00026   0.00052   0.00026   2.11720
   A79        2.08698   0.00002  -0.00002  -0.00007  -0.00010   2.08688
   A80        2.07836  -0.00004   0.00029  -0.00046  -0.00017   2.07819
   A81        2.09816   0.00004   0.00012  -0.00003   0.00009   2.09825
   A82        2.10005  -0.00003  -0.00061   0.00057  -0.00004   2.10001
   A83        2.08474  -0.00001   0.00048  -0.00053  -0.00005   2.08469
   A84        2.08021  -0.00006  -0.00027   0.00008  -0.00019   2.08001
   A85        2.10134   0.00003   0.00007   0.00012   0.00019   2.10153
   A86        2.10164   0.00003   0.00020  -0.00020   0.00000   2.10164
   A87        2.09778   0.00003   0.00015  -0.00010   0.00005   2.09783
   A88        2.08505  -0.00000   0.00038  -0.00047  -0.00009   2.08496
   A89        2.10009  -0.00003  -0.00052   0.00057   0.00005   2.10014
   A90        2.11730   0.00000  -0.00034   0.00064   0.00030   2.11760
   A91        2.08459   0.00005   0.00009  -0.00003   0.00006   2.08465
   A92        2.08031  -0.00005   0.00025  -0.00061  -0.00036   2.07995
   A93        2.11757  -0.00002   0.00014   0.00024   0.00038   2.11795
   A94        2.08539   0.00004  -0.00006   0.00023   0.00018   2.08556
   A95        2.07931  -0.00002  -0.00011  -0.00045  -0.00056   2.07875
   A96        2.09817   0.00002   0.00029  -0.00008   0.00022   2.09839
   A97        2.09965  -0.00001  -0.00076   0.00054  -0.00021   2.09943
   A98        2.08511  -0.00001   0.00045  -0.00046  -0.00001   2.08511
   A99        2.07996  -0.00004  -0.00071   0.00020  -0.00051   2.07945
   A100       2.10204   0.00001   0.00036  -0.00002   0.00034   2.10238
   A101       2.10118   0.00002   0.00035  -0.00018   0.00017   2.10135
   A102       2.09783   0.00002   0.00038  -0.00014   0.00024   2.09807
   A103       2.08483  -0.00000   0.00044  -0.00044  -0.00000   2.08482
   A104       2.10027  -0.00001  -0.00083   0.00059  -0.00024   2.10003
   A105       2.11795  -0.00001   0.00007   0.00031   0.00038   2.11833
   A106       2.08578   0.00002  -0.00004   0.00019   0.00014   2.08592
   A107       2.07859  -0.00001  -0.00008  -0.00046  -0.00054   2.07804
   A108       2.11758   0.00000  -0.00003   0.00038   0.00035   2.11793
   A109       2.08714   0.00002  -0.00027   0.00020  -0.00007   2.08707
   A110       2.07761  -0.00002   0.00030  -0.00059  -0.00029   2.07732
   A111       2.09801   0.00003   0.00026  -0.00009   0.00017   2.09818
   A112       2.10008  -0.00003  -0.00077   0.00065  -0.00012   2.09996
   A113       2.08485  -0.00000   0.00050  -0.00055  -0.00005   2.08480
   A114       2.07986  -0.00006  -0.00057   0.00022  -0.00035   2.07950
   A115       2.10143   0.00005   0.00042  -0.00015   0.00026   2.10170
   A116       2.10190   0.00000   0.00015  -0.00006   0.00009   2.10199
   A117       2.09821   0.00003   0.00025  -0.00011   0.00014   2.09835
   A118       2.08504  -0.00001   0.00043  -0.00048  -0.00005   2.08499
   A119       2.09969  -0.00002  -0.00070   0.00061  -0.00009   2.09960
   A120       2.11743   0.00001  -0.00001   0.00042   0.00041   2.11783
   A121       2.08543   0.00003  -0.00009   0.00014   0.00005   2.08548
   A122       2.07959  -0.00003   0.00009  -0.00055  -0.00046   2.07913
   A123       2.19599  -0.00000   0.00005  -0.00003   0.00002   2.19600
   A124       2.19649  -0.00004  -0.00003   0.00017   0.00014   2.19663
   A125       1.89071   0.00004  -0.00002  -0.00014  -0.00016   1.89055
   A126       2.19622   0.00002  -0.00002   0.00011   0.00009   2.19631
   A127       2.19617  -0.00004  -0.00006  -0.00004  -0.00011   2.19606
   A128       1.89080   0.00001   0.00009  -0.00007   0.00002   1.89081
   A129       2.19629  -0.00004  -0.00013   0.00019   0.00006   2.19635
   A130       2.19612   0.00001   0.00014  -0.00013   0.00001   2.19613
   A131       1.89077   0.00003  -0.00001  -0.00006  -0.00007   1.89071
   A132       1.90139  -0.00001   0.00002   0.00005   0.00008   1.90147
   A133       2.25979   0.00002   0.00038  -0.00044  -0.00006   2.25973
   A134       2.12148  -0.00001  -0.00043   0.00044   0.00001   2.12149
   A135       1.86561  -0.00000  -0.00005  -0.00003  -0.00009   1.86552
   A136       2.08643  -0.00001   0.00025  -0.00032  -0.00006   2.08637
   A137       2.33107   0.00001  -0.00022   0.00037   0.00015   2.33122
   A138       1.86561  -0.00001  -0.00005  -0.00009  -0.00014   1.86547
   A139       2.33108   0.00001  -0.00024   0.00044   0.00021   2.33128
   A140       2.08643  -0.00000   0.00026  -0.00033  -0.00007   2.08636
   A141       1.90137   0.00001  -0.00001   0.00014   0.00013   1.90150
   A142       2.25988   0.00001   0.00045  -0.00058  -0.00013   2.25974
   A143       2.12144  -0.00002  -0.00047   0.00049   0.00002   2.12145
   A144       1.90154   0.00001  -0.00003   0.00009   0.00006   1.90160
   A145       2.25971  -0.00000   0.00065  -0.00054   0.00011   2.25982
   A146       2.12141  -0.00000  -0.00066   0.00049  -0.00018   2.12124
   A147       1.86550  -0.00003   0.00003  -0.00002   0.00002   1.86551
   A148       2.08649  -0.00002   0.00039  -0.00028   0.00011   2.08660
   A149       2.33113   0.00005  -0.00044   0.00031  -0.00013   2.33099
   A150       1.86554  -0.00003   0.00002   0.00001   0.00003   1.86558
   A151       2.33108   0.00005  -0.00041   0.00025  -0.00016   2.33092
   A152       2.08648  -0.00002   0.00037  -0.00025   0.00012   2.08661
   A153       1.90149   0.00001  -0.00001   0.00006   0.00005   1.90154
   A154       2.25980  -0.00001   0.00057  -0.00044   0.00013   2.25993
   A155       2.12137   0.00000  -0.00060   0.00041  -0.00019   2.12117
   A156       1.90153   0.00001   0.00000   0.00012   0.00013   1.90165
   A157       2.25959  -0.00000   0.00058  -0.00060  -0.00001   2.25958
   A158       2.12157  -0.00001  -0.00063   0.00052  -0.00010   2.12147
   A159       1.86546  -0.00002   0.00001  -0.00010  -0.00009   1.86536
   A160       2.08641  -0.00001   0.00040  -0.00039   0.00002   2.08643
   A161       2.33125   0.00004  -0.00043   0.00050   0.00007   2.33132
   A162       1.86538  -0.00002   0.00004  -0.00013  -0.00009   1.86529
   A163       2.33135   0.00003  -0.00047   0.00055   0.00008   2.33142
   A164       2.08638  -0.00001   0.00042  -0.00040   0.00001   2.08640
   A165       1.90164  -0.00000  -0.00004   0.00017   0.00013   1.90177
   A166       2.25963   0.00002   0.00066  -0.00068  -0.00002   2.25961
   A167       2.12142  -0.00002  -0.00068   0.00057  -0.00011   2.12131
   A168       2.07982  -0.00001   0.00001   0.00002   0.00004   2.07986
   A169       2.09999   0.00003  -0.00003   0.00008   0.00005   2.10004
   A170       2.10337  -0.00002   0.00001  -0.00010  -0.00008   2.10328
   A171       2.10401   0.00001  -0.00012   0.00014   0.00002   2.10403
   A172       2.09210  -0.00002   0.00009  -0.00011  -0.00002   2.09208
   A173       2.08706   0.00001   0.00003  -0.00003  -0.00000   2.08706
   A174       2.11981  -0.00002   0.00005  -0.00007  -0.00002   2.11978
   A175       2.08517  -0.00001  -0.00010   0.00004  -0.00006   2.08510
   A176       2.07821   0.00002   0.00005   0.00003   0.00009   2.07829
   A177       2.05470   0.00003   0.00028  -0.00025   0.00003   2.05473
   A178       2.11750  -0.00001   0.00014  -0.00031  -0.00017   2.11734
   A179       2.11095  -0.00003  -0.00042   0.00055   0.00014   2.11109
   A180       2.05460   0.00003   0.00024  -0.00021   0.00003   2.05463
   A181       2.11753  -0.00000   0.00015  -0.00029  -0.00014   2.11739
   A182       2.11103  -0.00003  -0.00039   0.00050   0.00011   2.11114
   A183       2.11990  -0.00002   0.00005  -0.00008  -0.00002   2.11987
   A184       2.07807   0.00002   0.00003   0.00006   0.00009   2.07815
   A185       2.08522  -0.00000  -0.00008   0.00002  -0.00006   2.08515
   A186       2.10398   0.00002  -0.00012   0.00015   0.00003   2.10401
   A187       2.08716   0.00001   0.00005  -0.00006  -0.00001   2.08715
   A188       2.09203  -0.00002   0.00007  -0.00009  -0.00002   2.09201
   A189       2.07982  -0.00001   0.00000   0.00003   0.00003   2.07985
   A190       2.09997   0.00003  -0.00002   0.00008   0.00006   2.10003
   A191       2.10338  -0.00002   0.00002  -0.00011  -0.00009   2.10330
   A192       2.07984  -0.00001   0.00001   0.00001   0.00001   2.07985
   A193       2.09991   0.00004  -0.00003   0.00007   0.00003   2.09994
   A194       2.10343  -0.00003   0.00003  -0.00008  -0.00005   2.10338
   A195       2.10392   0.00002  -0.00017   0.00011  -0.00006   2.10386
   A196       2.09209  -0.00003   0.00010  -0.00008   0.00002   2.09210
   A197       2.08717   0.00000   0.00007  -0.00003   0.00004   2.08721
   A198       2.11995  -0.00002   0.00005  -0.00005   0.00000   2.11995
   A199       2.08527  -0.00001  -0.00005   0.00002  -0.00003   2.08524
   A200       2.07796   0.00003  -0.00001   0.00003   0.00003   2.07799
   A201       2.05465   0.00003   0.00033  -0.00022   0.00011   2.05476
   A202       2.11747  -0.00002   0.00026  -0.00019   0.00007   2.11755
   A203       2.11104  -0.00001  -0.00060   0.00042  -0.00018   2.11086
   A204       2.05462   0.00003   0.00037  -0.00025   0.00011   2.05473
   A205       2.11745  -0.00002   0.00030  -0.00023   0.00008   2.11753
   A206       2.11108  -0.00001  -0.00067   0.00048  -0.00019   2.11089
   A207       2.11994  -0.00002   0.00006  -0.00007  -0.00001   2.11993
   A208       2.07800   0.00003   0.00001   0.00002   0.00003   2.07804
   A209       2.08524  -0.00001  -0.00007   0.00005  -0.00002   2.08522
   A210       2.10394   0.00002  -0.00018   0.00013  -0.00005   2.10389
   A211       2.08711   0.00000   0.00009  -0.00006   0.00003   2.08714
   A212       2.09211  -0.00003   0.00009  -0.00007   0.00003   2.09214
   A213       2.07979  -0.00001   0.00003  -0.00002   0.00001   2.07981
   A214       2.09992   0.00004  -0.00003   0.00006   0.00003   2.09995
   A215       2.10346  -0.00003  -0.00000  -0.00004  -0.00005   2.10342
   A216       2.07990  -0.00000   0.00001   0.00004   0.00004   2.07994
   A217       2.09989   0.00004  -0.00002   0.00005   0.00004   2.09993
   A218       2.10338  -0.00003   0.00001  -0.00009  -0.00008   2.10331
   A219       2.10393   0.00002  -0.00019   0.00017  -0.00002   2.10391
   A220       2.09207  -0.00003   0.00010  -0.00009   0.00000   2.09208
   A221       2.08717   0.00001   0.00009  -0.00007   0.00002   2.08719
   A222       2.11991  -0.00002   0.00008  -0.00009  -0.00001   2.11990
   A223       2.08516  -0.00001  -0.00007   0.00000  -0.00007   2.08510
   A224       2.07811   0.00003  -0.00001   0.00008   0.00008   2.07818
   A225       2.05468   0.00004   0.00036  -0.00027   0.00008   2.05476
   A226       2.11710  -0.00001   0.00028  -0.00041  -0.00013   2.11697
   A227       2.11139  -0.00002  -0.00064   0.00068   0.00005   2.11143
   A228       2.05447   0.00003   0.00034  -0.00025   0.00008   2.05455
   A229       2.11755  -0.00002   0.00025  -0.00039  -0.00013   2.11742
   A230       2.11114  -0.00001  -0.00059   0.00064   0.00005   2.11119
   A231       2.12000  -0.00002   0.00007  -0.00008  -0.00001   2.11999
   A232       2.07795   0.00003  -0.00002   0.00009   0.00007   2.07802
   A233       2.08523  -0.00001  -0.00005  -0.00001  -0.00007   2.08517
   A234       2.10400   0.00002  -0.00018   0.00017  -0.00002   2.10398
   A235       2.08709   0.00001   0.00008  -0.00007   0.00002   2.08711
   A236       2.09208  -0.00003   0.00010  -0.00010   0.00000   2.09208
   A237       2.07975  -0.00001  -0.00000   0.00004   0.00004   2.07979
   A238       2.09998   0.00004  -0.00004   0.00008   0.00005   2.10002
   A239       2.10345  -0.00003   0.00004  -0.00012  -0.00008   2.10336
   A240       2.02238   0.00021   0.00321  -0.00142   0.00186   2.02424
   A241       1.83961  -0.00012  -0.00235   0.00401   0.00156   1.84117
   A242       1.71761  -0.00037  -0.00072   0.00257   0.00182   1.71943
   A243       2.03419   0.00006  -0.00150  -0.00332  -0.00479   2.02941
   A244       2.02681   0.00017  -0.00150   0.00063  -0.00088   2.02593
   A245       1.78091  -0.00005   0.00287  -0.00137   0.00150   1.78241
   A246       2.12339  -0.00035  -0.00116  -0.00333  -0.00419   2.11920
   A247       2.06114  -0.00008  -0.00055   0.00052  -0.00003   2.06111
   A248       1.88039  -0.00022   0.00002   0.00025   0.00017   1.88057
   A249       1.87213   0.00003  -0.00026   0.00258   0.00234   1.87448
   A250       1.89350   0.00010   0.00178  -0.00007   0.00180   1.89530
   A251       1.95833   0.00013  -0.00068  -0.00143  -0.00203   1.95629
   A252       1.96385  -0.00004  -0.00215  -0.00068  -0.00284   1.96101
   A253       1.89245   0.00000   0.00144  -0.00044   0.00092   1.89337
   A254       1.90780   0.00001   0.00062  -0.00004   0.00058   1.90838
   A255       1.93982   0.00003  -0.00029   0.00027  -0.00002   1.93980
   A256       1.93876  -0.00002  -0.00007  -0.00034  -0.00041   1.93835
   A257       1.89015  -0.00001  -0.00014   0.00016   0.00002   1.89017
   A258       1.88987  -0.00000   0.00000   0.00010   0.00010   1.88997
   A259       1.89613  -0.00001  -0.00012  -0.00014  -0.00026   1.89587
   A260       1.88116   0.00003   0.00016  -0.00008   0.00008   1.88124
   A261       1.89079  -0.00000  -0.00022   0.00055   0.00033   1.89113
   A262       1.89396  -0.00001   0.00029  -0.00013   0.00017   1.89412
   A263       1.94740  -0.00002  -0.00012  -0.00002  -0.00015   1.94725
   A264       1.95154  -0.00001  -0.00058   0.00027  -0.00032   1.95123
   A265       1.89733   0.00002   0.00049  -0.00057  -0.00008   1.89725
   A266       1.93753  -0.00002   0.00000  -0.00015  -0.00015   1.93738
   A267       1.91328   0.00001   0.00009   0.00014   0.00023   1.91351
   A268       1.93420   0.00003  -0.00006  -0.00012  -0.00018   1.93403
   A269       1.89191  -0.00000  -0.00004   0.00014   0.00010   1.89201
   A270       1.89343  -0.00000   0.00001  -0.00011  -0.00010   1.89333
   A271       1.89238  -0.00002  -0.00002   0.00011   0.00010   1.89248
   A272       1.87860   0.00001  -0.00818  -0.00178  -0.01009   1.86851
   A273       1.66347  -0.00010  -0.01005  -0.00854  -0.01862   1.64485
   A274       1.76520  -0.00052   0.01883   0.01585   0.03468   1.79987
   A275       1.80203  -0.00048   0.00816   0.01077   0.01901   1.82103
   A276       1.28112  -0.00010   0.01569   0.00741   0.02298   1.30411
   A277       1.35587  -0.00009   0.00584   0.00187   0.00762   1.36350
   A278       0.57288   0.00002  -0.00229  -0.00504  -0.00731   0.56557
    D1        0.01054   0.00001  -0.00009   0.00006  -0.00003   0.01051
    D2        3.10847  -0.00001  -0.00069   0.00162   0.00094   3.10940
    D3       -3.12988   0.00001  -0.00069   0.00043  -0.00025  -3.13013
    D4       -0.03195  -0.00002  -0.00129   0.00199   0.00071  -0.03124
    D5       -0.03171   0.00001  -0.00099   0.00049  -0.00050  -0.03221
    D6        3.10503  -0.00001  -0.00236   0.00140  -0.00096   3.10407
    D7        3.10870   0.00001  -0.00039   0.00011  -0.00027   3.10843
    D8       -0.03774  -0.00001  -0.00176   0.00102  -0.00074  -0.03848
    D9        2.49839  -0.00006  -0.00636   0.01512   0.00877   2.50715
   D10       -0.64362  -0.00005  -0.00631   0.01505   0.00874  -0.63489
   D11       -0.64200  -0.00006  -0.00697   0.01551   0.00853  -0.63346
   D12        2.49918  -0.00005  -0.00693   0.01544   0.00851   2.50768
   D13        0.03531  -0.00002   0.00143  -0.00110   0.00032   0.03563
   D14       -3.02512  -0.00002   0.00666  -0.00330   0.00341  -3.02171
   D15       -3.06225  -0.00000   0.00204  -0.00275  -0.00072  -3.06297
   D16        0.16051   0.00001   0.00727  -0.00494   0.00237   0.16287
   D17       -0.06060   0.00003  -0.00167   0.00159  -0.00009  -0.06068
   D18        3.04214   0.00003  -0.00068   0.00030  -0.00036   3.04177
   D19        3.00351   0.00003  -0.00660   0.00380  -0.00284   3.00067
   D20       -0.17695   0.00003  -0.00560   0.00250  -0.00311  -0.18006
   D21       -2.92975  -0.00001  -0.00128   0.01704   0.01576  -2.91399
   D22        0.33471   0.00000   0.00448   0.01681   0.02131   0.35602
   D23        0.29280  -0.00002   0.00386   0.01476   0.01866   0.31146
   D24       -2.72592  -0.00000   0.00961   0.01453   0.02421  -2.70171
   D25        0.04071  -0.00002   0.00062  -0.00111  -0.00048   0.04023
   D26       -3.11823   0.00001   0.00099  -0.00010   0.00089  -3.11734
   D27       -3.06212  -0.00002  -0.00036   0.00023  -0.00013  -3.06225
   D28        0.06212   0.00000   0.00001   0.00124   0.00124   0.06336
   D29       -0.32772   0.00004  -0.00576  -0.02899  -0.03482  -0.36253
   D30        2.87853   0.00004  -0.00032  -0.02473  -0.02512   2.85341
   D31        2.77494   0.00004  -0.00478  -0.03031  -0.03514   2.73980
   D32       -0.30200   0.00005   0.00065  -0.02604  -0.02544  -0.32744
   D33        0.00628  -0.00000   0.00073   0.00004   0.00076   0.00705
   D34       -3.13046   0.00002   0.00210  -0.00087   0.00122  -3.12924
   D35       -3.11751  -0.00003   0.00034  -0.00099  -0.00065  -3.11815
   D36        0.02893  -0.00001   0.00171  -0.00190  -0.00018   0.02875
   D37        0.11163   0.00001   0.00948  -0.00353   0.00601   0.11764
   D38       -2.92073  -0.00000   0.00851  -0.00665   0.00190  -2.91883
   D39        3.13277  -0.00000   0.00379  -0.00351   0.00031   3.13308
   D40        0.10042  -0.00001   0.00282  -0.00664  -0.00381   0.09661
   D41        2.99160  -0.00004  -0.00830   0.00551  -0.00283   2.98877
   D42       -0.06862  -0.00001  -0.00696   0.00594  -0.00105  -0.06966
   D43       -0.02867  -0.00001  -0.00249   0.00537   0.00287  -0.02580
   D44       -3.08888   0.00001  -0.00115   0.00580   0.00465  -3.08423
   D45       -0.59457  -0.00013  -0.01788  -0.01953  -0.03727  -0.63184
   D46       -3.06203   0.00025   0.00889   0.02585   0.03448  -3.02755
   D47        1.17805  -0.00024  -0.00208   0.01073   0.00876   1.18681
   D48        2.43333  -0.00009  -0.01683  -0.01648  -0.03314   2.40018
   D49       -0.03413   0.00028   0.00994   0.02890   0.03860   0.00447
   D50       -2.07724  -0.00020  -0.00103   0.01377   0.01288  -2.06435
   D51       -0.09660   0.00006  -0.00095   0.00313   0.00218  -0.09442
   D52        3.01382   0.00003   0.00120   0.00398   0.00519   3.01901
   D53       -3.12485   0.00002  -0.00198   0.00021  -0.00182  -3.12667
   D54       -0.01443  -0.00001   0.00017   0.00106   0.00119  -0.01324
   D55        0.69775   0.00008   0.01542   0.03533   0.05061   0.74836
   D56       -2.51175   0.00005   0.00959   0.03072   0.04014  -2.47161
   D57       -3.10102  -0.00030  -0.01201  -0.01012  -0.02200  -3.12303
   D58       -0.02734  -0.00033  -0.01784  -0.01473  -0.03247  -0.05982
   D59       -1.21164   0.00052   0.00827   0.01424   0.02248  -1.18916
   D60        1.86204   0.00049   0.00244   0.00963   0.01201   1.87405
   D61        2.47597   0.00006  -0.00888  -0.02961  -0.03838   2.43759
   D62       -1.06263   0.00009  -0.01977  -0.02563  -0.04540  -1.10803
   D63        0.03230   0.00029   0.02070   0.01914   0.03974   0.07203
   D64        2.77689   0.00032   0.00982   0.02312   0.03271   2.80960
   D65        2.35665  -0.00007  -0.00405   0.00009  -0.00401   2.35264
   D66        1.77134  -0.00003  -0.00403   0.00320  -0.00100   1.77034
   D67       -1.91744   0.00006  -0.00679  -0.00151  -0.00826  -1.92570
   D68       -2.50275   0.00011  -0.00677   0.00161  -0.00525  -2.50800
   D69        3.09034   0.00014  -0.00111  -0.00230  -0.00346   3.08688
   D70        0.01850   0.00017   0.00495   0.00268   0.00763   0.02613
   D71       -0.04940   0.00001   0.00023  -0.00020   0.00003  -0.04937
   D72        3.13236   0.00002   0.00125  -0.00129  -0.00004   3.13232
   D73        3.01133  -0.00002  -0.00103  -0.00081  -0.00186   3.00947
   D74       -0.09010  -0.00001  -0.00002  -0.00190  -0.00193  -0.09203
   D75        0.05512   0.00003   0.00168  -0.00355  -0.00186   0.05326
   D76       -3.10748   0.00001   0.00241  -0.00517  -0.00276  -3.11024
   D77       -3.12688   0.00002   0.00066  -0.00246  -0.00180  -3.12868
   D78       -0.00630   0.00000   0.00140  -0.00409  -0.00269  -0.00899
   D79        2.49206  -0.00009  -0.02820   0.03682   0.00862   2.50068
   D80       -0.65117  -0.00009  -0.02799   0.03666   0.00867  -0.64250
   D81       -0.60786  -0.00007  -0.02718   0.03576   0.00859  -0.59928
   D82        2.53209  -0.00008  -0.02697   0.03561   0.00864   2.54073
   D83        0.01788  -0.00007  -0.00132   0.00208   0.00076   0.01864
   D84       -3.09312  -0.00004  -0.00344   0.00122  -0.00224  -3.09536
   D85       -3.10286  -0.00006  -0.00204   0.00366   0.00163  -3.10123
   D86        0.06932  -0.00003  -0.00416   0.00280  -0.00137   0.06795
   D87       -0.03101  -0.00013  -0.01266  -0.01315  -0.02588  -0.05689
   D88       -3.12136  -0.00013  -0.01201  -0.01681  -0.02889   3.13293
   D89       -2.77120  -0.00017  -0.00065  -0.01623  -0.01690  -2.78811
   D90        0.42163  -0.00017  -0.00000  -0.01989  -0.01991   0.40172
   D91       -0.97360   0.00010   0.00101   0.00390   0.00507  -0.96852
   D92        2.21924   0.00010   0.00166   0.00023   0.00206   2.22130
   D93        0.16934   0.00003   0.01610   0.00699   0.02313   0.19247
   D94       -2.10760  -0.00011   0.01771   0.00909   0.02681  -2.08078
   D95        2.34236   0.00009   0.01542   0.00880   0.02427   2.36663
   D96        2.91375   0.00014   0.00591   0.01039   0.01630   2.93005
   D97        0.63681   0.00001   0.00751   0.01249   0.01999   0.65680
   D98       -1.19642   0.00021   0.00523   0.01220   0.01744  -1.17898
   D99        0.83788  -0.00024  -0.00074  -0.01236  -0.01313   0.82475
   D100      -1.43905  -0.00038   0.00086  -0.01026  -0.00945  -1.44850
   D101       3.01090  -0.00018  -0.00142  -0.01055  -0.01200   2.99890
   D102      -1.12856   0.00006  -0.01074  -0.01668  -0.02748  -1.15604
   D103      -1.71582   0.00003  -0.00786  -0.01142  -0.01940  -1.73522
   D104       0.99232   0.00006  -0.01103  -0.00636  -0.01732   0.97501
   D105       0.40506   0.00002  -0.00815  -0.00111  -0.00924   0.39583
   D106       0.02230  -0.00006  -0.00108   0.00055  -0.00049   0.02181
   D107      -3.10717   0.00001   0.00069  -0.00002   0.00069  -3.10648
   D108       3.11544  -0.00006  -0.00170   0.00405   0.00239   3.11783
   D109      -0.01403   0.00001   0.00008   0.00347   0.00357  -0.01046
   D110       3.10859   0.00001  -0.00022   0.00126   0.00101   3.10960
   D111      -0.02736  -0.00001  -0.00220   0.00104  -0.00118  -0.02854
   D112       0.01772   0.00001   0.00041  -0.00248  -0.00208   0.01564
   D113      -3.11823  -0.00001  -0.00156  -0.00271  -0.00427  -3.12250
   D114      -0.01590   0.00004   0.00492   0.00476   0.00970  -0.00621
   D115       3.11395  -0.00003   0.00320   0.00534   0.00858   3.12253
   D116       0.00008  -0.00002  -0.00040  -0.00194  -0.00235  -0.00226
   D117       3.11522  -0.00002  -0.00003  -0.00168  -0.00171   3.11351
   D118      -3.13006   0.00005   0.00129  -0.00250  -0.00124  -3.13130
   D119      -0.01493   0.00005   0.00166  -0.00223  -0.00060  -0.01552
   D120      -0.00769  -0.00001  -0.00061  -0.00010  -0.00071  -0.00840
   D121       3.11364  -0.00002  -0.00127  -0.00059  -0.00186   3.11178
   D122       3.12837   0.00001   0.00133   0.00012   0.00143   3.12980
   D123      -0.03349  -0.00000   0.00066  -0.00037   0.00029  -0.03320
   D124      -0.00641   0.00000   0.00029   0.00169   0.00198  -0.00443
   D125       3.13935   0.00001   0.00022   0.00119   0.00141   3.14077
   D126      -3.12750   0.00002   0.00095   0.00221   0.00316  -3.12434
   D127       0.01826   0.00002   0.00089   0.00171   0.00260   0.02086
   D128       0.01012   0.00001   0.00021  -0.00065  -0.00044   0.00967
   D129      -3.10369   0.00002  -0.00019  -0.00091  -0.00111  -3.10480
   D130      -3.13565   0.00001   0.00028  -0.00015   0.00013  -3.13552
   D131       0.03373   0.00001  -0.00013  -0.00041  -0.00054   0.03319
   D132       0.61546   0.00004   0.01820  -0.02761  -0.00941   0.60604
   D133      -2.52667   0.00004   0.01848  -0.02785  -0.00937  -2.53604
   D134      -2.52177   0.00004   0.01812  -0.02813  -0.01001  -2.53178
   D135       0.61929   0.00004   0.01841  -0.02837  -0.00996   0.60933
   D136      -3.13212   0.00000   0.00017  -0.00043  -0.00026  -3.13238
   D137      -0.03698  -0.00001  -0.00064   0.00032  -0.00033  -0.03731
   D138       0.00988  -0.00000   0.00013  -0.00036  -0.00023   0.00965
   D139       3.10502  -0.00001  -0.00068   0.00039  -0.00030   3.10472
   D140      -3.13518  -0.00000  -0.00041   0.00050   0.00008  -3.13510
   D141      -0.03884  -0.00002  -0.00168   0.00131  -0.00037  -0.03921
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   D143       3.10235  -0.00001  -0.00164   0.00124  -0.00040   3.10195
   D144      -3.13429   0.00002   0.00062  -0.00083  -0.00021  -3.13450
   D145      -0.03912   0.00001   0.00082  -0.00108  -0.00026  -0.03937
   D146       0.00890   0.00002   0.00042  -0.00068  -0.00026   0.00864
   D147       3.10406   0.00001   0.00062  -0.00093  -0.00031   3.10376
   D148      -3.13270  -0.00001  -0.00023   0.00003  -0.00020  -3.13290
   D149      -0.03904  -0.00002  -0.00022   0.00012  -0.00010  -0.03915
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   D152       3.13316  -0.00000   0.00042   0.00006   0.00048   3.13364
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   D157       0.03604   0.00001  -0.00009   0.00025   0.00017   0.03621
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   D159      -3.10607   0.00001   0.00019   0.00002   0.00021  -3.10586
   D160      -0.01655  -0.00001  -0.00030   0.00071   0.00041  -0.01614
   D161       3.10153  -0.00001  -0.00085   0.00143   0.00058   3.10211
   D162      -3.11194  -0.00001  -0.00049   0.00094   0.00045  -3.11149
   D163       0.00614  -0.00001  -0.00104   0.00167   0.00062   0.00676
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   D167       0.03136  -0.00001   0.00007  -0.00054  -0.00047   0.03089
   D168       0.00809   0.00002   0.00062  -0.00087  -0.00025   0.00784
   D169      -3.10874   0.00000   0.00053  -0.00118  -0.00065  -3.10939
   D170      -3.13369   0.00002   0.00089  -0.00099  -0.00010  -3.13379
   D171       0.03267   0.00001   0.00080  -0.00130  -0.00050   0.03217
   D172       0.93587  -0.00001  -0.00710   0.01282   0.00573   0.94159
   D173      -2.20290  -0.00002  -0.00689   0.01222   0.00533  -2.19757
   D174      -2.20554  -0.00001  -0.00737   0.01294   0.00557  -2.19997
   D175       0.93888  -0.00002  -0.00717   0.01234   0.00518   0.94406
   D176      -0.01584  -0.00001  -0.00050   0.00090   0.00040  -0.01544
   D177      -3.10961  -0.00000  -0.00050   0.00079   0.00029  -3.10932
   D178       3.10077   0.00000  -0.00039   0.00120   0.00080   3.10158
   D179       0.00700   0.00001  -0.00040   0.00110   0.00070   0.00770
   D180      -0.01668  -0.00000   0.00030  -0.00005   0.00025  -0.01644
   D181       3.10042   0.00001  -0.00030   0.00047   0.00017   3.10058
   D182      -3.11198   0.00001   0.00111  -0.00081   0.00030  -3.11169
   D183       0.00512   0.00002   0.00051  -0.00029   0.00022   0.00533
   D184       0.00744  -0.00000  -0.00049   0.00039  -0.00010   0.00735
   D185      -3.13349   0.00000  -0.00037   0.00018  -0.00019  -3.13367
   D186      -3.10986  -0.00001   0.00012  -0.00013  -0.00001  -3.10988
   D187       0.03239  -0.00001   0.00024  -0.00034  -0.00010   0.03229
   D188       0.00819   0.00000   0.00025  -0.00033  -0.00007   0.00811
   D189      -3.10894  -0.00001   0.00091  -0.00087   0.00004  -3.10890
   D190      -3.13407   0.00000   0.00013  -0.00012   0.00002  -3.13405
   D191       0.03198  -0.00001   0.00079  -0.00066   0.00013   0.03211
   D192      -2.20241   0.00000  -0.01259   0.01018  -0.00241  -2.20481
   D193       0.94176  -0.00000  -0.01303   0.00982  -0.00321   0.93855
   D194       0.93986   0.00000  -0.01247   0.00997  -0.00250   0.93736
   D195      -2.19916   0.00000  -0.01291   0.00961  -0.00330  -2.20246
   D196      -0.01506  -0.00000   0.00018  -0.00009   0.00009  -0.01497
   D197      -3.11159   0.00001   0.00145  -0.00092   0.00053  -3.11106
   D198       3.10185   0.00001  -0.00047   0.00045  -0.00002   3.10183
   D199       0.00533   0.00002   0.00080  -0.00038   0.00042   0.00574
   D200       0.01467   0.00000  -0.00009  -0.00048  -0.00057   0.01410
   D201      -3.10276  -0.00001   0.00075  -0.00137  -0.00062  -3.10337
   D202       3.11138   0.00000  -0.00006  -0.00047  -0.00052   3.11086
   D203      -0.00604  -0.00001   0.00078  -0.00135  -0.00057  -0.00661
   D204      -0.00714  -0.00000  -0.00009   0.00028   0.00019  -0.00696
   D205       3.13421   0.00000   0.00005   0.00008   0.00014   3.13435
   D206       3.11049   0.00000  -0.00094   0.00117   0.00023   3.11072
   D207      -0.03134   0.00001  -0.00080   0.00098   0.00018  -0.03116
   D208      -0.00678   0.00000   0.00020   0.00012   0.00032  -0.00646
   D209       3.11111   0.00001  -0.00064   0.00084   0.00020   3.11132
   D210       3.13505  -0.00000   0.00006   0.00031   0.00037   3.13542
   D211      -0.03024   0.00000  -0.00078   0.00103   0.00025  -0.02999
   D212       2.19726  -0.00001   0.01092  -0.01306  -0.00214   2.19512
   D213      -0.94349  -0.00001   0.01105  -0.01368  -0.00263  -0.94612
   D214      -0.94458  -0.00000   0.01107  -0.01325  -0.00219  -0.94676
   D215       2.19786  -0.00001   0.01119  -0.01387  -0.00268   2.19518
   D216       0.01361   0.00000  -0.00014  -0.00031  -0.00045   0.01315
   D217       3.11359  -0.00001  -0.00036  -0.00021  -0.00058   3.11301
   D218      -3.10409  -0.00000   0.00069  -0.00103  -0.00033  -3.10442
   D219      -0.00411  -0.00001   0.00047  -0.00092  -0.00046  -0.00456
   D220      -3.14000   0.00000  -0.00017  -0.00047  -0.00064  -3.14063
   D221       0.03676  -0.00002   0.00132  -0.00167  -0.00035   0.03640
   D222      -0.00061   0.00000   0.00021  -0.00016   0.00005  -0.00056
   D223      -3.10704  -0.00001   0.00170  -0.00136   0.00033  -3.10671
   D224       3.13865  -0.00000   0.00021   0.00046   0.00067   3.13932
   D225       0.03203  -0.00002   0.00160  -0.00030   0.00129   0.03332
   D226      -0.00074  -0.00000  -0.00016   0.00015  -0.00001  -0.00075
   D227      -3.10736  -0.00002   0.00122  -0.00061   0.00061  -3.10675
   D228      -3.13998  -0.00000   0.00027  -0.00055  -0.00028  -3.14026
   D229       0.03646  -0.00000   0.00117  -0.00211  -0.00094   0.03552
   D230      -0.00080   0.00000   0.00010  -0.00003   0.00006  -0.00074
   D231      -3.10755   0.00000   0.00100  -0.00160  -0.00060  -3.10815
   D232       3.13858   0.00000  -0.00026   0.00062   0.00035   3.13893
   D233       0.03124   0.00000   0.00072  -0.00099  -0.00027   0.03098
   D234      -0.00060  -0.00000  -0.00009   0.00010   0.00002  -0.00059
   D235      -3.10794  -0.00000   0.00090  -0.00150  -0.00060  -3.10854
   D236      -3.14042  -0.00000   0.00017  -0.00064  -0.00047  -3.14089
   D237      -0.03286   0.00001  -0.00139   0.00111  -0.00027  -0.03314
   D238       0.00045   0.00001   0.00006  -0.00011  -0.00005   0.00040
   D239       3.10801   0.00001  -0.00150   0.00164   0.00015   3.10816
   D240      -3.14143   0.00000  -0.00026   0.00067   0.00041  -3.14102
   D241      -0.03415   0.00002  -0.00185   0.00254   0.00069  -0.03346
   D242       0.00088  -0.00000  -0.00015   0.00014  -0.00001   0.00087
   D243       3.10816   0.00001  -0.00174   0.00201   0.00027   3.10843
   D244       0.00185   0.00000  -0.00006  -0.00005  -0.00011   0.00174
   D245      -3.12842  -0.00001   0.00120  -0.00123  -0.00003  -3.12845
   D246       3.11188   0.00000  -0.00086   0.00135   0.00049   3.11237
   D247      -0.01839  -0.00001   0.00041   0.00016   0.00057  -0.01782
   D248       3.12065   0.00001  -0.00099   0.00129   0.00030   3.12095
   D249      -0.01247  -0.00001  -0.00128   0.00136   0.00008  -0.01239
   D250       0.01774   0.00001  -0.00000  -0.00044  -0.00044   0.01731
   D251      -3.11538  -0.00001  -0.00029  -0.00037  -0.00066  -3.11604
   D252      -0.00218  -0.00000   0.00001   0.00011   0.00012  -0.00206
   D253       3.12611   0.00001  -0.00170   0.00170  -0.00000   3.12611
   D254       3.12582   0.00001  -0.00150   0.00153   0.00002   3.12584
   D255      -0.02907   0.00001  -0.00321   0.00312  -0.00010  -0.02917
   D256       0.00545   0.00001  -0.00052   0.00024  -0.00028   0.00518
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   D258      -3.12119  -0.00000   0.00115  -0.00132  -0.00017  -3.12136
   D259       0.01549  -0.00001   0.00141  -0.00141  -0.00000   0.01549
   D260       0.00173   0.00000   0.00005  -0.00013  -0.00008   0.00164
   D261       3.11229   0.00000  -0.00082   0.00130   0.00047   3.11277
   D262      -3.12879  -0.00000   0.00148  -0.00146   0.00002  -3.12877
   D263      -0.01822  -0.00000   0.00061  -0.00003   0.00057  -0.01765
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   D265       0.01548  -0.00001   0.00150  -0.00152  -0.00002   0.01546
   D266       0.00544   0.00001  -0.00052   0.00023  -0.00030   0.00514
   D267      -3.14074  -0.00000  -0.00038   0.00022  -0.00016  -3.14090
   D268       3.12115   0.00000  -0.00132   0.00157   0.00025   3.12139
   D269      -0.01289  -0.00001  -0.00182   0.00202   0.00020  -0.01269
   D270       0.01758   0.00000  -0.00024  -0.00020  -0.00044   0.01714
   D271      -3.11646  -0.00001  -0.00074   0.00025  -0.00049  -3.11695
   D272       0.00167   0.00000  -0.00017   0.00011  -0.00006   0.00161
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   D274       3.11142   0.00002  -0.00149   0.00117  -0.00031   3.11110
   D275      -0.01891   0.00001   0.00005   0.00002   0.00007  -0.01884
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   D279      -3.11484  -0.00002   0.00013  -0.00013   0.00000  -3.11484
   D280      -0.00208  -0.00000   0.00007  -0.00001   0.00005  -0.00203
   D281       3.12590   0.00001  -0.00129   0.00064  -0.00065   3.12525
   D282       3.12598   0.00001  -0.00176   0.00136  -0.00040   3.12558
   D283      -0.02923   0.00002  -0.00312   0.00202  -0.00111  -0.03033
   D284       0.00566   0.00000  -0.00030   0.00013  -0.00017   0.00549
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   D287       0.01563  -0.00001   0.00183  -0.00139   0.00043   0.01606
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   D289       3.11167   0.00002  -0.00117   0.00059  -0.00058   3.11109
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   D305       0.01292   0.00001   0.00129  -0.00124   0.00005   0.01297
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   D307       3.11673   0.00002  -0.00042   0.00069   0.00027   3.11700
   D308       0.00207   0.00000  -0.00014   0.00005  -0.00009   0.00198
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   D310      -3.12627  -0.00001   0.00152  -0.00125   0.00027  -3.12601
   D311       0.02869  -0.00002   0.00323  -0.00266   0.00057   0.02926
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   D314       3.12150   0.00001  -0.00154   0.00136  -0.00018   3.12133
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   D317      -3.11234  -0.00001   0.00159  -0.00178  -0.00019  -3.11253
   D318       3.12863   0.00001  -0.00126   0.00106  -0.00019   3.12844
   D319       0.01811  -0.00000   0.00016  -0.00060  -0.00044   0.01767
   D320       3.12146   0.00001  -0.00164   0.00153  -0.00011   3.12135
   D321      -0.01542   0.00002  -0.00169   0.00150  -0.00019  -0.01560
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   D324      -3.12100  -0.00001   0.00135  -0.00132   0.00003  -3.12097
   D325       0.01316  -0.00000   0.00128  -0.00109   0.00018   0.01335
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   D327       3.11668   0.00002  -0.00048   0.00097   0.00049   3.11717
   D328       0.00714  -0.00001   0.00011  -0.00019  -0.00008   0.00705
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   D333       3.13120  -0.00000  -0.00021   0.00031   0.00010   3.13130
   D334       3.13960  -0.00000   0.00039  -0.00014   0.00025   3.13985
   D335      -0.00475  -0.00001  -0.00009   0.00023   0.00014  -0.00461
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   D337       3.12935   0.00001   0.00030  -0.00020   0.00010   3.12945
   D338       3.13962   0.00000   0.00027  -0.00011   0.00016   3.13979
   D339      -0.00949   0.00001   0.00077  -0.00057   0.00021  -0.00929
   D340      -0.00472  -0.00000  -0.00028   0.00032   0.00003  -0.00468
   D341       3.14025   0.00000   0.00017  -0.00012   0.00005   3.14030
   D342       3.12844   0.00001   0.00001   0.00025   0.00025   3.12869
   D343      -0.00978   0.00001   0.00046  -0.00019   0.00027  -0.00951
   D344      -0.00779   0.00000   0.00016   0.00009   0.00024  -0.00754
   D345       3.13992  -0.00000   0.00033  -0.00011   0.00022   3.14014
   D346       3.13042  -0.00000  -0.00030   0.00052   0.00022   3.13064
   D347      -0.00506  -0.00001  -0.00013   0.00033   0.00020  -0.00486
   D348       0.00728  -0.00000   0.00025  -0.00037  -0.00011   0.00716
   D349      -3.12939   0.00000  -0.00000  -0.00028  -0.00029  -3.12967
   D350      -3.14045   0.00000   0.00008  -0.00017  -0.00009  -3.14053
   D351       0.00607   0.00001  -0.00018  -0.00008  -0.00026   0.00582
   D352       0.00714  -0.00001   0.00036  -0.00024   0.00012   0.00726
   D353      -3.13993  -0.00000  -0.00010  -0.00002  -0.00012  -3.14005
   D354      -3.12970  -0.00000   0.00032  -0.00013   0.00020  -3.12950
   D355       0.00642   0.00000  -0.00013   0.00009  -0.00004   0.00638
   D356      -0.00766   0.00001  -0.00007   0.00005  -0.00003  -0.00768
   D357       3.13119  -0.00000  -0.00061   0.00037  -0.00024   3.13096
   D358       3.13939  -0.00000   0.00038  -0.00017   0.00021   3.13960
   D359      -0.00494  -0.00001  -0.00015   0.00016   0.00000  -0.00494
   D360      -0.00487   0.00000  -0.00026   0.00019  -0.00007  -0.00494
   D361       3.12947   0.00001  -0.00039   0.00008  -0.00031   3.12917
   D362       3.13946   0.00001   0.00027  -0.00014   0.00014   3.13959
   D363      -0.00939   0.00002   0.00015  -0.00024  -0.00010  -0.00949
   D364      -0.00483   0.00000  -0.00023   0.00009  -0.00014  -0.00497
   D365       3.14022   0.00001   0.00023  -0.00034  -0.00011   3.14012
   D366       3.12824   0.00001  -0.00013   0.00008  -0.00005   3.12819
   D367      -0.00989   0.00002   0.00033  -0.00035  -0.00002  -0.00991
   D368      -0.00797   0.00001  -0.00004   0.00007   0.00004  -0.00794
   D369       3.13977  -0.00000   0.00034  -0.00026   0.00009   3.13985
   D370       3.13015   0.00000  -0.00050   0.00051   0.00000   3.13015
   D371      -0.00530  -0.00001  -0.00012   0.00018   0.00006  -0.00524
   D372       0.00741  -0.00001   0.00031  -0.00019   0.00012   0.00753
   D373      -3.12926  -0.00000   0.00019  -0.00017   0.00002  -3.12924
   D374      -3.14035   0.00000  -0.00008   0.00015   0.00007  -3.14028
   D375       0.00616   0.00001  -0.00019   0.00016  -0.00003   0.00614
   D376      -0.00705   0.00001  -0.00040   0.00047   0.00007  -0.00697
   D377       3.14016   0.00000   0.00008   0.00002   0.00010   3.14025
   D378       3.12982   0.00000  -0.00035   0.00050   0.00015   3.12997
   D379      -0.00616  -0.00001   0.00012   0.00005   0.00017  -0.00599
   D380       0.00754  -0.00001   0.00014  -0.00032  -0.00018   0.00736
   D381      -3.13103   0.00000   0.00062  -0.00073  -0.00011  -3.13114
   D382      -3.13965   0.00000  -0.00033   0.00013  -0.00020  -3.13985
   D383       0.00497   0.00001   0.00014  -0.00028  -0.00013   0.00483
   D384       0.00472  -0.00000   0.00026  -0.00029  -0.00003   0.00470
   D385      -3.12946  -0.00001   0.00033  -0.00051  -0.00018  -3.12964
   D386      -3.13988  -0.00001  -0.00021   0.00012  -0.00009  -3.13998
   D387       0.00912  -0.00002  -0.00014  -0.00011  -0.00025   0.00887
   D388       0.00471  -0.00000   0.00026  -0.00029  -0.00003   0.00468
   D389      -3.13965  -0.00001  -0.00031   0.00013  -0.00018  -3.13983
   D390      -3.12960  -0.00001   0.00037  -0.00037  -0.00001  -3.12961
   D391       0.00922  -0.00002  -0.00020   0.00005  -0.00015   0.00907
   D392       0.00757  -0.00001   0.00008  -0.00021  -0.00013   0.00744
   D393      -3.13949   0.00000  -0.00037   0.00013  -0.00024  -3.13972
   D394      -3.13124   0.00000   0.00065  -0.00063   0.00002  -3.13123
   D395       0.00489   0.00001   0.00020  -0.00029  -0.00009   0.00480
   D396      -0.00703   0.00001  -0.00036   0.00039   0.00004  -0.00699
   D397       3.12992   0.00000  -0.00024   0.00030   0.00006   3.12998
   D398       3.14004   0.00000   0.00009   0.00005   0.00014   3.14018
   D399      -0.00619  -0.00001   0.00021  -0.00004   0.00016  -0.00603
   D400       1.70947   0.00011   0.03027   0.00824   0.03861   1.74808
   D401      -0.56059  -0.00012   0.02914   0.00922   0.03842  -0.52217
   D402      -2.78735  -0.00033   0.02979   0.01166   0.04149  -2.74586
   D403      -3.08032  -0.00012  -0.00961   0.00521  -0.00445  -3.08477
   D404      -0.91045  -0.00003  -0.00694   0.00557  -0.00136  -0.91182
   D405       1.32103   0.00011  -0.00760   0.00062  -0.00692   1.31411
   D406       2.61669  -0.00009  -0.02307   0.00086  -0.02216   2.59453
   D407      -1.55480  -0.00004  -0.02402   0.00075  -0.02316  -1.57796
   D408       0.48613   0.00003  -0.02153   0.00157  -0.01989   0.46624
   D409       2.99464   0.00002  -0.00709   0.00458  -0.00251   2.99213
   D410      -1.17890   0.00001  -0.00727   0.00483  -0.00244  -1.18134
   D411       0.87819   0.00002  -0.00665   0.00438  -0.00227   0.87592
   D412       3.10570   0.00000  -0.00187   0.00055  -0.00133   3.10437
   D413      -1.09209   0.00001  -0.00183   0.00089  -0.00095  -1.09304
   D414       1.02132   0.00001  -0.00223   0.00066  -0.00158   1.01975
   D415       1.04885   0.00003  -0.00117  -0.00195  -0.00314   1.04572
   D416       3.13425   0.00004  -0.00113  -0.00160  -0.00275   3.13150
   D417      -1.03553   0.00004  -0.00152  -0.00183  -0.00338  -1.03891
   D418      -1.09105  -0.00004  -0.00095   0.00022  -0.00070  -1.09175
   D419       0.99434  -0.00004  -0.00091   0.00056  -0.00031   0.99403
   D420       3.10775  -0.00003  -0.00130   0.00033  -0.00094   3.10681
   D421       1.31033   0.00002  -0.02195  -0.02139  -0.04326   1.26706
   D422      -2.91111  -0.00015  -0.02249  -0.02028  -0.04274  -2.95385
   D423      -0.73129  -0.00011  -0.02466  -0.02245  -0.04711  -0.77840
   D424      -1.38867  -0.00003   0.01965   0.01425   0.03379  -1.35488
   D425       2.81572   0.00020   0.01977   0.01440   0.03413   2.84985
   D426       0.63917   0.00006   0.02108   0.01702   0.03803   0.67720
   D427       1.04845   0.00000  -0.00086   0.00096   0.00009   1.04855
   D428       3.13813  -0.00000  -0.00085   0.00112   0.00028   3.13840
   D429      -1.05690   0.00000  -0.00084   0.00128   0.00043  -1.05646
   D430      -1.02537   0.00000  -0.00062   0.00034  -0.00028  -1.02565
   D431       1.06430  -0.00001  -0.00061   0.00051  -0.00010   1.06420
   D432      -3.13072  -0.00000  -0.00060   0.00066   0.00006  -3.13066
   D433       3.12860  -0.00000  -0.00075   0.00091   0.00016   3.12876
   D434      -1.06492  -0.00001  -0.00073   0.00107   0.00034  -1.06457
   D435       1.02324  -0.00000  -0.00073   0.00123   0.00050   1.02374
   D436      -1.28945   0.00013   0.02502   0.01488   0.03985  -1.24960
   D437      -1.21499   0.00008   0.02381   0.01655   0.04046  -1.17453
   D438       0.40735   0.00006   0.01088   0.01037   0.02119   0.42854
   D439       1.18294  -0.00027   0.01090   0.00173   0.01261   1.19555
   D440       0.97949  -0.00008   0.00883   0.00046   0.00934   0.98883
   D441      -0.38899  -0.00004  -0.01110  -0.00987  -0.02095  -0.40994
         Item               Value     Threshold  Converged?
 Maximum Force            0.001973     0.000450     NO 
 RMS     Force            0.000135     0.000300     YES
 Maximum Displacement     0.412811     0.001800     NO 
 RMS     Displacement     0.073775     0.001200     NO 
 Predicted change in Energy=-1.551172D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.805582    2.886072    0.501376
      2          6           0       -2.048443    1.512416    0.630971
      3          6           0       -1.008051    0.575546    0.650812
      4          6           0        0.322136    1.039067    0.580439
      5          6           0        0.573848    2.407411    0.419421
      6          6           0       -0.471175    3.317280    0.376077
      7          6           0       -1.240664   -0.882094    0.637955
      8          6           0       -0.178237   -1.772385    0.935645
      9          6           0        1.126184   -1.204502    1.407823
     10          6           0        1.441600    0.095944    0.725083
     11          6           0       -2.456961   -1.407124    0.186951
     12          6           0       -2.655464   -2.779679   -0.010784
     13          6           0       -1.562386   -3.632360    0.201948
     14          6           0       -0.348737   -3.133346    0.654910
     15          7           0        2.220657   -2.100986    1.564370
     16          6           0        3.524516   -1.683665    1.158699
     17          6           0        3.680857   -0.418048    0.548670
     18          7           0        2.621405    0.450870    0.348721
     19          6           0        4.664160   -2.492988    1.283310
     20          6           0        5.903169   -2.051114    0.837545
     21          6           0        6.077502   -0.790629    0.236749
     22          6           0        4.940734    0.004299    0.100609
     23          6           0       -2.924224    3.858946    0.497610
     24          6           0       -3.961885   -3.299171   -0.478451
     25          6           0        7.406294   -0.332115   -0.233247
     26          6           0       -4.040087   -4.385473   -1.366714
     27          6           0       -5.266414   -4.867974   -1.812405
     28          6           0       -6.458631   -4.285243   -1.363678
     29          6           0       -6.398209   -3.207907   -0.470549
     30          6           0       -5.166798   -2.720211   -0.044690
     31          6           0       -2.789368    5.120472    1.102560
     32          6           0       -3.838322    6.034322    1.112397
     33          6           0       -5.055341    5.717591    0.495518
     34          6           0       -5.202843    4.468560   -0.121160
     35          6           0       -4.154493    3.554149   -0.109871
     36          6           0        8.337601   -1.233553   -0.776111
     37          6           0        9.582277   -0.804694   -1.226826
     38          6           0        9.939542    0.546006   -1.130961
     39          6           0        9.025808    1.456226   -0.584695
     40          6           0        7.777514    1.020817   -0.151376
     41          7           0       -6.124443    6.649129    0.494322
     42          7           0       -7.711135   -4.779979   -1.808134
     43          7           0       11.210745    0.986429   -1.581070
     44          6           0       -8.142364   -6.110684   -1.729111
     45          6           0       -9.446421   -6.205416   -2.277906
     46          6           0       -9.818849   -4.874262   -2.709601
     47          6           0       -8.727744   -4.021841   -2.403850
     48          6           0       -7.430228    6.399485    0.937264
     49          6           0       -8.204659    7.575997    0.774291
     50          6           0       -7.329647    8.580180    0.206103
     51          6           0       -6.056682    7.975766    0.048359
     52          6           0       11.443257    2.014605   -2.503819
     53          6           0       12.841372    2.154713   -2.694787
     54          6           0       13.482042    1.169365   -1.848950
     55          6           0       12.448019    0.467217   -1.179048
     56          6           0      -10.956011   -4.344076   -3.329632
     57          6           0      -10.989358   -2.987904   -3.639594
     58          6           0       -9.893387   -2.160304   -3.342876
     59          6           0       -8.749493   -2.662102   -2.725869
     60          6           0       -7.495874   -7.223217   -1.183700
     61          6           0       -8.168195   -8.443074   -1.214412
     62          6           0       -9.454557   -8.557656   -1.767828
     63          6           0      -10.099100   -7.443286   -2.296172
     64          6           0       -7.516118    9.909870   -0.188526
     65          6           0       -6.446033   10.611363   -0.735561
     66          6           0       -5.195327    9.992398   -0.898994
     67          6           0       -4.982400    8.670371   -0.514399
     68          6           0       -7.970879    5.240732    1.501361
     69          6           0       -9.310856    5.269272    1.881666
     70          6           0      -10.096737    6.421665    1.712746
     71          6           0       -9.548618    7.577356    1.164710
     72          6           0       14.817849    0.837329   -1.595838
     73          6           0       15.104316   -0.174252   -0.684181
     74          6           0       14.067857   -0.849919   -0.018224
     75          6           0       12.729873   -0.539650   -0.251633
     76          6           0       10.526672    2.801522   -3.206619
     77          6           0       11.032490    3.750242   -4.092592
     78          6           0       12.415187    3.912461   -4.282828
     79          6           0       13.322567    3.116009   -3.590970
     80          8           0        0.718827   -3.563515    3.344015
     81         15           0        2.064615   -3.376404    2.772834
     82          8           0        3.250372   -3.121312    3.819825
     83          8           0        2.640914   -4.602972    1.901034
     84          6           0        3.007695   -2.454161    5.099994
     85          6           0        3.985304   -3.021483    6.109150
     86          6           0        2.635417   -5.932472    2.499044
     87          6           0        3.018772   -6.926411    1.421316
     88          1           0       -3.070598    1.174723    0.758341
     89          1           0        1.603843    2.736794    0.345053
     90          1           0       -0.258206    4.372589    0.239166
     91          1           0       -3.251503   -0.725216   -0.092067
     92          1           0       -1.664982   -4.698943    0.031840
     93          1           0        0.478059   -3.820164    0.763008
     94          1           0        4.595522   -3.474461    1.725274
     95          1           0        6.761639   -2.699762    0.980229
     96          1           0        4.981707    0.974749   -0.381646
     97          1           0       -3.127384   -4.832287   -1.748108
     98          1           0       -5.307272   -5.683638   -2.526302
     99          1           0       -7.318745   -2.772601   -0.096707
    100          1           0       -5.139559   -1.904430    0.670991
    101          1           0       -1.863975    5.373490    1.610237
    102          1           0       -3.728243    6.988114    1.617142
    103          1           0       -6.132370    4.229830   -0.626799
    104          1           0       -4.278874    2.603040   -0.618061
    105          1           0        8.069430   -2.279727   -0.886146
    106          1           0       10.274704   -1.508999   -1.675452
    107          1           0        9.307824    2.498638   -0.481928
    108          1           0        7.093503    1.736603    0.293706
    109          1           0      -11.799444   -4.985371   -3.569004
    110          1           0      -11.866194   -2.564442   -4.119452
    111          1           0       -9.934481   -1.106268   -3.601211
    112          1           0       -7.903976   -2.018482   -2.510710
    113          1           0       -6.508262   -7.141633   -0.743964
    114          1           0       -7.685589   -9.322202   -0.797662
    115          1           0       -9.949958   -9.523553   -1.777055
    116          1           0      -11.098040   -7.530454   -2.713864
    117          1           0       -8.485888   10.385373   -0.072712
    118          1           0       -6.577580   11.643788   -1.044214
    119          1           0       -4.374784   10.553051   -1.336980
    120          1           0       -4.016979    8.197526   -0.654902
    121          1           0       -7.368897    4.350883    1.646885
    122          1           0       -9.753589    4.380247    2.321051
    123          1           0      -11.138322    6.409600    2.018383
    124          1           0      -10.153541    8.471598    1.044881
    125          1           0       15.619884    1.366646   -2.102340
    126          1           0       16.136444   -0.441857   -0.480240
    127          1           0       14.311674   -1.629935    0.697076
    128          1           0       11.936678   -1.058512    0.274794
    129          1           0        9.457966    2.675752   -3.074355
    130          1           0       10.339708    4.374759   -4.648901
    131          1           0       12.775913    4.662564   -4.979750
    132          1           0       14.391084    3.234593   -3.746510
    133          1           0        3.154466   -1.383180    4.943183
    134          1           0        1.968333   -2.622436    5.388704
    135          1           0        3.851877   -2.512394    7.068986
    136          1           0        3.818158   -4.091642    6.261840
    137          1           0        5.018249   -2.872437    5.782329
    138          1           0        3.351492   -5.940869    3.327597
    139          1           0        1.635894   -6.130374    2.897183
    140          1           0        4.013842   -6.709009    1.023713
    141          1           0        3.027241   -7.937637    1.839809
    142          1           0        2.302390   -6.899919    0.595894
    143         17           0        0.780325   -0.384794    3.329442
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0178789           0.0073802           0.0057952
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13519.8825638881 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.73D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    0.999993    0.002443    0.000363   -0.002732 Ang=   0.42 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.68047727     A.U. after   12 cycles
            NFock= 12  Conv=0.64D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000149437   -0.000320544    0.000020702
      2        6           0.000026501    0.000191153   -0.000019475
      3        6           0.000214437   -0.000033251   -0.000040948
      4        6          -0.000257496   -0.000138879    0.000063043
      5        6          -0.000007003    0.000058060    0.000047737
      6        6           0.000002247    0.000094400   -0.000068610
      7        6          -0.000056860    0.000033400    0.000053538
      8        6           0.000031656    0.000360896   -0.000496074
      9        6          -0.000063100   -0.000249804    0.001012281
     10        6           0.000132429   -0.000340167   -0.000256843
     11        6           0.000138669    0.000018802    0.000037216
     12        6           0.000131281    0.000219236    0.000071743
     13        6          -0.000074269   -0.000123618    0.000086045
     14        6           0.000045889    0.000037146   -0.000042609
     15        7           0.000222691    0.000831659    0.000705834
     16        6          -0.000584593   -0.000347139   -0.000125451
     17        6          -0.000629246    0.000150482   -0.000092534
     18        7           0.000780569   -0.000178181    0.000025334
     19        6           0.000265665    0.000063314   -0.000071656
     20        6           0.000013831   -0.000065339    0.000068883
     21        6          -0.000208601    0.000025099   -0.000017926
     22        6           0.000232959   -0.000068746   -0.000035498
     23        6          -0.000342683    0.000127000   -0.000036786
     24        6          -0.000186430   -0.000172985   -0.000094136
     25        6           0.000122764    0.000113523   -0.000025714
     26        6          -0.000026818    0.000114481   -0.000061958
     27        6           0.000030632    0.000032716    0.000058124
     28        6          -0.000097483   -0.000040264   -0.000016531
     29        6           0.000040976    0.000001979   -0.000016545
     30        6           0.000022284   -0.000050533    0.000102073
     31        6           0.000096152   -0.000062508    0.000039595
     32        6          -0.000027022   -0.000053210    0.000016296
     33        6           0.000069538   -0.000048761   -0.000026965
     34        6           0.000014122    0.000072205   -0.000012312
     35        6           0.000124142   -0.000023518   -0.000020521
     36        6          -0.000028026   -0.000012608   -0.000055312
     37        6          -0.000065756   -0.000007280   -0.000009548
     38        6          -0.000017027    0.000018661    0.000018450
     39        6           0.000023511   -0.000052630    0.000013317
     40        6          -0.000008230   -0.000007653    0.000058700
     41        7          -0.000293564    0.000126965    0.000037934
     42        7           0.000009079   -0.000008451   -0.000041637
     43        7           0.000165398    0.000105912   -0.000088883
     44        6           0.000049864    0.000021438   -0.000016512
     45        6          -0.000053991    0.000061166    0.000071052
     46        6           0.000088625   -0.000032334   -0.000055344
     47        6           0.000023485    0.000019405    0.000073179
     48        6           0.000198445    0.000045296    0.000055767
     49        6           0.000036844    0.000112333    0.000064088
     50        6          -0.000053156   -0.000106927   -0.000074614
     51        6           0.000086149   -0.000151974   -0.000080479
     52        6          -0.000050669   -0.000135220    0.000027981
     53        6           0.000058203   -0.000098286   -0.000034397
     54        6          -0.000062936    0.000108401    0.000038057
     55        6          -0.000137439    0.000010045    0.000070681
     56        6          -0.000066870   -0.000039355    0.000035459
     57        6           0.000000395   -0.000008239   -0.000036490
     58        6           0.000048394    0.000068364    0.000056235
     59        6          -0.000044868   -0.000025532   -0.000063853
     60        6          -0.000074919   -0.000039724    0.000001212
     61        6           0.000090902    0.000036484    0.000016046
     62        6          -0.000016054   -0.000012415    0.000024968
     63        6          -0.000026366   -0.000020769   -0.000077936
     64        6          -0.000036023    0.000054046    0.000050623
     65        6          -0.000030174   -0.000006934   -0.000011087
     66        6           0.000120227   -0.000017837    0.000023922
     67        6          -0.000062606    0.000039071   -0.000002870
     68        6          -0.000076003    0.000007622    0.000019849
     69        6           0.000087765   -0.000076984   -0.000021848
     70        6          -0.000010696    0.000023890    0.000020159
     71        6          -0.000057577   -0.000006755   -0.000056858
     72        6           0.000054775   -0.000007105   -0.000063859
     73        6           0.000004305    0.000024327    0.000008242
     74        6          -0.000065150   -0.000092694    0.000018426
     75        6           0.000069828    0.000033475   -0.000006157
     76        6           0.000053803    0.000038410   -0.000035372
     77        6          -0.000104460   -0.000032221    0.000040022
     78        6           0.000024607   -0.000008136   -0.000020165
     79        6           0.000030533    0.000069379    0.000024683
     80        8           0.000096933   -0.000012423    0.000123783
     81       15           0.000185890    0.000136932   -0.000457780
     82        8           0.000206561   -0.000736848   -0.000037684
     83        8          -0.000100806   -0.000120448    0.000038274
     84        6           0.000006602    0.000276085    0.000062075
     85        6          -0.000011211    0.000055973    0.000009292
     86        6           0.000033471   -0.000027845   -0.000004258
     87        6          -0.000011672   -0.000010149    0.000053508
     88        1          -0.000085708   -0.000008335    0.000007311
     89        1          -0.000024640    0.000007579   -0.000041891
     90        1           0.000014676    0.000031526   -0.000006536
     91        1          -0.000032175   -0.000029356   -0.000005552
     92        1           0.000036814   -0.000007225   -0.000029458
     93        1          -0.000052813   -0.000002321   -0.000081410
     94        1           0.000068311    0.000130077   -0.000062112
     95        1           0.000009882   -0.000010322    0.000029682
     96        1          -0.000031318    0.000004373   -0.000016179
     97        1           0.000003088   -0.000040616   -0.000016558
     98        1           0.000018824   -0.000038189   -0.000046357
     99        1          -0.000045770    0.000011004    0.000026985
    100        1          -0.000038918   -0.000036925   -0.000002411
    101        1          -0.000000668    0.000006901    0.000034148
    102        1          -0.000004624    0.000065515    0.000015305
    103        1          -0.000038926   -0.000037774   -0.000012206
    104        1           0.000001410   -0.000002941   -0.000042459
    105        1           0.000012854   -0.000009013   -0.000014929
    106        1           0.000042449   -0.000034096   -0.000018176
    107        1          -0.000010839    0.000065837   -0.000001492
    108        1           0.000023456    0.000022776    0.000008284
    109        1          -0.000007134    0.000010258   -0.000023164
    110        1          -0.000022672   -0.000012038    0.000013199
    111        1           0.000001186    0.000003176   -0.000020138
    112        1           0.000010106    0.000033564    0.000030052
    113        1           0.000058851    0.000013334    0.000007568
    114        1          -0.000007413   -0.000006659    0.000015595
    115        1          -0.000006628   -0.000009421   -0.000025685
    116        1          -0.000003437   -0.000018571    0.000014815
    117        1          -0.000002199    0.000019326   -0.000018516
    118        1          -0.000015938    0.000010240    0.000010984
    119        1          -0.000009925    0.000005612   -0.000020892
    120        1           0.000057250   -0.000010879    0.000027729
    121        1           0.000036326   -0.000030335   -0.000029648
    122        1          -0.000012899    0.000003061    0.000019873
    123        1          -0.000019363    0.000006109   -0.000013005
    124        1          -0.000016634   -0.000011385    0.000022597
    125        1           0.000019741    0.000001650    0.000021456
    126        1           0.000016761    0.000005141   -0.000017192
    127        1           0.000009355    0.000011929    0.000015317
    128        1          -0.000018860   -0.000036553    0.000000516
    129        1          -0.000045008   -0.000008649    0.000033748
    130        1           0.000005947   -0.000001288   -0.000020988
    131        1           0.000015122    0.000018027    0.000007586
    132        1          -0.000002775    0.000009252   -0.000024757
    133        1          -0.000003084   -0.000057452   -0.000193263
    134        1           0.000006690   -0.000056001    0.000131169
    135        1           0.000057529   -0.000017086    0.000051560
    136        1          -0.000043690    0.000016424   -0.000040493
    137        1           0.000000411    0.000013958   -0.000007879
    138        1           0.000018036   -0.000002610    0.000006047
    139        1          -0.000005155   -0.000027336   -0.000020023
    140        1           0.000009485    0.000007151   -0.000004486
    141        1           0.000010105   -0.000005118   -0.000010996
    142        1          -0.000001024   -0.000013481   -0.000017088
    143       17          -0.000590040    0.000242171   -0.000277981
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001012281 RMS     0.000133591

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000668190 RMS     0.000062329
 Search for a local minimum.
 Step number  20 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   18   19   20
 DE= -1.81D-04 DEPred=-1.55D-04 R= 1.17D+00
 TightC=F SS=  1.41D+00  RLast= 3.50D-01 DXNew= 2.0182D+00 1.0489D+00
 Trust test= 1.17D+00 RLast= 3.50D-01 DXMaxT set to 1.20D+00
 ITU=  1 -1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00176   0.00417   0.00420   0.00622   0.00850
     Eigenvalues ---    0.01413   0.01615   0.01831   0.01949   0.02559
     Eigenvalues ---    0.02608   0.02612   0.02623   0.02672   0.02704
     Eigenvalues ---    0.02708   0.02713   0.02717   0.02724   0.02728
     Eigenvalues ---    0.02730   0.02730   0.02737   0.02743   0.02753
     Eigenvalues ---    0.02769   0.02770   0.02773   0.02774   0.02775
     Eigenvalues ---    0.02779   0.02784   0.02785   0.02786   0.02789
     Eigenvalues ---    0.02791   0.02791   0.02792   0.02792   0.02793
     Eigenvalues ---    0.02793   0.02793   0.02794   0.02797   0.02801
     Eigenvalues ---    0.02802   0.02803   0.02803   0.02805   0.02807
     Eigenvalues ---    0.02807   0.02808   0.02808   0.02809   0.02810
     Eigenvalues ---    0.02811   0.02812   0.02817   0.02817   0.02818
     Eigenvalues ---    0.02818   0.02819   0.02819   0.02820   0.02822
     Eigenvalues ---    0.02829   0.02836   0.02844   0.02844   0.02845
     Eigenvalues ---    0.02845   0.02846   0.02847   0.02849   0.02852
     Eigenvalues ---    0.02856   0.02863   0.02868   0.02868   0.02869
     Eigenvalues ---    0.02869   0.02870   0.02872   0.02873   0.02876
     Eigenvalues ---    0.02877   0.02878   0.02878   0.02879   0.02883
     Eigenvalues ---    0.02884   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02886   0.02886   0.02886   0.02886   0.02887
     Eigenvalues ---    0.02892   0.02893   0.02896   0.02897   0.02898
     Eigenvalues ---    0.02899   0.02899   0.02900   0.02903   0.02908
     Eigenvalues ---    0.02910   0.02912   0.02941   0.02941   0.02943
     Eigenvalues ---    0.02985   0.03022   0.03024   0.03025   0.03057
     Eigenvalues ---    0.03133   0.03133   0.03134   0.03137   0.03150
     Eigenvalues ---    0.03156   0.03182   0.03262   0.03454   0.03593
     Eigenvalues ---    0.04140   0.04734   0.04890   0.05375   0.05539
     Eigenvalues ---    0.05580   0.05609   0.05661   0.05727   0.05754
     Eigenvalues ---    0.07481   0.09047   0.09395   0.10503   0.11200
     Eigenvalues ---    0.11428   0.11801   0.12843   0.13660   0.15193
     Eigenvalues ---    0.15590   0.15762   0.15918   0.15967   0.15977
     Eigenvalues ---    0.15985   0.15986   0.15986   0.15988   0.15990
     Eigenvalues ---    0.15993   0.15996   0.15996   0.15997   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15998   0.15999   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16001
     Eigenvalues ---    0.16008   0.16016   0.16022   0.16032   0.16112
     Eigenvalues ---    0.16165   0.16701   0.17376   0.18736   0.20235
     Eigenvalues ---    0.20779   0.21990   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22001   0.22002
     Eigenvalues ---    0.22024   0.22402   0.22447   0.22506   0.22600
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22602   0.22698
     Eigenvalues ---    0.22962   0.22966   0.23007   0.23182   0.23297
     Eigenvalues ---    0.23472   0.23526   0.23732   0.23998   0.24013
     Eigenvalues ---    0.24185   0.24465   0.24486   0.24487   0.24489
     Eigenvalues ---    0.24531   0.24532   0.24736   0.24876   0.24975
     Eigenvalues ---    0.24983   0.24983   0.24984   0.24985   0.24985
     Eigenvalues ---    0.24993   0.24997   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25001   0.25001   0.25010   0.25019
     Eigenvalues ---    0.25060   0.25096   0.25440   0.26382   0.27929
     Eigenvalues ---    0.28176   0.29040   0.29763   0.29788   0.30435
     Eigenvalues ---    0.32016   0.32098   0.32128   0.32141   0.32147
     Eigenvalues ---    0.32151   0.32177   0.32218   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33294   0.33317
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33459   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33584   0.33586   0.33595   0.33632   0.33636
     Eigenvalues ---    0.33639   0.33643   0.33646   0.33663   0.33699
     Eigenvalues ---    0.33722   0.33739   0.33820   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33897   0.33921   0.33941
     Eigenvalues ---    0.33947   0.33954   0.33959   0.34394   0.34468
     Eigenvalues ---    0.34827   0.34921   0.35048   0.38303   0.41595
     Eigenvalues ---    0.42488   0.42955   0.44429   0.44437   0.44439
     Eigenvalues ---    0.44488   0.45689   0.46776   0.48737   0.48966
     Eigenvalues ---    0.48971   0.49036   0.49275   0.49547   0.49793
     Eigenvalues ---    0.49810   0.49834   0.49848   0.49940   0.49984
     Eigenvalues ---    0.50069   0.50160   0.50403   0.50407   0.50610
     Eigenvalues ---    0.50612   0.50615   0.50951   0.51402   0.51818
     Eigenvalues ---    0.52077   0.52303   0.52614   0.52829   0.53614
     Eigenvalues ---    0.54090   0.54113   0.54199   0.54201   0.54206
     Eigenvalues ---    0.54331   0.54500   0.55067   0.55135   0.55303
     Eigenvalues ---    0.55326   0.55342   0.55356   0.55390   0.55415
     Eigenvalues ---    0.55447   0.55514   0.55576   0.55659   0.55677
     Eigenvalues ---    0.55702   0.55707   0.55761   0.55939   0.55946
     Eigenvalues ---    0.55958   0.56147   0.56152   0.56153   0.56243
     Eigenvalues ---    0.56269   0.56308   0.56375   0.56662   0.56664
     Eigenvalues ---    0.56669   0.56670   0.56672   0.56682   0.56829
     Eigenvalues ---    0.56901   0.56915   0.56966   0.57123   0.57174
     Eigenvalues ---    0.57178   0.57190   0.57195   0.57209   0.57616
     Eigenvalues ---    0.61683   0.62530   0.66051   0.66060   0.67645
     Eigenvalues ---    0.67657   0.67661   0.69003   0.70031   0.70088
     Eigenvalues ---    0.73235   0.75972   0.80039
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    20   19   18   17   16   15   14   13   12   11
 RFO step:  Lambda=-4.38549712D-05.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 RFO-DIIS uses    8 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.60846   -0.41147   -0.31226   -0.52133    0.68559
                  RFO-DIIS coefs:    0.16498   -0.10056   -0.11341    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.01235586 RMS(Int)=  0.00007189
 Iteration  2 RMS(Cart)=  0.00006074 RMS(Int)=  0.00006886
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00006886
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64744  -0.00016  -0.00035  -0.00009  -0.00045   2.64699
    R2        2.66061   0.00007  -0.00003   0.00008   0.00003   2.66064
    R3        2.80155   0.00020   0.00120  -0.00041   0.00080   2.80235
    R4        2.64598   0.00007   0.00012  -0.00003   0.00011   2.64608
    R5        2.04847   0.00008   0.00007   0.00012   0.00019   2.04865
    R6        2.66525  -0.00014  -0.00058  -0.00004  -0.00041   2.66484
    R7        2.78950  -0.00013  -0.00008  -0.00054  -0.00050   2.78900
    R8        2.64673   0.00012   0.00024  -0.00004   0.00021   2.64694
    R9        2.77963   0.00022   0.00004   0.00053   0.00062   2.78026
   R10        2.61972   0.00003  -0.00021   0.00037   0.00015   2.61987
   R11        2.04834  -0.00002   0.00006  -0.00013  -0.00007   2.04827
   R12        2.05083   0.00003   0.00004   0.00003   0.00007   2.05090
   R13        2.67914  -0.00004  -0.00001  -0.00007  -0.00015   2.67899
   R14        2.64456  -0.00003  -0.00004  -0.00007  -0.00010   2.64446
   R15        2.83267   0.00010  -0.00186   0.00154  -0.00049   2.83218
   R16        2.64568   0.00009   0.00032  -0.00003   0.00028   2.64596
   R17        2.83886  -0.00008  -0.00182   0.00157  -0.00053   2.83833
   R18        2.68983   0.00001  -0.00065   0.00138   0.00076   2.69060
   R19        4.00165  -0.00014   0.00014   0.00016   0.00051   4.00216
   R20        2.43442   0.00016   0.00037  -0.00001   0.00032   2.43475
   R21        2.64724  -0.00003  -0.00018   0.00006  -0.00009   2.64715
   R22        2.04767   0.00002   0.00013  -0.00003   0.00010   2.04777
   R23        2.65043   0.00000   0.00035  -0.00017   0.00018   2.65061
   R24        2.79993   0.00030  -0.00043   0.00064   0.00021   2.80015
   R25        2.62334   0.00007  -0.00023   0.00030   0.00007   2.62341
   R26        2.05021   0.00002   0.00010  -0.00005   0.00005   2.05026
   R27        2.04143  -0.00005   0.00011  -0.00019  -0.00008   2.04135
   R28        2.69826  -0.00014  -0.00127   0.00037  -0.00087   2.69739
   R29        3.33333   0.00014  -0.00134   0.00079  -0.00056   3.33277
   R30        5.38998   0.00009  -0.00591   0.00615   0.00004   5.39002
   R31        2.67138   0.00002   0.00041  -0.00033   0.00026   2.67165
   R32        2.65190   0.00031   0.00044   0.00029   0.00073   2.65263
   R33        2.61673  -0.00067  -0.00130  -0.00007  -0.00124   2.61549
   R34        2.64995   0.00015   0.00037  -0.00003   0.00035   2.65030
   R35        2.62468  -0.00003  -0.00033   0.00020  -0.00014   2.62454
   R36        2.03822  -0.00013   0.00008  -0.00038  -0.00030   2.03792
   R37        2.65920   0.00000   0.00022  -0.00015   0.00006   2.65925
   R38        2.05109   0.00002   0.00006  -0.00002   0.00004   2.05113
   R39        2.63391  -0.00014  -0.00028  -0.00010  -0.00038   2.63353
   R40        2.80089   0.00018   0.00026   0.00001   0.00028   2.80117
   R41        2.04931   0.00002   0.00007  -0.00002   0.00004   2.04935
   R42        2.65612  -0.00003  -0.00018   0.00003  -0.00015   2.65597
   R43        2.65606  -0.00005  -0.00019  -0.00005  -0.00023   2.65582
   R44        2.65584  -0.00000   0.00011  -0.00007   0.00003   2.65588
   R45        2.65583   0.00006   0.00006   0.00003   0.00009   2.65592
   R46        2.65547   0.00002   0.00003   0.00003   0.00006   2.65553
   R47        2.65567   0.00003   0.00005  -0.00003   0.00002   2.65570
   R48        2.62891  -0.00002  -0.00011   0.00003  -0.00008   2.62883
   R49        2.05114   0.00001   0.00002  -0.00002   0.00000   2.05114
   R50        2.64718   0.00003   0.00016  -0.00011   0.00005   2.64722
   R51        2.04983   0.00006   0.00003   0.00015   0.00018   2.05001
   R52        2.64695   0.00001  -0.00005   0.00001  -0.00004   2.64691
   R53        2.67986  -0.00006   0.00035  -0.00020   0.00015   2.68002
   R54        2.62908   0.00002   0.00000   0.00005   0.00005   2.62913
   R55        2.04984   0.00005   0.00004   0.00012   0.00016   2.05000
   R56        2.05141  -0.00002   0.00004  -0.00010  -0.00007   2.05134
   R57        2.62905   0.00002   0.00005   0.00008   0.00013   2.62918
   R58        2.05112   0.00002  -0.00000   0.00003   0.00002   2.05114
   R59        2.64696   0.00002  -0.00018   0.00010  -0.00008   2.64688
   R60        2.04981   0.00006   0.00006   0.00014   0.00021   2.05002
   R61        2.64705   0.00002  -0.00015   0.00001  -0.00014   2.64691
   R62        2.67964   0.00008   0.00075  -0.00013   0.00062   2.68027
   R63        2.62890   0.00004   0.00017   0.00003   0.00020   2.62910
   R64        2.04988   0.00005   0.00011   0.00006   0.00017   2.05005
   R65        2.05132   0.00003   0.00004  -0.00001   0.00003   2.05135
   R66        2.62956  -0.00001  -0.00007   0.00005  -0.00002   2.62954
   R67        2.05147   0.00001   0.00002  -0.00001   0.00000   2.05147
   R68        2.64644   0.00004  -0.00007   0.00006  -0.00001   2.64643
   R69        2.04995   0.00006   0.00005   0.00011   0.00017   2.05012
   R70        2.64684   0.00001  -0.00016   0.00005  -0.00011   2.64673
   R71        2.68083   0.00004   0.00060  -0.00012   0.00048   2.68131
   R72        2.62909   0.00002   0.00008   0.00001   0.00009   2.62918
   R73        2.04991   0.00006   0.00006   0.00014   0.00019   2.05010
   R74        2.05130  -0.00001   0.00001  -0.00005  -0.00004   2.05126
   R75        2.64804  -0.00015  -0.00009  -0.00036  -0.00045   2.64759
   R76        2.64794  -0.00015  -0.00006  -0.00036  -0.00042   2.64751
   R77        2.64763  -0.00003   0.00034  -0.00036  -0.00002   2.64761
   R78        2.64774  -0.00002   0.00027  -0.00032  -0.00005   2.64769
   R79        2.64742  -0.00012  -0.00002  -0.00033  -0.00035   2.64707
   R80        2.64700  -0.00008   0.00001  -0.00029  -0.00028   2.64672
   R81        2.67963   0.00002  -0.00016   0.00018   0.00002   2.67965
   R82        2.64099   0.00001  -0.00010   0.00005  -0.00005   2.64094
   R83        2.73654   0.00000  -0.00009   0.00011   0.00002   2.73656
   R84        2.64470   0.00005   0.00009   0.00000   0.00009   2.64479
   R85        2.67956   0.00003  -0.00016   0.00019   0.00003   2.67959
   R86        2.64472   0.00006   0.00006   0.00002   0.00008   2.64480
   R87        2.64093   0.00003  -0.00009   0.00006  -0.00002   2.64090
   R88        2.67947   0.00006  -0.00008   0.00023   0.00015   2.67962
   R89        2.64103   0.00003  -0.00021   0.00015  -0.00006   2.64097
   R90        2.73643  -0.00000   0.00002   0.00006   0.00008   2.73651
   R91        2.64471   0.00006   0.00011   0.00002   0.00013   2.64483
   R92        2.67957   0.00004  -0.00010   0.00021   0.00012   2.67969
   R93        2.64466   0.00007   0.00015  -0.00000   0.00014   2.64480
   R94        2.64106   0.00001  -0.00017   0.00008  -0.00009   2.64098
   R95        2.67970   0.00004  -0.00010   0.00019   0.00009   2.67979
   R96        2.64109   0.00001  -0.00016   0.00008  -0.00008   2.64100
   R97        2.73639  -0.00000   0.00001   0.00006   0.00007   2.73646
   R98        2.64479   0.00006   0.00013   0.00000   0.00013   2.64492
   R99        2.67980   0.00006  -0.00011   0.00025   0.00013   2.67994
   R100       2.64474   0.00006   0.00013  -0.00000   0.00013   2.64486
   R101       2.64111   0.00003  -0.00016   0.00011  -0.00004   2.64106
   R102       2.62963   0.00003   0.00013  -0.00002   0.00011   2.62974
   R103       2.05271   0.00000  -0.00000  -0.00000  -0.00001   2.05271
   R104       2.65513   0.00006  -0.00015   0.00022   0.00007   2.65519
   R105       2.05140   0.00001   0.00006  -0.00004   0.00002   2.05142
   R106       2.63276  -0.00002   0.00010  -0.00012  -0.00002   2.63273
   R107       2.05226   0.00001   0.00001  -0.00001  -0.00000   2.05226
   R108       2.04880   0.00004   0.00005   0.00007   0.00012   2.04891
   R109       2.63277  -0.00003   0.00011  -0.00014  -0.00003   2.63274
   R110       2.04876   0.00006   0.00003   0.00014   0.00016   2.04893
   R111       2.65513   0.00006  -0.00016   0.00022   0.00006   2.65519
   R112       2.05229   0.00000   0.00001  -0.00002  -0.00000   2.05229
   R113       2.62964   0.00004   0.00013  -0.00000   0.00013   2.62977
   R114       2.05143   0.00001   0.00006  -0.00003   0.00003   2.05146
   R115       2.05272   0.00000   0.00000  -0.00001  -0.00001   2.05271
   R116       2.62965   0.00003   0.00015  -0.00004   0.00010   2.62976
   R117       2.05274   0.00000   0.00000  -0.00001  -0.00000   2.05274
   R118       2.65511   0.00008  -0.00010   0.00022   0.00012   2.65523
   R119       2.05144   0.00001   0.00007  -0.00004   0.00003   2.05147
   R120       2.63277  -0.00003   0.00010  -0.00014  -0.00004   2.63273
   R121       2.05229   0.00001   0.00001  -0.00002  -0.00000   2.05229
   R122       2.04873   0.00005   0.00007   0.00010   0.00017   2.04890
   R123       2.63275  -0.00003   0.00011  -0.00014  -0.00003   2.63272
   R124       2.04876   0.00004   0.00009   0.00005   0.00014   2.04890
   R125       2.65515   0.00007  -0.00009   0.00019   0.00010   2.65525
   R126       2.05228   0.00001   0.00002  -0.00002   0.00000   2.05228
   R127       2.62964   0.00003   0.00017  -0.00005   0.00012   2.62976
   R128       2.05143   0.00001   0.00007  -0.00003   0.00003   2.05146
   R129       2.05273   0.00000   0.00000  -0.00001  -0.00000   2.05273
   R130       2.62969   0.00003   0.00017  -0.00006   0.00011   2.62981
   R131       2.05275   0.00000   0.00000  -0.00001  -0.00000   2.05275
   R132       2.65523   0.00007  -0.00011   0.00019   0.00008   2.65532
   R133       2.05146   0.00001   0.00006  -0.00003   0.00003   2.05148
   R134       2.63273  -0.00003   0.00011  -0.00015  -0.00004   2.63269
   R135       2.05236   0.00001   0.00002  -0.00002  -0.00000   2.05235
   R136       2.04885   0.00004   0.00009   0.00002   0.00012   2.04897
   R137       2.63267  -0.00003   0.00011  -0.00014  -0.00004   2.63264
   R138       2.04880   0.00005   0.00008   0.00006   0.00014   2.04894
   R139       2.65529   0.00007  -0.00011   0.00021   0.00010   2.65539
   R140       2.05229   0.00001   0.00001  -0.00002  -0.00000   2.05228
   R141       2.62960   0.00003   0.00017  -0.00006   0.00011   2.62971
   R142       2.05144   0.00001   0.00006  -0.00004   0.00003   2.05147
   R143       2.05275   0.00000   0.00000  -0.00001  -0.00000   2.05275
   R144       2.78528  -0.00003   0.00017  -0.00026  -0.00009   2.78519
   R145       3.02786  -0.00016  -0.00060   0.00083   0.00021   3.02806
   R146       3.04511   0.00007  -0.00086   0.00065  -0.00021   3.04491
   R147       2.76625   0.00022   0.00116   0.00030   0.00142   2.76767
   R148       2.75487   0.00009  -0.00005   0.00023   0.00018   2.75505
   R149       2.86340  -0.00001  -0.00041   0.00018  -0.00023   2.86317
   R150       2.06416   0.00003   0.00012   0.00024   0.00038   2.06454
   R151       2.06313   0.00011  -0.00003   0.00034   0.00031   2.06344
   R152       2.06859   0.00003  -0.00002   0.00008   0.00006   2.06865
   R153       2.06706  -0.00002   0.00000  -0.00012  -0.00012   2.06694
   R154       2.06664   0.00001   0.00003  -0.00000   0.00002   2.06666
   R155       2.86365  -0.00000  -0.00012   0.00006  -0.00005   2.86360
   R156       2.06952   0.00002  -0.00002   0.00002  -0.00001   2.06951
   R157       2.06727   0.00001  -0.00001   0.00004   0.00003   2.06729
   R158       2.06622   0.00001   0.00004  -0.00002   0.00002   2.06624
   R159       2.06818   0.00000   0.00001   0.00001   0.00001   2.06819
   R160       2.06597   0.00002   0.00006  -0.00003   0.00003   2.06600
   R161       5.74349   0.00011   0.00269   0.00362   0.00632   5.74980
   R162       6.16959   0.00016   0.00231   0.00538   0.00769   6.17728
    A1        2.06330   0.00002   0.00048  -0.00007   0.00041   2.06371
    A2        2.10932  -0.00001  -0.00010  -0.00006  -0.00016   2.10916
    A3        2.11057  -0.00001  -0.00038   0.00013  -0.00025   2.11031
    A4        2.12770   0.00003  -0.00029  -0.00005  -0.00029   2.12741
    A5        2.07120  -0.00006  -0.00018   0.00002  -0.00018   2.07102
    A6        2.08350   0.00003   0.00045   0.00006   0.00049   2.08399
    A7        2.07165   0.00003  -0.00008   0.00040   0.00024   2.07189
    A8        2.14540  -0.00002   0.00051  -0.00028   0.00002   2.14542
    A9        2.06317  -0.00001  -0.00026  -0.00027  -0.00026   2.06290
   A10        2.09015  -0.00004   0.00050  -0.00045   0.00002   2.09016
   A11        2.09689   0.00002  -0.00011  -0.00023  -0.00018   2.09671
   A12        2.09549   0.00002  -0.00043   0.00074   0.00016   2.09565
   A13        2.10521   0.00002  -0.00037   0.00024  -0.00008   2.10513
   A14        2.06638   0.00001  -0.00001   0.00014   0.00012   2.06650
   A15        2.11148  -0.00003   0.00038  -0.00038  -0.00002   2.11146
   A16        2.10675  -0.00005  -0.00015  -0.00009  -0.00024   2.10651
   A17        2.08867   0.00004   0.00010  -0.00009   0.00001   2.08868
   A18        2.08775   0.00001   0.00005   0.00018   0.00023   2.08798
   A19        2.09460  -0.00001  -0.00001  -0.00018  -0.00019   2.09441
   A20        2.10625  -0.00004   0.00043  -0.00040   0.00004   2.10630
   A21        2.07531   0.00004  -0.00021   0.00044   0.00018   2.07549
   A22        2.07185   0.00007   0.00003   0.00052   0.00029   2.07215
   A23        2.06812  -0.00011   0.00022  -0.00069  -0.00037   2.06774
   A24        2.13816   0.00004  -0.00013   0.00024   0.00024   2.13840
   A25        1.94712  -0.00016   0.00068  -0.00313  -0.00172   1.94540
   A26        2.05460   0.00010   0.00092  -0.00090   0.00096   2.05557
   A27        1.86541   0.00008   0.00008   0.00167   0.00154   1.86695
   A28        2.01945  -0.00011  -0.00008  -0.00133  -0.00074   2.01871
   A29        1.68265   0.00002  -0.00177   0.00289   0.00083   1.68348
   A30        2.02633  -0.00003  -0.00042   0.00012  -0.00029   2.02604
   A31        2.08475   0.00004  -0.00024  -0.00015  -0.00021   2.08454
   A32        2.16949  -0.00001   0.00069   0.00012   0.00057   2.17006
   A33        2.13677   0.00007   0.00002   0.00008   0.00011   2.13688
   A34        2.07622   0.00000   0.00053  -0.00035   0.00018   2.07640
   A35        2.06729  -0.00008  -0.00052   0.00021  -0.00032   2.06697
   A36        2.05310  -0.00005   0.00019  -0.00032  -0.00012   2.05299
   A37        2.10950   0.00005  -0.00012   0.00024   0.00011   2.10961
   A38        2.11987  -0.00000  -0.00008   0.00008  -0.00001   2.11986
   A39        2.10866  -0.00003  -0.00017   0.00005  -0.00013   2.10853
   A40        2.09462   0.00004  -0.00026   0.00028   0.00003   2.09465
   A41        2.07970  -0.00001   0.00043  -0.00034   0.00010   2.07980
   A42        2.11920   0.00007  -0.00013   0.00038   0.00022   2.11942
   A43        2.09990   0.00002  -0.00017   0.00013  -0.00002   2.09988
   A44        2.06375  -0.00008   0.00026  -0.00049  -0.00022   2.06353
   A45        2.07924   0.00001  -0.00008   0.00081   0.00038   2.07962
   A46        2.05186   0.00006   0.00253  -0.00088   0.00185   2.05371
   A47        2.07917   0.00001   0.00076   0.00113   0.00200   2.08116
   A48        2.05002   0.00004   0.00062   0.00324   0.00388   2.05390
   A49        1.53722   0.00020   0.00430   0.00046   0.00469   1.54190
   A50        2.07746   0.00000   0.00034  -0.00024   0.00018   2.07764
   A51        2.15052   0.00027   0.00009   0.00083   0.00085   2.15137
   A52        2.05425  -0.00027  -0.00042  -0.00059  -0.00103   2.05322
   A53        2.14064   0.00005  -0.00041   0.00012  -0.00012   2.14051
   A54        2.10237   0.00008   0.00003   0.00035   0.00032   2.10270
   A55        2.04010  -0.00013   0.00040  -0.00047  -0.00020   2.03991
   A56        2.07788   0.00005  -0.00044   0.00046  -0.00000   2.07788
   A57        2.10886   0.00015   0.00026   0.00038   0.00065   2.10951
   A58        2.10540   0.00002  -0.00005   0.00041   0.00035   2.10576
   A59        2.06892  -0.00017  -0.00021  -0.00079  -0.00101   2.06791
   A60        2.13237   0.00001   0.00012  -0.00010   0.00002   2.13239
   A61        2.06377  -0.00002  -0.00014   0.00007  -0.00008   2.06369
   A62        2.08685   0.00001   0.00004   0.00002   0.00005   2.08690
   A63        2.03928  -0.00007  -0.00013  -0.00020  -0.00031   2.03896
   A64        2.12182  -0.00001  -0.00010   0.00006  -0.00005   2.12177
   A65        2.12208   0.00007   0.00023   0.00014   0.00036   2.12244
   A66        2.12913   0.00010   0.00016   0.00016   0.00034   2.12948
   A67        2.03260  -0.00008  -0.00043   0.00001  -0.00043   2.03216
   A68        2.12116  -0.00002   0.00027  -0.00017   0.00008   2.12124
   A69        2.11238  -0.00007  -0.00062   0.00007  -0.00054   2.11184
   A70        2.11678  -0.00002  -0.00018  -0.00011  -0.00029   2.11649
   A71        2.05402   0.00008   0.00080   0.00003   0.00083   2.05485
   A72        2.11713  -0.00003  -0.00021   0.00001  -0.00020   2.11694
   A73        2.11074   0.00006  -0.00032   0.00035   0.00003   2.11077
   A74        2.05531  -0.00002   0.00053  -0.00036   0.00017   2.05548
   A75        2.11557  -0.00007  -0.00044  -0.00007  -0.00051   2.11506
   A76        2.11316   0.00007  -0.00010   0.00028   0.00018   2.11334
   A77        2.05445  -0.00000   0.00054  -0.00021   0.00033   2.05478
   A78        2.11720   0.00001  -0.00035   0.00026  -0.00009   2.11711
   A79        2.08688   0.00003  -0.00052   0.00048  -0.00004   2.08684
   A80        2.07819  -0.00005   0.00092  -0.00077   0.00015   2.07833
   A81        2.09825   0.00002  -0.00006   0.00001  -0.00005   2.09820
   A82        2.10001  -0.00002   0.00066  -0.00046   0.00020   2.10021
   A83        2.08469  -0.00000  -0.00059   0.00045  -0.00014   2.08455
   A84        2.08001  -0.00002   0.00028  -0.00012   0.00016   2.08017
   A85        2.10153  -0.00002  -0.00011  -0.00008  -0.00019   2.10134
   A86        2.10164   0.00004  -0.00017   0.00020   0.00003   2.10167
   A87        2.09783   0.00000  -0.00007   0.00001  -0.00006   2.09777
   A88        2.08496   0.00001  -0.00046   0.00039  -0.00006   2.08489
   A89        2.10014  -0.00001   0.00053  -0.00039   0.00014   2.10028
   A90        2.11760   0.00001  -0.00033   0.00020  -0.00013   2.11748
   A91        2.08465   0.00004  -0.00043   0.00048   0.00005   2.08470
   A92        2.07995  -0.00005   0.00082  -0.00073   0.00009   2.08005
   A93        2.11795  -0.00004  -0.00048  -0.00001  -0.00050   2.11745
   A94        2.08556   0.00004   0.00009  -0.00001   0.00008   2.08564
   A95        2.07875   0.00000   0.00040   0.00003   0.00043   2.07918
   A96        2.09839  -0.00001  -0.00015  -0.00004  -0.00018   2.09821
   A97        2.09943   0.00000   0.00071  -0.00032   0.00039   2.09983
   A98        2.08511   0.00000  -0.00056   0.00036  -0.00019   2.08491
   A99        2.07945   0.00001   0.00051   0.00001   0.00052   2.07998
   A100       2.10238  -0.00004  -0.00050   0.00009  -0.00041   2.10196
   A101       2.10135   0.00002  -0.00001  -0.00010  -0.00011   2.10124
   A102       2.09807  -0.00001  -0.00023  -0.00000  -0.00023   2.09784
   A103       2.08482   0.00001  -0.00047   0.00038  -0.00009   2.08473
   A104       2.10003  -0.00000   0.00071  -0.00036   0.00034   2.10037
   A105       2.11833  -0.00004  -0.00046   0.00002  -0.00045   2.11789
   A106       2.08592   0.00003  -0.00003   0.00004   0.00001   2.08593
   A107       2.07804   0.00001   0.00051  -0.00006   0.00044   2.07849
   A108       2.11793   0.00000  -0.00030   0.00014  -0.00016   2.11778
   A109       2.08707   0.00001  -0.00016   0.00011  -0.00005   2.08702
   A110       2.07732  -0.00002   0.00047  -0.00026   0.00021   2.07753
   A111       2.09818   0.00000  -0.00018   0.00002  -0.00016   2.09802
   A112       2.09996  -0.00001   0.00076  -0.00048   0.00027   2.10023
   A113       2.08480   0.00001  -0.00056   0.00046  -0.00011   2.08470
   A114       2.07950  -0.00001   0.00045  -0.00014   0.00031   2.07982
   A115       2.10170   0.00002  -0.00031   0.00021  -0.00010   2.10159
   A116       2.10199  -0.00001  -0.00014  -0.00007  -0.00021   2.10178
   A117       2.09835   0.00001  -0.00012   0.00004  -0.00008   2.09828
   A118       2.08499  -0.00000  -0.00056   0.00039  -0.00016   2.08482
   A119       2.09960  -0.00001   0.00070  -0.00044   0.00025   2.09985
   A120       2.11783  -0.00001  -0.00041   0.00016  -0.00025   2.11758
   A121       2.08548   0.00004  -0.00016   0.00026   0.00009   2.08557
   A122       2.07913  -0.00003   0.00060  -0.00043   0.00017   2.07930
   A123       2.19600  -0.00001   0.00010  -0.00009   0.00001   2.19602
   A124       2.19663  -0.00007  -0.00009  -0.00022  -0.00031   2.19632
   A125       1.89055   0.00008  -0.00001   0.00031   0.00030   1.89085
   A126       2.19631  -0.00003   0.00010  -0.00022  -0.00011   2.19620
   A127       2.19606  -0.00000   0.00010  -0.00010   0.00000   2.19606
   A128       1.89081   0.00003  -0.00020   0.00031   0.00011   1.89092
   A129       2.19635  -0.00007   0.00003  -0.00031  -0.00028   2.19607
   A130       2.19613   0.00001   0.00004   0.00001   0.00005   2.19618
   A131       1.89071   0.00006  -0.00008   0.00030   0.00023   1.89094
   A132       1.90147  -0.00001   0.00002  -0.00009  -0.00007   1.90140
   A133       2.25973  -0.00001  -0.00025   0.00008  -0.00017   2.25956
   A134       2.12149   0.00002   0.00022   0.00003   0.00025   2.12174
   A135       1.86552  -0.00000   0.00007  -0.00005   0.00001   1.86554
   A136       2.08637  -0.00002  -0.00020   0.00001  -0.00019   2.08617
   A137       2.33122   0.00002   0.00015   0.00005   0.00020   2.33142
   A138       1.86547   0.00000   0.00007  -0.00005   0.00002   1.86549
   A139       2.33128   0.00001   0.00013   0.00002   0.00015   2.33143
   A140       2.08636  -0.00001  -0.00019   0.00003  -0.00015   2.08621
   A141       1.90150  -0.00002   0.00004  -0.00011  -0.00007   1.90143
   A142       2.25974   0.00001  -0.00027   0.00015  -0.00011   2.25963
   A143       2.12145   0.00001   0.00022  -0.00003   0.00020   2.12165
   A144       1.90160  -0.00001   0.00002  -0.00010  -0.00008   1.90152
   A145       2.25982  -0.00001  -0.00056   0.00027  -0.00030   2.25952
   A146       2.12124   0.00002   0.00057  -0.00014   0.00042   2.12166
   A147       1.86551  -0.00003  -0.00001  -0.00006  -0.00007   1.86544
   A148       2.08660  -0.00003  -0.00042   0.00005  -0.00037   2.08623
   A149       2.33099   0.00006   0.00046   0.00001   0.00046   2.33145
   A150       1.86558  -0.00003  -0.00003  -0.00006  -0.00009   1.86549
   A151       2.33092   0.00006   0.00047   0.00000   0.00047   2.33139
   A152       2.08661  -0.00003  -0.00042   0.00005  -0.00036   2.08624
   A153       1.90154  -0.00001   0.00003  -0.00009  -0.00006   1.90147
   A154       2.25993  -0.00003  -0.00054   0.00020  -0.00034   2.25960
   A155       2.12117   0.00004   0.00054  -0.00009   0.00045   2.12162
   A156       1.90165   0.00000   0.00006  -0.00008  -0.00002   1.90163
   A157       2.25958  -0.00003  -0.00054   0.00022  -0.00032   2.25925
   A158       2.12147   0.00003   0.00051  -0.00013   0.00038   2.12185
   A159       1.86536  -0.00002  -0.00002  -0.00006  -0.00008   1.86528
   A160       2.08643  -0.00003  -0.00041   0.00010  -0.00032   2.08611
   A161       2.33132   0.00005   0.00045  -0.00003   0.00041   2.33173
   A162       1.86529  -0.00002  -0.00002  -0.00002  -0.00004   1.86525
   A163       2.33142   0.00004   0.00045  -0.00008   0.00037   2.33179
   A164       2.08640  -0.00002  -0.00041   0.00010  -0.00031   2.08608
   A165       1.90177  -0.00002   0.00005  -0.00014  -0.00009   1.90168
   A166       2.25961   0.00001  -0.00053   0.00032  -0.00021   2.25940
   A167       2.12131   0.00001   0.00051  -0.00017   0.00034   2.12165
   A168       2.07986  -0.00001  -0.00004  -0.00001  -0.00005   2.07981
   A169       2.10004   0.00003   0.00031  -0.00009   0.00022   2.10026
   A170       2.10328  -0.00001  -0.00028   0.00010  -0.00018   2.10310
   A171       2.10403   0.00001   0.00017  -0.00004   0.00013   2.10416
   A172       2.09208  -0.00002  -0.00027   0.00004  -0.00023   2.09185
   A173       2.08706   0.00001   0.00010  -0.00000   0.00010   2.08716
   A174       2.11978  -0.00002  -0.00019   0.00007  -0.00011   2.11967
   A175       2.08510   0.00000   0.00004  -0.00000   0.00003   2.08514
   A176       2.07829   0.00001   0.00015  -0.00007   0.00008   2.07837
   A177       2.05473   0.00002  -0.00001  -0.00002  -0.00002   2.05471
   A178       2.11734  -0.00000  -0.00020   0.00011  -0.00009   2.11725
   A179       2.11109  -0.00001   0.00020  -0.00009   0.00011   2.11120
   A180       2.05463   0.00001   0.00002  -0.00006  -0.00004   2.05459
   A181       2.11739  -0.00000  -0.00025   0.00018  -0.00007   2.11732
   A182       2.11114  -0.00001   0.00023  -0.00012   0.00011   2.11125
   A183       2.11987  -0.00002  -0.00021   0.00008  -0.00013   2.11974
   A184       2.07815   0.00001   0.00019  -0.00010   0.00009   2.07824
   A185       2.08515   0.00000   0.00003   0.00002   0.00004   2.08520
   A186       2.10401   0.00002   0.00019  -0.00002   0.00016   2.10417
   A187       2.08715   0.00001   0.00008   0.00001   0.00009   2.08724
   A188       2.09201  -0.00002  -0.00027   0.00002  -0.00025   2.09176
   A189       2.07985  -0.00002  -0.00003  -0.00003  -0.00006   2.07979
   A190       2.10003   0.00003   0.00031  -0.00008   0.00022   2.10025
   A191       2.10330  -0.00001  -0.00028   0.00011  -0.00017   2.10313
   A192       2.07985  -0.00002  -0.00004  -0.00000  -0.00004   2.07981
   A193       2.09994   0.00003   0.00036  -0.00009   0.00028   2.10022
   A194       2.10338  -0.00002  -0.00032   0.00009  -0.00023   2.10315
   A195       2.10386   0.00003   0.00030  -0.00005   0.00026   2.10412
   A196       2.09210  -0.00003  -0.00032   0.00004  -0.00029   2.09182
   A197       2.08721   0.00000   0.00002   0.00001   0.00003   2.08724
   A198       2.11995  -0.00002  -0.00025   0.00007  -0.00018   2.11978
   A199       2.08524  -0.00000  -0.00003   0.00000  -0.00003   2.08521
   A200       2.07799   0.00002   0.00028  -0.00007   0.00021   2.07820
   A201       2.05476   0.00001  -0.00013   0.00002  -0.00011   2.05465
   A202       2.11755  -0.00002  -0.00036   0.00012  -0.00024   2.11730
   A203       2.11086   0.00001   0.00049  -0.00013   0.00036   2.11122
   A204       2.05473   0.00001  -0.00015   0.00007  -0.00008   2.05465
   A205       2.11753  -0.00002  -0.00046   0.00016  -0.00030   2.11723
   A206       2.11089   0.00001   0.00061  -0.00022   0.00038   2.11128
   A207       2.11993  -0.00002  -0.00025   0.00006  -0.00019   2.11974
   A208       2.07804   0.00003   0.00027  -0.00003   0.00024   2.07827
   A209       2.08522  -0.00000  -0.00002  -0.00002  -0.00004   2.08517
   A210       2.10389   0.00003   0.00031  -0.00006   0.00025   2.10414
   A211       2.08714   0.00000   0.00002   0.00002   0.00004   2.08718
   A212       2.09214  -0.00003  -0.00032   0.00004  -0.00029   2.09185
   A213       2.07981  -0.00001  -0.00005   0.00004  -0.00002   2.07979
   A214       2.09995   0.00003   0.00035  -0.00007   0.00028   2.10023
   A215       2.10342  -0.00002  -0.00030   0.00004  -0.00026   2.10316
   A216       2.07994  -0.00001  -0.00002  -0.00000  -0.00003   2.07992
   A217       2.09993   0.00003   0.00033  -0.00005   0.00027   2.10020
   A218       2.10331  -0.00002  -0.00030   0.00006  -0.00025   2.10306
   A219       2.10391   0.00002   0.00029  -0.00006   0.00023   2.10414
   A220       2.09208  -0.00003  -0.00031   0.00002  -0.00029   2.09179
   A221       2.08719   0.00000   0.00003   0.00003   0.00006   2.08725
   A222       2.11990  -0.00002  -0.00026   0.00008  -0.00018   2.11972
   A223       2.08510  -0.00000  -0.00001  -0.00001  -0.00002   2.08508
   A224       2.07818   0.00002   0.00027  -0.00008   0.00020   2.07838
   A225       2.05476   0.00002  -0.00010   0.00005  -0.00005   2.05471
   A226       2.11697  -0.00001  -0.00038   0.00019  -0.00019   2.11678
   A227       2.11143  -0.00001   0.00048  -0.00025   0.00024   2.11167
   A228       2.05455   0.00001  -0.00011   0.00003  -0.00007   2.05448
   A229       2.11742  -0.00002  -0.00039   0.00014  -0.00025   2.11717
   A230       2.11119   0.00000   0.00050  -0.00018   0.00032   2.11151
   A231       2.11999  -0.00002  -0.00026   0.00008  -0.00018   2.11981
   A232       2.07802   0.00002   0.00028  -0.00008   0.00020   2.07822
   A233       2.08517  -0.00000  -0.00002   0.00000  -0.00002   2.08515
   A234       2.10398   0.00002   0.00029  -0.00006   0.00023   2.10421
   A235       2.08711   0.00001   0.00003   0.00003   0.00006   2.08717
   A236       2.09208  -0.00003  -0.00031   0.00002  -0.00029   2.09179
   A237       2.07979  -0.00002  -0.00002  -0.00001  -0.00004   2.07975
   A238       2.10002   0.00003   0.00035  -0.00008   0.00027   2.10029
   A239       2.10336  -0.00001  -0.00033   0.00009  -0.00023   2.10313
   A240       2.02424  -0.00001  -0.00138   0.00022  -0.00114   2.02309
   A241       1.84117  -0.00003   0.00023   0.00044   0.00063   1.84180
   A242       1.71943   0.00030   0.00052   0.00143   0.00196   1.72139
   A243       2.02941  -0.00005   0.00044  -0.00156  -0.00114   2.02826
   A244       2.02593  -0.00011   0.00207  -0.00114   0.00092   2.02685
   A245       1.78241  -0.00004  -0.00202   0.00120  -0.00076   1.78166
   A246       2.11920  -0.00011  -0.00068  -0.00055  -0.00160   2.11760
   A247       2.06111   0.00009   0.00045   0.00018   0.00063   2.06174
   A248       1.88057  -0.00015  -0.00174   0.00042  -0.00125   1.87931
   A249       1.87448   0.00005   0.00124  -0.00004   0.00122   1.87569
   A250       1.89530   0.00008  -0.00038   0.00152   0.00104   1.89635
   A251       1.95629   0.00008   0.00150  -0.00138   0.00011   1.95640
   A252       1.96101   0.00004   0.00088  -0.00098  -0.00006   1.96095
   A253       1.89337  -0.00009  -0.00152   0.00059  -0.00093   1.89243
   A254       1.90838   0.00013   0.00015   0.00096   0.00111   1.90949
   A255       1.93980  -0.00010   0.00003  -0.00092  -0.00090   1.93890
   A256       1.93835  -0.00002  -0.00016  -0.00002  -0.00019   1.93816
   A257       1.89017  -0.00001   0.00002   0.00004   0.00005   1.89023
   A258       1.88997  -0.00004  -0.00017   0.00007  -0.00010   1.88987
   A259       1.89587   0.00004   0.00014  -0.00010   0.00004   1.89591
   A260       1.88124   0.00004  -0.00004   0.00024   0.00021   1.88144
   A261       1.89113  -0.00001  -0.00012   0.00010  -0.00001   1.89111
   A262       1.89412   0.00001  -0.00026   0.00039   0.00013   1.89425
   A263       1.94725  -0.00003   0.00006  -0.00029  -0.00023   1.94702
   A264       1.95123  -0.00002   0.00034  -0.00039  -0.00006   1.95117
   A265       1.89725   0.00002  -0.00001  -0.00002  -0.00003   1.89722
   A266       1.93738  -0.00001  -0.00012  -0.00004  -0.00017   1.93722
   A267       1.91351   0.00002   0.00003   0.00007   0.00010   1.91361
   A268       1.93403   0.00002   0.00029  -0.00004   0.00025   1.93427
   A269       1.89201  -0.00001  -0.00006   0.00001  -0.00006   1.89196
   A270       1.89333  -0.00001  -0.00005   0.00000  -0.00005   1.89328
   A271       1.89248  -0.00002  -0.00009   0.00001  -0.00008   1.89239
   A272       1.86851   0.00011   0.00289   0.00092   0.00376   1.87227
   A273       1.64485   0.00005   0.00284  -0.00004   0.00273   1.64758
   A274       1.79987  -0.00018  -0.00543  -0.00406  -0.00943   1.79044
   A275       1.82103  -0.00013  -0.00113  -0.00139  -0.00255   1.81848
   A276       1.30411  -0.00016  -0.00618  -0.00322  -0.00945   1.29466
   A277       1.36350  -0.00009  -0.00251  -0.00109  -0.00358   1.35991
   A278       0.56557  -0.00001  -0.00054  -0.00027  -0.00081   0.56476
    D1        0.01051   0.00001   0.00113  -0.00053   0.00058   0.01109
    D2        3.10940   0.00001   0.00084   0.00041   0.00123   3.11063
    D3       -3.13013   0.00000   0.00160  -0.00112   0.00047  -3.12966
    D4       -0.03124   0.00000   0.00131  -0.00017   0.00112  -0.03012
    D5       -0.03221   0.00000   0.00067  -0.00016   0.00050  -0.03171
    D6        3.10407  -0.00001   0.00150  -0.00094   0.00057   3.10464
    D7        3.10843   0.00001   0.00020   0.00042   0.00061   3.10904
    D8       -0.03848  -0.00000   0.00103  -0.00035   0.00068  -0.03780
    D9        2.50715  -0.00010  -0.00591  -0.00291  -0.00882   2.49833
   D10       -0.63489  -0.00010  -0.00549  -0.00313  -0.00863  -0.64351
   D11       -0.63346  -0.00011  -0.00543  -0.00351  -0.00894  -0.64240
   D12        2.50768  -0.00011  -0.00501  -0.00373  -0.00874   2.49894
   D13        0.03563  -0.00002  -0.00237   0.00098  -0.00137   0.03426
   D14       -3.02171   0.00004  -0.00447   0.00320  -0.00132  -3.02303
   D15       -3.06297  -0.00001  -0.00206   0.00003  -0.00201  -3.06497
   D16        0.16287   0.00004  -0.00415   0.00225  -0.00196   0.16092
   D17       -0.06068   0.00000   0.00182  -0.00071   0.00110  -0.05958
   D18        3.04177   0.00002   0.00022   0.00094   0.00112   3.04289
   D19        3.00067  -0.00004   0.00385  -0.00283   0.00107   3.00174
   D20       -0.18006  -0.00002   0.00225  -0.00117   0.00108  -0.17897
   D21       -2.91399  -0.00006   0.00046  -0.00179  -0.00137  -2.91536
   D22        0.35602  -0.00005  -0.00111  -0.00050  -0.00168   0.35434
   D23        0.31146  -0.00001  -0.00163   0.00039  -0.00135   0.31011
   D24       -2.70171   0.00000  -0.00320   0.00168  -0.00165  -2.70336
   D25        0.04023   0.00001  -0.00009   0.00003  -0.00007   0.04016
   D26       -3.11734   0.00002   0.00051   0.00036   0.00086  -3.11648
   D27       -3.06225  -0.00001   0.00149  -0.00160  -0.00008  -3.06234
   D28        0.06336   0.00001   0.00209  -0.00127   0.00085   0.06421
   D29       -0.36253  -0.00008  -0.00104  -0.00160  -0.00252  -0.36506
   D30        2.85341  -0.00006  -0.00069  -0.00295  -0.00351   2.84990
   D31        2.73980  -0.00006  -0.00261   0.00004  -0.00251   2.73729
   D32       -0.32744  -0.00005  -0.00226  -0.00131  -0.00350  -0.33094
   D33        0.00705  -0.00002  -0.00118   0.00041  -0.00075   0.00629
   D34       -3.12924   0.00000  -0.00201   0.00118  -0.00082  -3.13006
   D35       -3.11815  -0.00003  -0.00178   0.00006  -0.00171  -3.11987
   D36        0.02875  -0.00001  -0.00261   0.00083  -0.00178   0.02697
   D37        0.11764   0.00013  -0.00004   0.00313   0.00298   0.12062
   D38       -2.91883   0.00009  -0.00114   0.00249   0.00130  -2.91753
   D39        3.13308   0.00011   0.00154   0.00180   0.00327   3.13635
   D40        0.09661   0.00007   0.00044   0.00116   0.00159   0.09819
   D41        2.98877  -0.00008   0.00141  -0.00264  -0.00119   2.98758
   D42       -0.06966  -0.00004   0.00111  -0.00182  -0.00068  -0.07034
   D43       -0.02580  -0.00006  -0.00017  -0.00132  -0.00146  -0.02727
   D44       -3.08423  -0.00003  -0.00046  -0.00050  -0.00095  -3.08518
   D45       -0.63184  -0.00018   0.00089  -0.00457  -0.00387  -0.63571
   D46       -3.02755   0.00007  -0.00450   0.00237  -0.00172  -3.02927
   D47        1.18681  -0.00019  -0.00102  -0.00173  -0.00288   1.18393
   D48        2.40018  -0.00015   0.00206  -0.00397  -0.00215   2.39803
   D49        0.00447   0.00010  -0.00332   0.00297  -0.00000   0.00447
   D50       -2.06435  -0.00016   0.00016  -0.00112  -0.00116  -2.06551
   D51       -0.09442  -0.00003  -0.00036  -0.00013  -0.00048  -0.09491
   D52        3.01901  -0.00004  -0.00188   0.00056  -0.00134   3.01767
   D53       -3.12667  -0.00007  -0.00152  -0.00081  -0.00224  -3.12891
   D54       -0.01324  -0.00009  -0.00305  -0.00012  -0.00309  -0.01633
   D55        0.74836   0.00010  -0.00031   0.00364   0.00343   0.75179
   D56       -2.47161   0.00009  -0.00073   0.00505   0.00443  -2.46718
   D57       -3.12303  -0.00005   0.00520  -0.00293   0.00212  -3.12091
   D58       -0.05982  -0.00006   0.00478  -0.00152   0.00312  -0.05670
   D59       -1.18916   0.00005   0.00053   0.00129   0.00180  -1.18737
   D60        1.87405   0.00004   0.00011   0.00270   0.00280   1.87685
   D61        2.43759  -0.00026  -0.00047  -0.00685  -0.00758   2.43001
   D62       -1.10803  -0.00007   0.00825  -0.00379   0.00422  -1.10380
   D63        0.07203   0.00002  -0.00629   0.00111  -0.00498   0.06706
   D64        2.80960   0.00021   0.00243   0.00417   0.00683   2.81643
   D65        2.35264   0.00014   0.00154   0.00265   0.00418   2.35682
   D66        1.77034   0.00018   0.00264   0.00342   0.00618   1.77652
   D67       -1.92570  -0.00000   0.00231   0.00083   0.00306  -1.92265
   D68       -2.50800   0.00004   0.00340   0.00161   0.00506  -2.50294
   D69        3.08688   0.00005  -0.00066   0.00222   0.00146   3.08834
   D70        0.02613   0.00006  -0.00023   0.00075   0.00042   0.02656
   D71       -0.04937  -0.00000  -0.00020   0.00036   0.00015  -0.04922
   D72        3.13232   0.00002  -0.00010   0.00062   0.00051   3.13283
   D73        3.00947  -0.00003   0.00013  -0.00049  -0.00034   3.00913
   D74       -0.09203  -0.00001   0.00023  -0.00022   0.00002  -0.09201
   D75        0.05326   0.00004   0.00030   0.00071   0.00099   0.05425
   D76       -3.11024   0.00003  -0.00001   0.00058   0.00057  -3.10967
   D77       -3.12868   0.00002   0.00020   0.00045   0.00064  -3.12804
   D78       -0.00899   0.00001  -0.00011   0.00031   0.00021  -0.00878
   D79        2.50068  -0.00017  -0.00247  -0.00432  -0.00679   2.49389
   D80       -0.64250  -0.00017  -0.00234  -0.00418  -0.00652  -0.64902
   D81       -0.59928  -0.00015  -0.00238  -0.00404  -0.00642  -0.60569
   D82        2.54073  -0.00015  -0.00225  -0.00390  -0.00615   2.53458
   D83        0.01864  -0.00003  -0.00003  -0.00081  -0.00083   0.01781
   D84       -3.09536  -0.00001   0.00147  -0.00149   0.00001  -3.09535
   D85       -3.10123  -0.00001   0.00029  -0.00068  -0.00040  -3.10163
   D86        0.06795  -0.00000   0.00179  -0.00137   0.00044   0.06839
   D87       -0.05689   0.00002   0.00367  -0.00008   0.00363  -0.05326
   D88        3.13293   0.00004   0.00330   0.00020   0.00355   3.13648
   D89       -2.78811  -0.00019  -0.00554  -0.00271  -0.00832  -2.79643
   D90        0.40172  -0.00017  -0.00592  -0.00244  -0.00840   0.39332
   D91       -0.96852   0.00010   0.00124   0.00095   0.00207  -0.96645
   D92        2.22130   0.00012   0.00086   0.00122   0.00199   2.22329
   D93        0.19247  -0.00020  -0.01005  -0.00216  -0.01215   0.18032
   D94       -2.08078  -0.00009  -0.00978  -0.00060  -0.01027  -2.09105
   D95        2.36663  -0.00014  -0.00787  -0.00245  -0.01026   2.35637
   D96        2.93005  -0.00000  -0.00156   0.00082  -0.00072   2.92933
   D97        0.65680   0.00010  -0.00128   0.00237   0.00116   0.65796
   D98       -1.17898   0.00006   0.00063   0.00053   0.00118  -1.17780
   D99        0.82475  -0.00017  -0.00522  -0.00362  -0.00887   0.81588
   D100      -1.44850  -0.00007  -0.00494  -0.00206  -0.00699  -1.45549
   D101       2.99890  -0.00011  -0.00304  -0.00391  -0.00697   2.99193
   D102      -1.15604  -0.00011   0.00113  -0.00065   0.00045  -1.15559
   D103      -1.73522  -0.00011   0.00146  -0.00045   0.00099  -1.73423
   D104       0.97501   0.00002   0.00483   0.00187   0.00672   0.98172
   D105       0.39583   0.00003   0.00516   0.00206   0.00726   0.40308
   D106       0.02181  -0.00003   0.00088  -0.00087   0.00001   0.02182
   D107      -3.10648  -0.00001   0.00027  -0.00041  -0.00014  -3.10662
   D108       3.11783  -0.00003   0.00124  -0.00108   0.00013   3.11796
   D109      -0.01046  -0.00001   0.00064  -0.00063  -0.00001  -0.01048
   D110       3.10960  -0.00000  -0.00035   0.00048   0.00013   3.10973
   D111      -0.02854  -0.00001   0.00113  -0.00090   0.00023  -0.02831
   D112       0.01564   0.00001  -0.00073   0.00074   0.00003   0.01566
   D113      -3.12250   0.00001   0.00075  -0.00064   0.00012  -3.12238
   D114      -0.00621  -0.00001  -0.00252   0.00051  -0.00204  -0.00824
   D115       3.12253  -0.00003  -0.00193   0.00008  -0.00189   3.12064
   D116      -0.00226   0.00001  -0.00003   0.00016   0.00014  -0.00213
   D117       3.11351  -0.00001  -0.00025   0.00015  -0.00010   3.11342
   D118      -3.13130   0.00002  -0.00060   0.00058  -0.00000  -3.13130
   D119      -0.01552   0.00001  -0.00082   0.00057  -0.00024  -0.01576
   D120      -0.00840  -0.00001   0.00022  -0.00037  -0.00016  -0.00856
   D121       3.11178  -0.00001   0.00111  -0.00122  -0.00012   3.11166
   D122       3.12980  -0.00000  -0.00123   0.00098  -0.00024   3.12956
   D123      -0.03320  -0.00001  -0.00034   0.00013  -0.00021  -0.03341
   D124      -0.00443  -0.00000   0.00039  -0.00013   0.00026  -0.00417
   D125       3.14077   0.00001   0.00040   0.00013   0.00053   3.14130
   D126      -3.12434   0.00001  -0.00051   0.00074   0.00022  -3.12412
   D127       0.02086   0.00002  -0.00049   0.00099   0.00050   0.02135
   D128       0.00967   0.00000  -0.00048   0.00023  -0.00025   0.00943
   D129      -3.10480   0.00002  -0.00024   0.00023   0.00001  -3.10480
   D130      -3.13552  -0.00001  -0.00050  -0.00002  -0.00052  -3.13604
   D131       0.03319   0.00001  -0.00026  -0.00002  -0.00027   0.03292
   D132       0.60604   0.00008   0.00237   0.00181   0.00418   0.61022
   D133      -2.53604   0.00008   0.00173   0.00216   0.00388  -2.53216
   D134      -2.53178   0.00009   0.00239   0.00208   0.00447  -2.52731
   D135       0.60933   0.00009   0.00175   0.00242   0.00417   0.61350
   D136      -3.13238   0.00001   0.00047  -0.00032   0.00015  -3.13223
   D137      -0.03731  -0.00001   0.00061  -0.00026   0.00035  -0.03696
   D138       0.00965   0.00000   0.00007  -0.00011  -0.00004   0.00961
   D139       3.10472  -0.00001   0.00021  -0.00005   0.00016   3.10488
   D140      -3.13510  -0.00000   0.00023  -0.00019   0.00003  -3.13506
   D141      -0.03921  -0.00002   0.00063  -0.00039   0.00024  -0.03897
   D142       0.00606   0.00000   0.00063  -0.00041   0.00022   0.00628
   D143       3.10195  -0.00001   0.00103  -0.00060   0.00043   3.10238
   D144      -3.13450   0.00002   0.00043   0.00031   0.00074  -3.13376
   D145      -0.03937   0.00001   0.00166  -0.00067   0.00099  -0.03838
   D146       0.00864   0.00002   0.00030   0.00017   0.00047   0.00911
   D147       3.10376   0.00001   0.00154  -0.00081   0.00073   3.10449
   D148      -3.13290  -0.00001  -0.00023  -0.00018  -0.00041  -3.13331
   D149      -0.03915  -0.00002   0.00125  -0.00128  -0.00003  -0.03917
   D150       0.00716  -0.00000  -0.00010  -0.00004  -0.00014   0.00702
   D151       3.10091  -0.00001   0.00138  -0.00114   0.00024   3.10115
   D152       3.13364  -0.00001  -0.00085   0.00055  -0.00031   3.13333
   D153       0.03712   0.00000  -0.00116   0.00061  -0.00055   0.03657
   D154      -0.00748  -0.00000  -0.00023   0.00021  -0.00002  -0.00750
   D155      -3.10400   0.00000  -0.00054   0.00028  -0.00026  -3.10426
   D156       3.13592   0.00000   0.00031  -0.00002   0.00029   3.13621
   D157       0.03621   0.00001  -0.00047   0.00041  -0.00006   0.03615
   D158      -0.00615  -0.00000  -0.00031   0.00031   0.00000  -0.00614
   D159      -3.10586   0.00000  -0.00109   0.00075  -0.00034  -3.10620
   D160      -0.01614  -0.00001  -0.00031  -0.00004  -0.00035  -0.01648
   D161       3.10211  -0.00001   0.00017  -0.00029  -0.00012   3.10199
   D162      -3.11149  -0.00001  -0.00150   0.00090  -0.00060  -3.11208
   D163       0.00676  -0.00000  -0.00102   0.00065  -0.00037   0.00639
   D164       0.00772  -0.00000   0.00011  -0.00022  -0.00012   0.00760
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   D166      -3.11074  -0.00001  -0.00039   0.00004  -0.00035  -3.11108
   D167       0.03089  -0.00000  -0.00016  -0.00006  -0.00021   0.03067
   D168       0.00784   0.00001   0.00009   0.00035   0.00044   0.00828
   D169      -3.10939   0.00001  -0.00001  -0.00002  -0.00003  -3.10942
   D170      -3.13379   0.00001  -0.00013   0.00044   0.00031  -3.13348
   D171       0.03217   0.00000  -0.00024   0.00008  -0.00016   0.03201
   D172       0.94159  -0.00004   0.00178   0.00013   0.00191   0.94350
   D173      -2.19757  -0.00004   0.00173  -0.00009   0.00164  -2.19593
   D174      -2.19997  -0.00003   0.00201   0.00003   0.00205  -2.19792
   D175       0.94406  -0.00004   0.00196  -0.00018   0.00178   0.94583
   D176      -0.01544  -0.00001  -0.00009  -0.00022  -0.00031  -0.01575
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   D178       3.10158  -0.00000  -0.00000   0.00016   0.00016   3.10174
   D179       0.00770   0.00001  -0.00145   0.00123  -0.00022   0.00748
   D180      -0.01644  -0.00000  -0.00073   0.00057  -0.00016  -0.01660
   D181       3.10058   0.00001  -0.00018   0.00082   0.00064   3.10123
   D182      -3.11169   0.00001  -0.00086   0.00051  -0.00036  -3.11204
   D183       0.00533   0.00002  -0.00031   0.00076   0.00045   0.00579
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   D192      -2.20481   0.00001   0.00575   0.00029   0.00604  -2.19877
   D193       0.93855   0.00001   0.00600   0.00023   0.00623   0.94479
   D194       0.93736   0.00002   0.00565   0.00044   0.00609   0.94345
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   D198       3.10183   0.00000  -0.00024   0.00086   0.00062   3.10245
   D199       0.00574   0.00002  -0.00063   0.00105   0.00042   0.00616
   D200       0.01410   0.00000   0.00046  -0.00043   0.00003   0.01412
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   D202       3.11086  -0.00000   0.00075  -0.00049   0.00027   3.11112
   D203      -0.00661  -0.00000   0.00004  -0.00025  -0.00021  -0.00682
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   D206       3.11072  -0.00000   0.00058  -0.00013   0.00045   3.11117
   D207      -0.03116   0.00001   0.00078   0.00001   0.00079  -0.03037
   D208      -0.00646   0.00000  -0.00039   0.00039   0.00001  -0.00645
   D209       3.11132   0.00001   0.00069   0.00003   0.00072   3.11204
   D210       3.13542  -0.00001  -0.00059   0.00026  -0.00033   3.13509
   D211      -0.02999   0.00000   0.00049  -0.00011   0.00038  -0.02960
   D212       2.19512  -0.00002  -0.00470  -0.00089  -0.00559   2.18953
   D213      -0.94612  -0.00002  -0.00480  -0.00107  -0.00587  -0.95199
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   D216       0.01315   0.00000   0.00062  -0.00062   0.00000   0.01316
   D217       3.11301  -0.00000   0.00138  -0.00104   0.00035   3.11336
   D218      -3.10442  -0.00001  -0.00045  -0.00026  -0.00071  -3.10513
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   D221       0.03640  -0.00002  -0.00080  -0.00067  -0.00148   0.03493
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   D225       0.03332  -0.00002  -0.00114  -0.00087  -0.00201   0.03132
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   D229       0.03552  -0.00000  -0.00016  -0.00045  -0.00061   0.03491
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   D232       3.13893  -0.00000   0.00019  -0.00017   0.00002   3.13895
   D233       0.03098   0.00000   0.00037  -0.00070  -0.00033   0.03064
   D234      -0.00059  -0.00000   0.00014  -0.00035  -0.00021  -0.00080
   D235      -3.10854  -0.00000   0.00032  -0.00088  -0.00057  -3.10910
   D236      -3.14089   0.00000   0.00001   0.00004   0.00004  -3.14085
   D237      -0.03314   0.00001   0.00074   0.00053   0.00126  -0.03187
   D238       0.00040   0.00001   0.00009   0.00019   0.00028   0.00068
   D239       3.10816   0.00002   0.00083   0.00068   0.00150   3.10966
   D240      -3.14102   0.00000   0.00016  -0.00004   0.00013  -3.14089
   D241      -0.03346   0.00002   0.00114   0.00054   0.00168  -0.03178
   D242       0.00087  -0.00000   0.00008  -0.00019  -0.00011   0.00076
   D243       3.10843   0.00001   0.00105   0.00039   0.00144   3.10987
   D244       0.00174   0.00000   0.00024  -0.00018   0.00006   0.00180
   D245      -3.12845  -0.00001  -0.00109  -0.00001  -0.00111  -3.12956
   D246       3.11237   0.00000   0.00011   0.00037   0.00048   3.11284
   D247      -0.01782  -0.00001  -0.00122   0.00053  -0.00069  -0.01852
   D248       3.12095   0.00001   0.00050   0.00031   0.00081   3.12177
   D249      -0.01239  -0.00001   0.00020   0.00005   0.00025  -0.01214
   D250       0.01731   0.00001   0.00066  -0.00035   0.00030   0.01761
   D251      -3.11604  -0.00001   0.00035  -0.00061  -0.00027  -3.11630
   D252      -0.00206  -0.00000  -0.00015  -0.00004  -0.00019  -0.00225
   D253       3.12611   0.00001   0.00148  -0.00014   0.00134   3.12745
   D254       3.12584   0.00001   0.00144  -0.00023   0.00121   3.12705
   D255      -0.02917   0.00002   0.00307  -0.00034   0.00274  -0.02643
   D256       0.00518   0.00001   0.00109  -0.00038   0.00071   0.00588
   D257      -3.14117   0.00000   0.00027  -0.00008   0.00020  -3.14097
   D258      -3.12136  -0.00001  -0.00068  -0.00016  -0.00084  -3.12220
   D259       0.01549  -0.00001  -0.00149   0.00014  -0.00135   0.01414
   D260       0.00164   0.00001   0.00001   0.00024   0.00025   0.00189
   D261       3.11277   0.00000  -0.00016   0.00073   0.00056   3.11333
   D262      -3.12877  -0.00001  -0.00135   0.00033  -0.00103  -3.12980
   D263      -0.01765  -0.00001  -0.00152   0.00081  -0.00071  -0.01836
   D264      -3.12169  -0.00001  -0.00066  -0.00036  -0.00102  -3.12270
   D265       0.01546  -0.00002  -0.00144  -0.00007  -0.00151   0.01395
   D266       0.00514   0.00001   0.00114  -0.00047   0.00066   0.00581
   D267      -3.14090  -0.00000   0.00036  -0.00018   0.00017  -3.14073
   D268       3.12139   0.00000   0.00076   0.00001   0.00076   3.12216
   D269      -0.01269  -0.00001   0.00083  -0.00051   0.00032  -0.01237
   D270       0.01714   0.00000   0.00096  -0.00058   0.00038   0.01752
   D271      -3.11695  -0.00001   0.00104  -0.00110  -0.00006  -3.11701
   D272       0.00161   0.00000   0.00026  -0.00009   0.00017   0.00177
   D273      -3.12833  -0.00001  -0.00112  -0.00004  -0.00116  -3.12949
   D274       3.11110   0.00002   0.00092   0.00068   0.00160   3.11270
   D275      -0.01884   0.00000  -0.00046   0.00073   0.00027  -0.01857
   D276       3.12055   0.00001   0.00091   0.00030   0.00120   3.12175
   D277      -0.01258  -0.00000   0.00044   0.00006   0.00050  -0.01208
   D278       0.01829  -0.00001   0.00008  -0.00063  -0.00056   0.01773
   D279      -3.11484  -0.00002  -0.00039  -0.00087  -0.00126  -3.11609
   D280      -0.00203  -0.00000  -0.00015  -0.00007  -0.00022  -0.00225
   D281       3.12525   0.00002   0.00141   0.00010   0.00151   3.12675
   D282       3.12558   0.00001   0.00149  -0.00013   0.00136   3.12693
   D283      -0.03033   0.00003   0.00305   0.00004   0.00308  -0.02725
   D284       0.00549   0.00000   0.00070  -0.00037   0.00033   0.00582
   D285      -3.14091  -0.00000  -0.00003  -0.00005  -0.00008  -3.14099
   D286      -3.12072  -0.00001  -0.00111  -0.00030  -0.00141  -3.12212
   D287       0.01606  -0.00002  -0.00184   0.00002  -0.00182   0.01424
   D288       0.00173   0.00000  -0.00000   0.00020   0.00020   0.00192
   D289       3.11109   0.00002   0.00095   0.00081   0.00176   3.11285
   D290      -3.12794  -0.00001  -0.00131   0.00006  -0.00125  -3.12919
   D291      -0.01857   0.00001  -0.00035   0.00067   0.00031  -0.01826
   D292      -3.12033  -0.00002  -0.00115  -0.00047  -0.00162  -3.12195
   D293       0.01644  -0.00002  -0.00151  -0.00030  -0.00181   0.01463
   D294       0.00551   0.00000   0.00057  -0.00029   0.00028   0.00580
   D295      -3.14090  -0.00000   0.00021  -0.00011   0.00009  -3.14081
   D296       3.12009   0.00002   0.00126   0.00009   0.00135   3.12144
   D297      -0.01398   0.00000   0.00039   0.00016   0.00055  -0.01343
   D298       0.01800  -0.00001   0.00007  -0.00064  -0.00058   0.01742
   D299      -3.11608  -0.00002  -0.00080  -0.00058  -0.00138  -3.11745
   D300      -0.00148  -0.00001  -0.00022  -0.00011  -0.00033  -0.00181
   D301       3.12878   0.00001   0.00107  -0.00014   0.00093   3.12971
   D302      -3.11242  -0.00001  -0.00086  -0.00057  -0.00143  -3.11384
   D303       0.01784  -0.00000   0.00043  -0.00059  -0.00016   0.01768
   D304      -3.12130  -0.00001  -0.00089  -0.00003  -0.00092  -3.12221
   D305       0.01297   0.00001  -0.00018  -0.00007  -0.00025   0.01272
   D306      -0.01726   0.00000  -0.00009   0.00051   0.00043  -0.01683
   D307       3.11700   0.00002   0.00062   0.00048   0.00110   3.11810
   D308       0.00198   0.00000   0.00026   0.00000   0.00026   0.00224
   D309      -3.12594  -0.00001  -0.00150   0.00003  -0.00147  -3.12741
   D310      -3.12601  -0.00001  -0.00128   0.00003  -0.00125  -3.12726
   D311       0.02926  -0.00003  -0.00304   0.00006  -0.00298   0.02628
   D312      -0.00530  -0.00000  -0.00067   0.00032  -0.00034  -0.00564
   D313       3.14090   0.00000  -0.00002   0.00003   0.00002   3.14092
   D314       3.12133   0.00001   0.00103   0.00028   0.00132   3.12265
   D315      -0.01566   0.00002   0.00168  -0.00000   0.00168  -0.01397
   D316      -0.00177   0.00000  -0.00021   0.00011  -0.00010  -0.00187
   D317      -3.11253  -0.00001  -0.00107  -0.00042  -0.00149  -3.11402
   D318       3.12844   0.00001   0.00126   0.00009   0.00135   3.12979
   D319       0.01767   0.00000   0.00041  -0.00045  -0.00004   0.01763
   D320       3.12135   0.00001   0.00129   0.00019   0.00149   3.12284
   D321      -0.01560   0.00002   0.00182   0.00003   0.00184  -0.01376
   D322      -0.00520  -0.00001  -0.00065   0.00023  -0.00042  -0.00562
   D323       3.14103   0.00000  -0.00012   0.00006  -0.00006   3.14097
   D324      -3.12097  -0.00001  -0.00115  -0.00021  -0.00135  -3.12232
   D325       0.01335  -0.00000  -0.00047  -0.00033  -0.00079   0.01256
   D326      -0.01715   0.00000  -0.00008   0.00044   0.00036  -0.01679
   D327       3.11717   0.00001   0.00060   0.00032   0.00093   3.11809
   D328       0.00705  -0.00001  -0.00025  -0.00007  -0.00031   0.00674
   D329      -3.14024   0.00001   0.00027  -0.00003   0.00025  -3.13999
   D330      -3.13008   0.00000   0.00053  -0.00035   0.00018  -3.12990
   D331       0.00581   0.00001   0.00105  -0.00031   0.00074   0.00655
   D332      -0.00743   0.00000  -0.00032   0.00029  -0.00002  -0.00745
   D333       3.13130  -0.00000  -0.00024   0.00008  -0.00015   3.13115
   D334       3.13985  -0.00001  -0.00083   0.00025  -0.00058   3.13927
   D335      -0.00461  -0.00001  -0.00075   0.00004  -0.00071  -0.00532
   D336      -0.00466  -0.00000  -0.00004   0.00003  -0.00001  -0.00467
   D337       3.12945   0.00001  -0.00012   0.00055   0.00043   3.12988
   D338       3.13979   0.00000  -0.00012   0.00024   0.00012   3.13991
   D339      -0.00929   0.00001  -0.00019   0.00076   0.00056  -0.00873
   D340      -0.00468  -0.00000   0.00003   0.00004   0.00007  -0.00462
   D341       3.14030   0.00000  -0.00012   0.00021   0.00009   3.14040
   D342       3.12869   0.00001   0.00033   0.00030   0.00063   3.12932
   D343      -0.00951   0.00001   0.00019   0.00047   0.00066  -0.00885
   D344      -0.00754   0.00000  -0.00014   0.00010  -0.00004  -0.00758
   D345       3.14014  -0.00001  -0.00079   0.00022  -0.00057   3.13957
   D346       3.13064  -0.00000   0.00001  -0.00007  -0.00006   3.13058
   D347      -0.00486  -0.00001  -0.00065   0.00005  -0.00060  -0.00546
   D348       0.00716  -0.00000  -0.00043   0.00007  -0.00036   0.00680
   D349      -3.12967   0.00000   0.00038  -0.00023   0.00015  -3.12952
   D350      -3.14053   0.00000   0.00023  -0.00005   0.00018  -3.14036
   D351       0.00582   0.00001   0.00104  -0.00035   0.00069   0.00650
   D352       0.00726  -0.00001  -0.00052  -0.00009  -0.00060   0.00665
   D353      -3.14005   0.00000   0.00040  -0.00033   0.00008  -3.13997
   D354      -3.12950  -0.00001  -0.00016  -0.00026  -0.00042  -3.12992
   D355       0.00638   0.00000   0.00076  -0.00050   0.00026   0.00664
   D356      -0.00768   0.00001   0.00023   0.00010   0.00034  -0.00735
   D357       3.13096   0.00000   0.00036  -0.00012   0.00024   3.13120
   D358       3.13960  -0.00000  -0.00068   0.00034  -0.00034   3.13926
   D359      -0.00494  -0.00001  -0.00056   0.00012  -0.00044  -0.00538
   D360      -0.00494   0.00000  -0.00000   0.00026   0.00026  -0.00468
   D361       3.12917   0.00002   0.00086   0.00019   0.00105   3.13022
   D362       3.13959   0.00001  -0.00013   0.00048   0.00036   3.13995
   D363      -0.00949   0.00002   0.00073   0.00042   0.00115  -0.00834
   D364      -0.00497   0.00000   0.00006   0.00019   0.00025  -0.00471
   D365       3.14012   0.00001  -0.00004   0.00035   0.00031   3.14042
   D366       3.12819   0.00002   0.00052   0.00043   0.00095   3.12914
   D367      -0.00991   0.00002   0.00042   0.00059   0.00100  -0.00891
   D368      -0.00794   0.00001   0.00020   0.00015   0.00035  -0.00759
   D369       3.13985  -0.00000  -0.00068   0.00030  -0.00038   3.13947
   D370       3.13015   0.00000   0.00030  -0.00001   0.00029   3.13044
   D371      -0.00524  -0.00001  -0.00058   0.00014  -0.00044  -0.00568
   D372       0.00753  -0.00001  -0.00058  -0.00006  -0.00064   0.00689
   D373      -3.12924  -0.00000   0.00015  -0.00038  -0.00023  -3.12947
   D374      -3.14028   0.00000   0.00030  -0.00021   0.00010  -3.14018
   D375       0.00614   0.00001   0.00104  -0.00053   0.00051   0.00664
   D376      -0.00697   0.00001   0.00058  -0.00002   0.00056  -0.00641
   D377       3.14025  -0.00000  -0.00038   0.00032  -0.00006   3.14019
   D378       3.12997   0.00000   0.00005   0.00015   0.00021   3.13018
   D379      -0.00599  -0.00001  -0.00090   0.00048  -0.00042  -0.00641
   D380       0.00736  -0.00000  -0.00025   0.00001  -0.00024   0.00712
   D381      -3.13114   0.00000  -0.00035   0.00020  -0.00015  -3.13129
   D382      -3.13985   0.00001   0.00070  -0.00032   0.00038  -3.13947
   D383       0.00483   0.00001   0.00060  -0.00013   0.00047   0.00530
   D384       0.00470  -0.00000  -0.00001  -0.00022  -0.00023   0.00447
   D385      -3.12964  -0.00001  -0.00068  -0.00010  -0.00079  -3.13043
   D386      -3.13998  -0.00001   0.00010  -0.00041  -0.00031  -3.14029
   D387       0.00887  -0.00002  -0.00058  -0.00029  -0.00087   0.00799
   D388       0.00468  -0.00000  -0.00002  -0.00018  -0.00020   0.00448
   D389      -3.13983  -0.00001   0.00014  -0.00042  -0.00029  -3.14011
   D390      -3.12961  -0.00001  -0.00072  -0.00014  -0.00087  -3.13047
   D391       0.00907  -0.00002  -0.00057  -0.00039  -0.00095   0.00812
   D392       0.00744  -0.00001  -0.00023  -0.00007  -0.00030   0.00714
   D393      -3.13972   0.00001   0.00072  -0.00033   0.00039  -3.13934
   D394      -3.13123  -0.00000  -0.00039   0.00017  -0.00022  -3.13144
   D395       0.00480   0.00001   0.00056  -0.00009   0.00047   0.00527
   D396      -0.00699   0.00001   0.00057   0.00000   0.00057  -0.00642
   D397       3.12998   0.00000  -0.00008   0.00029   0.00021   3.13019
   D398       3.14018  -0.00000  -0.00038   0.00026  -0.00012   3.14006
   D399      -0.00603  -0.00001  -0.00103   0.00055  -0.00048  -0.00651
   D400       1.74808  -0.00030  -0.01331  -0.00429  -0.01757   1.73051
   D401      -0.52217  -0.00022  -0.01196  -0.00377  -0.01568  -0.53785
   D402      -2.74586  -0.00000  -0.01333  -0.00223  -0.01554  -2.76139
   D403      -3.08477  -0.00004   0.00092  -0.00123  -0.00033  -3.08510
   D404      -0.91182   0.00009   0.00065  -0.00055   0.00011  -0.91170
   D405       1.31411  -0.00009   0.00098  -0.00235  -0.00135   1.31275
   D406       2.59453   0.00011   0.00983   0.00527   0.01514   2.60967
   D407      -1.57796   0.00014   0.01134   0.00384   0.01525  -1.56271
   D408       0.46624   0.00010   0.01002   0.00531   0.01535   0.48159
   D409       2.99213   0.00003   0.00227   0.00109   0.00336   2.99549
   D410      -1.18134   0.00001   0.00226   0.00094   0.00320  -1.17814
   D411       0.87592   0.00003   0.00204   0.00119   0.00323   0.87915
   D412       3.10437   0.00000   0.00156  -0.00064   0.00096   3.10533
   D413      -1.09304   0.00001   0.00169  -0.00055   0.00118  -1.09186
   D414       1.01975  -0.00002   0.00177  -0.00132   0.00049   1.02023
   D415       1.04572  -0.00001   0.00028  -0.00006   0.00019   1.04591
   D416       3.13150  -0.00000   0.00041   0.00003   0.00041   3.13191
   D417      -1.03891  -0.00003   0.00050  -0.00074  -0.00027  -1.03918
   D418      -1.09175   0.00002   0.00048   0.00092   0.00139  -1.09036
   D419       0.99403   0.00003   0.00061   0.00101   0.00161   0.99563
   D420       3.10681   0.00000   0.00069   0.00024   0.00092   3.10773
   D421       1.26706   0.00014   0.00397   0.00319   0.00706   1.27413
   D422      -2.95385   0.00003   0.00348   0.00289   0.00636  -2.94749
   D423      -0.77840   0.00007   0.00455   0.00111   0.00567  -0.77273
   D424      -1.35488  -0.00014  -0.00468  -0.00243  -0.00701  -1.36189
   D425       2.84985  -0.00003  -0.00282  -0.00334  -0.00610   2.84375
   D426       0.67720  -0.00009  -0.00425  -0.00133  -0.00551   0.67169
   D427       1.04855  -0.00001  -0.00093   0.00001  -0.00092   1.04763
   D428       3.13840  -0.00001  -0.00107   0.00004  -0.00103   3.13737
   D429      -1.05646  -0.00001  -0.00098   0.00007  -0.00091  -1.05737
   D430      -1.02565  -0.00000  -0.00080  -0.00010  -0.00090  -1.02655
   D431       1.06420  -0.00001  -0.00094  -0.00007  -0.00101   1.06319
   D432      -3.13066  -0.00000  -0.00085  -0.00004  -0.00089  -3.13155
   D433       3.12876   0.00001  -0.00108   0.00042  -0.00066   3.12809
   D434      -1.06457   0.00000  -0.00121   0.00044  -0.00077  -1.06535
   D435       1.02374   0.00001  -0.00113   0.00047  -0.00065   1.02309
   D436      -1.24960  -0.00004  -0.00788  -0.00446  -0.01233  -1.26193
   D437      -1.17453  -0.00008  -0.00680  -0.00387  -0.01089  -1.18542
   D438       0.42854   0.00000  -0.00166  -0.00074  -0.00241   0.42613
   D439       1.19555  -0.00011  -0.00665  -0.00465  -0.01120   1.18435
   D440       0.98883  -0.00012  -0.00577  -0.00349  -0.00942   0.97941
   D441      -0.40994   0.00003   0.00181   0.00085   0.00269  -0.40725
         Item               Value     Threshold  Converged?
 Maximum Force            0.000668     0.000450     NO 
 RMS     Force            0.000062     0.000300     YES
 Maximum Displacement     0.060133     0.001800     NO 
 RMS     Displacement     0.012357     0.001200     NO 
 Predicted change in Energy=-6.005708D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.808504    2.887537    0.507325
      2          6           0       -2.050181    1.513774    0.635390
      3          6           0       -1.008463    0.578368    0.658474
      4          6           0        0.321146    1.043367    0.591379
      5          6           0        0.571708    2.412184    0.431602
      6          6           0       -0.474375    3.320855    0.386244
      7          6           0       -1.238884   -0.879354    0.645730
      8          6           0       -0.175439   -1.767746    0.945081
      9          6           0        1.126121   -1.198305    1.422427
     10          6           0        1.441433    0.101036    0.738154
     11          6           0       -2.453889   -1.406308    0.193650
     12          6           0       -2.649826   -2.779004   -0.005308
     13          6           0       -1.555225   -3.629854    0.207562
     14          6           0       -0.343227   -3.128897    0.662901
     15          7           0        2.222395   -2.092488    1.583148
     16          6           0        3.525080   -1.676079    1.174392
     17          6           0        3.680463   -0.411790    0.561050
     18          7           0        2.621101    0.456161    0.360961
     19          6           0        4.666046   -2.484273    1.298578
     20          6           0        5.904078   -2.042996    0.849750
     21          6           0        6.076947   -0.783879    0.245602
     22          6           0        4.939626    0.009975    0.109868
     23          6           0       -2.928694    3.859257    0.500631
     24          6           0       -3.954903   -3.300578   -0.474762
     25          6           0        7.404835   -0.326279   -0.228284
     26          6           0       -4.029718   -4.381240   -1.370196
     27          6           0       -5.254589   -4.865140   -1.818237
     28          6           0       -6.448559   -4.289897   -1.364460
     29          6           0       -6.391525   -3.218688   -0.463805
     30          6           0       -5.161569   -2.729120   -0.035807
     31          6           0       -2.800203    5.116305    1.116008
     32          6           0       -3.850507    6.028733    1.123297
     33          6           0       -5.061459    5.714760    0.493308
     34          6           0       -5.202317    4.470210   -0.133731
     35          6           0       -4.152939    3.556856   -0.119794
     36          6           0        8.332777   -1.228649   -0.775430
     37          6           0        9.576408   -0.801079   -1.230200
     38          6           0        9.935746    0.549049   -1.134110
     39          6           0        9.025466    1.460110   -0.583648
     40          6           0        7.778057    1.026103   -0.146238
     41          7           0       -6.131745    6.645430    0.489433
     42          7           0       -7.699580   -4.786325   -1.811460
     43          7           0       11.205996    0.988362   -1.588773
     44          6           0       -8.126404   -6.118830   -1.739340
     45          6           0       -9.430279   -6.214873   -2.288372
     46          6           0       -9.807077   -4.882681   -2.713044
     47          6           0       -8.718757   -4.028285   -2.402837
     48          6           0       -7.439187    6.393334    0.925292
     49          6           0       -8.214004    7.569576    0.761524
     50          6           0       -7.337159    8.575946    0.199961
     51          6           0       -6.062830    7.972999    0.047138
     52          6           0       11.435622    2.013003   -2.515881
     53          6           0       12.833240    2.153210   -2.710735
     54          6           0       13.476451    1.171733   -1.862264
     55          6           0       12.444286    0.471539   -1.187321
     56          6           0      -10.946569   -4.352487   -3.328874
     57          6           0      -10.984424   -2.994600   -3.630968
     58          6           0       -9.890925   -2.165099   -3.330297
     59          6           0       -8.745016   -2.666801   -2.716991
     60          6           0       -7.475747   -7.232014   -1.200317
     61          6           0       -8.143549   -8.454137   -1.237984
     62          6           0       -9.429504   -8.570145   -1.792129
     63          6           0      -10.078239   -7.455138   -2.314143
     64          6           0       -7.521943    9.907007   -0.191096
     65          6           0       -6.449068   10.610701   -0.729917
     66          6           0       -5.196930    9.993141   -0.888167
     67          6           0       -4.985518    8.669988   -0.506699
     68          6           0       -7.981397    5.231852    1.482150
     69          6           0       -9.323467    5.257383    1.855158
     70          6           0      -10.109718    6.409513    1.685717
     71          6           0       -9.560246    7.567724    1.144241
     72          6           0       14.812909    0.840153   -1.611630
     73          6           0       15.101534   -0.168456   -0.697274
     74          6           0       14.066827   -0.842194   -0.026562
     75          6           0       12.728303   -0.532632   -0.257679
     76          6           0       10.516556    2.797306   -3.218276
     77          6           0       11.019309    3.743560   -4.108591
     78          6           0       12.401466    3.905818   -4.303063
     79          6           0       13.311360    3.112287   -3.611039
     80          8           0        0.719798   -3.556672    3.358809
     81         15           0        2.065009   -3.373421    2.785152
     82          8           0        3.253297   -3.127934    3.831735
     83          8           0        2.635589   -4.599028    1.908453
     84          6           0        3.016642   -2.447096    5.106673
     85          6           0        3.998844   -3.005938    6.115920
     86          6           0        2.627060   -5.930844    2.501487
     87          6           0        3.009914   -6.921609    1.420701
     88          1           0       -3.072603    1.174937    0.758343
     89          1           0        1.601396    2.742779    0.358929
     90          1           0       -0.262563    4.376665    0.251118
     91          1           0       -3.249546   -0.725793   -0.085794
     92          1           0       -1.655521   -4.696460    0.036065
     93          1           0        0.484739   -3.814240    0.770982
     94          1           0        4.599567   -3.464791    1.742602
     95          1           0        6.763011   -2.691027    0.992614
     96          1           0        4.979009    0.979345   -0.374740
     97          1           0       -3.115609   -4.822296   -1.754912
     98          1           0       -5.293251   -5.676169   -2.537660
     99          1           0       -7.313521   -2.789470   -0.086298
    100          1           0       -5.136687   -1.917916    0.685088
    101          1           0       -1.879368    5.366513    1.633301
    102          1           0       -3.746319    6.979430    1.635313
    103          1           0       -6.127548    4.234104   -0.648585
    104          1           0       -4.271386    2.609021   -0.635498
    105          1           0        8.062615   -2.274333   -0.885275
    106          1           0       10.266625   -1.505814   -1.681761
    107          1           0        9.309422    2.502167   -0.481550
    108          1           0        7.096496    1.742368    0.301767
    109          1           0      -11.788168   -4.994928   -3.571585
    110          1           0      -11.863267   -2.571268   -4.107285
    111          1           0       -9.935578   -1.109764   -3.582667
    112          1           0       -7.901442   -2.021723   -2.498293
    113          1           0       -6.488125   -7.149277   -0.760609
    114          1           0       -7.657789   -9.333877   -0.826228
    115          1           0       -9.921311   -9.537815   -1.807449
    116          1           0      -11.076899   -7.543805   -2.732175
    117          1           0       -8.492416   10.382001   -0.079169
    118          1           0       -6.579521   11.644174   -1.035571
    119          1           0       -4.374312   10.555833   -1.319594
    120          1           0       -4.018812    8.198064   -0.642072
    121          1           0       -7.378928    4.342129    1.627007
    122          1           0       -9.767669    4.366440    2.289143
    123          1           0      -11.153088    6.395202    1.985168
    124          1           0      -10.165985    8.461363    1.024057
    125          1           0       15.613926    1.367570   -2.121707
    126          1           0       16.134234   -0.435515   -0.495444
    127          1           0       14.312584   -1.619902    0.690584
    128          1           0       11.936138   -1.050235    0.271659
    129          1           0        9.448301    2.671611   -3.081781
    130          1           0       10.324760    4.365991   -4.665030
    131          1           0       12.760047    4.654158   -5.003003
    132          1           0       14.379315    3.231369   -3.770009
    133          1           0        3.163219   -1.377460    4.939427
    134          1           0        1.978492   -2.611102    5.402733
    135          1           0        3.871254   -2.488975    7.072373
    136          1           0        3.831353   -4.074585    6.278065
    137          1           0        5.030174   -2.860653    5.782335
    138          1           0        3.342263   -5.943648    3.330732
    139          1           0        1.626789   -6.128568    2.897872
    140          1           0        4.005494   -6.703884    1.024526
    141          1           0        3.017112   -7.934267    1.835758
    142          1           0        2.294193   -6.891732    0.594800
    143         17           0        0.774297   -0.376998    3.342575
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0178662           0.0073835           0.0057992
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13520.0584187608 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.73D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000248    0.000029   -0.000365 Ang=   0.05 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.68053163     A.U. after   10 cycles
            NFock= 10  Conv=0.43D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000016920   -0.000101291    0.000000875
      2        6           0.000003354    0.000120561   -0.000054459
      3        6           0.000085790   -0.000036328    0.000015292
      4        6          -0.000081399    0.000004491    0.000120872
      5        6          -0.000025083   -0.000015022   -0.000033491
      6        6           0.000028118    0.000041485   -0.000017543
      7        6          -0.000087622    0.000004633    0.000062067
      8        6          -0.000107693   -0.000072349   -0.000302970
      9        6           0.000269413   -0.000123969    0.001039230
     10        6           0.000101200    0.000079456   -0.000249549
     11        6           0.000045509   -0.000027121   -0.000063309
     12        6           0.000220257    0.000155871    0.000089764
     13        6          -0.000138439   -0.000079589    0.000070367
     14        6           0.000043608    0.000104294   -0.000030147
     15        7           0.000097574    0.000537517    0.000346792
     16        6          -0.000116248   -0.000200827   -0.000153680
     17        6          -0.000230035    0.000018068    0.000028166
     18        7           0.000172786   -0.000141961    0.000005183
     19        6          -0.000016440   -0.000023706   -0.000020730
     20        6           0.000026362   -0.000004791    0.000037089
     21        6          -0.000110607   -0.000015283    0.000014084
     22        6           0.000092288   -0.000013859   -0.000034073
     23        6          -0.000038154    0.000012666   -0.000007824
     24        6          -0.000197320   -0.000157467   -0.000084063
     25        6           0.000067442    0.000057078   -0.000024235
     26        6           0.000012891    0.000133141   -0.000002133
     27        6          -0.000028086   -0.000036419    0.000030539
     28        6          -0.000090557   -0.000077641   -0.000035245
     29        6          -0.000005188    0.000015620   -0.000037008
     30        6           0.000078438   -0.000030130    0.000047449
     31        6           0.000010844   -0.000022450    0.000003283
     32        6          -0.000001493    0.000001009   -0.000007971
     33        6          -0.000056063    0.000017263   -0.000004089
     34        6          -0.000001127    0.000014477    0.000017753
     35        6           0.000040173   -0.000001511    0.000000942
     36        6          -0.000038222    0.000000197   -0.000013984
     37        6           0.000005575    0.000021210    0.000017681
     38        6           0.000065918    0.000050824   -0.000021288
     39        6           0.000002318   -0.000005393   -0.000012977
     40        6           0.000002665   -0.000045491    0.000022019
     41        7          -0.000086379    0.000032329    0.000021141
     42        7           0.000031319    0.000011681   -0.000008247
     43        7           0.000037522    0.000010711   -0.000013922
     44        6           0.000039619    0.000089539   -0.000038351
     45        6          -0.000002343    0.000011354   -0.000026192
     46        6          -0.000002519   -0.000020838    0.000031236
     47        6           0.000057114   -0.000015909    0.000088364
     48        6           0.000147530    0.000044047   -0.000039854
     49        6          -0.000008083    0.000040430   -0.000016244
     50        6          -0.000033561   -0.000024543    0.000007662
     51        6           0.000054830   -0.000125328    0.000020767
     52        6          -0.000024633   -0.000083504    0.000076988
     53        6           0.000025240   -0.000001917    0.000022392
     54        6          -0.000003008    0.000019596   -0.000025965
     55        6          -0.000111487   -0.000018357   -0.000024121
     56        6          -0.000019663    0.000018973   -0.000020400
     57        6          -0.000013541   -0.000042202   -0.000013284
     58        6           0.000039741    0.000032437    0.000030021
     59        6          -0.000030048    0.000001681   -0.000038893
     60        6          -0.000018194   -0.000032665    0.000004449
     61        6           0.000046014    0.000032693    0.000009077
     62        6          -0.000042490   -0.000004096   -0.000016068
     63        6           0.000000451   -0.000026291    0.000016817
     64        6           0.000008226    0.000028066   -0.000008012
     65        6          -0.000048209   -0.000003255    0.000012003
     66        6           0.000059640   -0.000028341    0.000007335
     67        6          -0.000025477    0.000051049   -0.000010008
     68        6          -0.000055367   -0.000015737    0.000018955
     69        6           0.000062770   -0.000026116   -0.000009983
     70        6          -0.000027674    0.000039829   -0.000011884
     71        6          -0.000015160   -0.000022227    0.000015874
     72        6           0.000018997   -0.000006650    0.000015448
     73        6           0.000016445    0.000036373   -0.000027262
     74        6          -0.000049283   -0.000034882    0.000008494
     75        6           0.000043811    0.000012773    0.000003833
     76        6           0.000014672    0.000039042   -0.000038140
     77        6          -0.000047778   -0.000034056    0.000026306
     78        6           0.000046482    0.000010104    0.000004648
     79        6          -0.000007588    0.000013585   -0.000021197
     80        8           0.000004237   -0.000029884   -0.000005527
     81       15           0.000061308    0.000136756   -0.000203415
     82        8           0.000004907   -0.000413735    0.000206270
     83        8          -0.000003069    0.000060770   -0.000017619
     84        6           0.000047802    0.000326839   -0.000008753
     85        6           0.000044611    0.000032774    0.000029416
     86        6           0.000044646   -0.000047402    0.000066716
     87        6           0.000003411    0.000026394   -0.000002084
     88        1          -0.000031641    0.000031191    0.000043567
     89        1           0.000005171    0.000020742    0.000009674
     90        1           0.000001021    0.000016538   -0.000014348
     91        1          -0.000013400   -0.000048961    0.000012071
     92        1           0.000023692   -0.000001722   -0.000044740
     93        1          -0.000005915   -0.000024235   -0.000021201
     94        1           0.000003799   -0.000047350    0.000027669
     95        1           0.000004690   -0.000010066    0.000006380
     96        1          -0.000006917    0.000015862   -0.000004616
     97        1           0.000019458   -0.000022146   -0.000021240
     98        1           0.000018579    0.000008397   -0.000001597
     99        1           0.000007735    0.000009080    0.000014354
    100        1          -0.000021970   -0.000002463    0.000023856
    101        1           0.000012627    0.000001149    0.000017395
    102        1           0.000015081    0.000003420   -0.000003883
    103        1           0.000009703   -0.000011564   -0.000002206
    104        1           0.000008661   -0.000008585   -0.000031056
    105        1           0.000005192   -0.000010376   -0.000014703
    106        1          -0.000003222   -0.000016992   -0.000002137
    107        1          -0.000014012    0.000001409    0.000006533
    108        1          -0.000005072    0.000016413    0.000016065
    109        1          -0.000002840   -0.000002535   -0.000000300
    110        1          -0.000004009    0.000004080   -0.000001028
    111        1          -0.000004865    0.000001610   -0.000009039
    112        1          -0.000012162    0.000006292    0.000012490
    113        1           0.000004273   -0.000006181   -0.000003943
    114        1          -0.000004037   -0.000008137    0.000006136
    115        1           0.000001412   -0.000005138   -0.000000530
    116        1          -0.000001359   -0.000002296   -0.000003632
    117        1          -0.000003806    0.000001878   -0.000000094
    118        1           0.000000307    0.000004309   -0.000004460
    119        1          -0.000003077    0.000005950   -0.000005835
    120        1           0.000001641    0.000005849    0.000002630
    121        1          -0.000004006   -0.000011562   -0.000004326
    122        1          -0.000005507   -0.000000886    0.000006736
    123        1          -0.000003412   -0.000001550    0.000004656
    124        1          -0.000005391    0.000000306   -0.000003457
    125        1           0.000003308    0.000000953   -0.000002161
    126        1           0.000004796   -0.000000374    0.000003212
    127        1           0.000004849    0.000001734    0.000005491
    128        1           0.000002160   -0.000008023    0.000003020
    129        1          -0.000009451    0.000006535   -0.000000251
    130        1           0.000000116    0.000002173   -0.000008073
    131        1          -0.000001167    0.000002654   -0.000005388
    132        1           0.000002836    0.000003339    0.000002443
    133        1           0.000079194   -0.000164766   -0.000285266
    134        1           0.000118874   -0.000137504   -0.000042680
    135        1           0.000002514   -0.000008916   -0.000010001
    136        1           0.000000274   -0.000013974   -0.000003777
    137        1          -0.000000806    0.000003367   -0.000003116
    138        1          -0.000001547    0.000009786   -0.000000592
    139        1          -0.000011677    0.000010845   -0.000017058
    140        1           0.000006710    0.000000463   -0.000005215
    141        1          -0.000004689    0.000003674    0.000004728
    142        1          -0.000002262   -0.000006212   -0.000009763
    143       17          -0.000552074    0.000123365   -0.000494859
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001039230 RMS     0.000092265

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000342335 RMS     0.000041065
 Search for a local minimum.
 Step number  21 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   18   19   20   21
 DE= -5.44D-05 DEPred=-6.01D-06 R= 9.05D+00
 TightC=F SS=  1.41D+00  RLast= 7.04D-02 DXNew= 2.0182D+00 2.1120D-01
 Trust test= 9.05D+00 RLast= 7.04D-02 DXMaxT set to 1.20D+00
 ITU=  1  1 -1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  0  1
 ITU=  0
     Eigenvalues ---    0.00154   0.00334   0.00420   0.00421   0.00809
     Eigenvalues ---    0.00880   0.01563   0.01627   0.01937   0.02220
     Eigenvalues ---    0.02562   0.02608   0.02613   0.02671   0.02704
     Eigenvalues ---    0.02708   0.02713   0.02715   0.02722   0.02726
     Eigenvalues ---    0.02728   0.02731   0.02734   0.02746   0.02754
     Eigenvalues ---    0.02769   0.02770   0.02773   0.02774   0.02775
     Eigenvalues ---    0.02780   0.02785   0.02786   0.02786   0.02789
     Eigenvalues ---    0.02791   0.02791   0.02791   0.02792   0.02792
     Eigenvalues ---    0.02793   0.02794   0.02796   0.02797   0.02801
     Eigenvalues ---    0.02802   0.02802   0.02803   0.02805   0.02807
     Eigenvalues ---    0.02807   0.02808   0.02808   0.02809   0.02810
     Eigenvalues ---    0.02811   0.02812   0.02817   0.02817   0.02818
     Eigenvalues ---    0.02818   0.02818   0.02819   0.02820   0.02823
     Eigenvalues ---    0.02829   0.02835   0.02841   0.02844   0.02845
     Eigenvalues ---    0.02845   0.02846   0.02847   0.02847   0.02851
     Eigenvalues ---    0.02856   0.02858   0.02865   0.02868   0.02868
     Eigenvalues ---    0.02869   0.02871   0.02872   0.02873   0.02876
     Eigenvalues ---    0.02876   0.02878   0.02878   0.02879   0.02879
     Eigenvalues ---    0.02884   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02886   0.02886   0.02886   0.02888
     Eigenvalues ---    0.02892   0.02893   0.02896   0.02897   0.02898
     Eigenvalues ---    0.02899   0.02899   0.02899   0.02902   0.02908
     Eigenvalues ---    0.02910   0.02912   0.02915   0.02941   0.02942
     Eigenvalues ---    0.02954   0.03024   0.03024   0.03025   0.03065
     Eigenvalues ---    0.03133   0.03133   0.03134   0.03144   0.03149
     Eigenvalues ---    0.03171   0.03218   0.03274   0.03439   0.03637
     Eigenvalues ---    0.04017   0.04684   0.04761   0.05375   0.05544
     Eigenvalues ---    0.05579   0.05612   0.05719   0.05727   0.05752
     Eigenvalues ---    0.07474   0.09090   0.09554   0.10485   0.11061
     Eigenvalues ---    0.11429   0.11762   0.12802   0.13661   0.15205
     Eigenvalues ---    0.15595   0.15763   0.15928   0.15951   0.15972
     Eigenvalues ---    0.15984   0.15986   0.15986   0.15987   0.15988
     Eigenvalues ---    0.15991   0.15994   0.15996   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15999   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16001   0.16001
     Eigenvalues ---    0.16007   0.16011   0.16027   0.16057   0.16110
     Eigenvalues ---    0.16155   0.16765   0.17251   0.18686   0.20023
     Eigenvalues ---    0.20917   0.21990   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22001   0.22003
     Eigenvalues ---    0.22039   0.22383   0.22429   0.22508   0.22601
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22603   0.22698
     Eigenvalues ---    0.22960   0.22968   0.22995   0.23180   0.23297
     Eigenvalues ---    0.23480   0.23533   0.23730   0.24000   0.24010
     Eigenvalues ---    0.24195   0.24476   0.24487   0.24488   0.24492
     Eigenvalues ---    0.24533   0.24534   0.24769   0.24905   0.24977
     Eigenvalues ---    0.24985   0.24985   0.24985   0.24986   0.24987
     Eigenvalues ---    0.24993   0.24997   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25003   0.25012   0.25019
     Eigenvalues ---    0.25069   0.25143   0.25477   0.26491   0.27933
     Eigenvalues ---    0.28471   0.29323   0.29787   0.29797   0.30469
     Eigenvalues ---    0.32016   0.32098   0.32128   0.32141   0.32147
     Eigenvalues ---    0.32157   0.32178   0.32220   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33295   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33460   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33633   0.33638
     Eigenvalues ---    0.33641   0.33643   0.33645   0.33663   0.33701
     Eigenvalues ---    0.33722   0.33739   0.33820   0.33830   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33897   0.33921   0.33941
     Eigenvalues ---    0.33947   0.33955   0.33959   0.34466   0.34522
     Eigenvalues ---    0.34809   0.34921   0.35052   0.38283   0.41597
     Eigenvalues ---    0.42498   0.43479   0.44429   0.44438   0.44441
     Eigenvalues ---    0.44495   0.45761   0.46796   0.48740   0.48964
     Eigenvalues ---    0.48974   0.49144   0.49298   0.49617   0.49797
     Eigenvalues ---    0.49807   0.49831   0.49853   0.49936   0.49972
     Eigenvalues ---    0.50051   0.50205   0.50403   0.50408   0.50611
     Eigenvalues ---    0.50613   0.50616   0.51007   0.51461   0.51957
     Eigenvalues ---    0.52155   0.52373   0.52612   0.52851   0.53841
     Eigenvalues ---    0.54096   0.54113   0.54199   0.54201   0.54206
     Eigenvalues ---    0.54342   0.54472   0.55067   0.55138   0.55292
     Eigenvalues ---    0.55334   0.55341   0.55361   0.55389   0.55416
     Eigenvalues ---    0.55451   0.55511   0.55576   0.55617   0.55698
     Eigenvalues ---    0.55704   0.55760   0.55775   0.55939   0.55948
     Eigenvalues ---    0.56031   0.56147   0.56153   0.56154   0.56244
     Eigenvalues ---    0.56272   0.56312   0.56405   0.56659   0.56662
     Eigenvalues ---    0.56664   0.56670   0.56672   0.56682   0.56832
     Eigenvalues ---    0.56902   0.56915   0.56976   0.57121   0.57174
     Eigenvalues ---    0.57178   0.57191   0.57195   0.57209   0.57631
     Eigenvalues ---    0.61777   0.62408   0.66045   0.66055   0.67649
     Eigenvalues ---    0.67657   0.67661   0.69022   0.70020   0.70084
     Eigenvalues ---    0.73230   0.76176   0.80040
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    21   20   19   18   17   16   15   14   13   12
 RFO step:  Lambda=-1.59075855D-04.
 DIIS inversion failure, remove point  10.
 RFO-DIIS uses    9 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    3.00000   -1.54023   -0.54194    0.22764   -1.18605
                  RFO-DIIS coefs:    1.08211    0.23483   -0.29533    0.01896    0.00000
 Iteration  1 RMS(Cart)=  0.03050910 RMS(Int)=  0.00015530
 Iteration  2 RMS(Cart)=  0.00032144 RMS(Int)=  0.00013267
 Iteration  3 RMS(Cart)=  0.00000006 RMS(Int)=  0.00013267
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64699  -0.00006  -0.00079   0.00025  -0.00056   2.64643
    R2        2.66064   0.00001   0.00013  -0.00023  -0.00014   2.66050
    R3        2.80235  -0.00001   0.00260  -0.00135   0.00126   2.80361
    R4        2.64608   0.00008   0.00009   0.00013   0.00024   2.64632
    R5        2.04865   0.00001   0.00039  -0.00020   0.00018   2.04884
    R6        2.66484   0.00003  -0.00157   0.00098  -0.00030   2.66454
    R7        2.78900   0.00009  -0.00075   0.00086   0.00029   2.78930
    R8        2.64694   0.00003   0.00046  -0.00029   0.00018   2.64713
    R9        2.78026   0.00004   0.00144  -0.00018   0.00131   2.78157
   R10        2.61987  -0.00003   0.00027  -0.00002   0.00023   2.62009
   R11        2.04827   0.00002  -0.00005   0.00013   0.00008   2.04834
   R12        2.05090   0.00002   0.00009   0.00004   0.00013   2.05103
   R13        2.67899   0.00004  -0.00069   0.00051  -0.00025   2.67875
   R14        2.64446   0.00003  -0.00027   0.00026  -0.00000   2.64446
   R15        2.83218   0.00020   0.00064   0.00315   0.00355   2.83573
   R16        2.64596  -0.00001   0.00020  -0.00044  -0.00026   2.64570
   R17        2.83833   0.00008   0.00075   0.00269   0.00297   2.84129
   R18        2.69060  -0.00015   0.00336   0.00296   0.00641   2.69701
   R19        4.00216  -0.00034  -0.03546  -0.00609  -0.04139   3.96077
   R20        2.43475   0.00001   0.00010  -0.00066  -0.00060   2.43414
   R21        2.64715  -0.00003  -0.00012  -0.00003  -0.00013   2.64702
   R22        2.04777  -0.00001   0.00022  -0.00011   0.00011   2.04788
   R23        2.65061  -0.00008   0.00040  -0.00047  -0.00006   2.65055
   R24        2.80015   0.00019   0.00064  -0.00037   0.00027   2.80042
   R25        2.62341   0.00004   0.00040   0.00002   0.00041   2.62382
   R26        2.05026   0.00002   0.00014  -0.00001   0.00013   2.05039
   R27        2.04135   0.00000  -0.00019   0.00023   0.00004   2.04138
   R28        2.69739  -0.00029  -0.00202   0.00005  -0.00192   2.69547
   R29        3.33277  -0.00011  -0.00363  -0.00192  -0.00556   3.32721
   R30        5.39002  -0.00003  -0.02146  -0.00063  -0.02200   5.36802
   R31        2.67165  -0.00007  -0.00021   0.00017   0.00028   2.67193
   R32        2.65263   0.00001   0.00148  -0.00060   0.00088   2.65351
   R33        2.61549  -0.00016  -0.00258   0.00140  -0.00093   2.61456
   R34        2.65030   0.00006   0.00057  -0.00037   0.00021   2.65051
   R35        2.62454  -0.00000  -0.00024   0.00026   0.00001   2.62455
   R36        2.03792   0.00005  -0.00042   0.00038  -0.00004   2.03788
   R37        2.65925   0.00004   0.00003  -0.00007  -0.00005   2.65920
   R38        2.05113   0.00001   0.00005   0.00003   0.00009   2.05122
   R39        2.63353  -0.00002  -0.00052   0.00026  -0.00027   2.63326
   R40        2.80117   0.00007   0.00104  -0.00071   0.00033   2.80150
   R41        2.04935   0.00002   0.00005   0.00013   0.00018   2.04953
   R42        2.65597  -0.00002  -0.00032   0.00002  -0.00030   2.65566
   R43        2.65582  -0.00003  -0.00042  -0.00005  -0.00047   2.65535
   R44        2.65588  -0.00005   0.00017  -0.00017  -0.00000   2.65588
   R45        2.65592  -0.00003   0.00037  -0.00042  -0.00005   2.65586
   R46        2.65553  -0.00001   0.00021  -0.00010   0.00011   2.65564
   R47        2.65570  -0.00002   0.00022  -0.00026  -0.00005   2.65565
   R48        2.62883   0.00003  -0.00020   0.00016  -0.00004   2.62879
   R49        2.05114   0.00003  -0.00005   0.00014   0.00010   2.05124
   R50        2.64722   0.00001   0.00009  -0.00000   0.00009   2.64731
   R51        2.05001  -0.00000   0.00041  -0.00032   0.00009   2.05010
   R52        2.64691   0.00002  -0.00015   0.00007  -0.00008   2.64683
   R53        2.68002  -0.00008   0.00056  -0.00018   0.00038   2.68040
   R54        2.62913   0.00002   0.00011  -0.00000   0.00011   2.62924
   R55        2.05000  -0.00000   0.00034  -0.00024   0.00009   2.05009
   R56        2.05134   0.00002  -0.00023   0.00032   0.00009   2.05144
   R57        2.62918   0.00001   0.00025   0.00000   0.00025   2.62943
   R58        2.05114   0.00002  -0.00004   0.00014   0.00009   2.05124
   R59        2.64688   0.00002  -0.00032   0.00017  -0.00015   2.64672
   R60        2.05002  -0.00000   0.00045  -0.00032   0.00013   2.05015
   R61        2.64691   0.00002  -0.00033   0.00005  -0.00028   2.64664
   R62        2.68027  -0.00001   0.00156  -0.00029   0.00127   2.68153
   R63        2.62910   0.00002   0.00045  -0.00008   0.00037   2.62947
   R64        2.05005  -0.00000   0.00038  -0.00026   0.00013   2.05017
   R65        2.05135   0.00002  -0.00001   0.00015   0.00013   2.05148
   R66        2.62954   0.00002  -0.00007   0.00009   0.00002   2.62956
   R67        2.05147   0.00001  -0.00006   0.00009   0.00003   2.05150
   R68        2.64643   0.00001  -0.00012   0.00000  -0.00012   2.64631
   R69        2.05012   0.00001   0.00038  -0.00023   0.00015   2.05027
   R70        2.64673   0.00002  -0.00035   0.00010  -0.00025   2.64649
   R71        2.68131  -0.00004   0.00131  -0.00026   0.00105   2.68236
   R72        2.62918   0.00001   0.00022  -0.00004   0.00018   2.62936
   R73        2.05010   0.00000   0.00044  -0.00030   0.00014   2.05024
   R74        2.05126   0.00002  -0.00016   0.00021   0.00005   2.05131
   R75        2.64759  -0.00008  -0.00081  -0.00002  -0.00082   2.64677
   R76        2.64751  -0.00006  -0.00079   0.00008  -0.00071   2.64680
   R77        2.64761  -0.00004   0.00011  -0.00015  -0.00003   2.64757
   R78        2.64769  -0.00003   0.00006  -0.00021  -0.00014   2.64755
   R79        2.64707  -0.00005  -0.00071   0.00005  -0.00066   2.64640
   R80        2.64672  -0.00006  -0.00051  -0.00012  -0.00064   2.64608
   R81        2.67965   0.00002  -0.00006   0.00014   0.00008   2.67973
   R82        2.64094   0.00002  -0.00018   0.00012  -0.00005   2.64089
   R83        2.73656  -0.00002  -0.00002  -0.00000  -0.00002   2.73653
   R84        2.64479   0.00002   0.00027  -0.00013   0.00014   2.64493
   R85        2.67959   0.00002  -0.00000   0.00008   0.00008   2.67967
   R86        2.64480   0.00003   0.00025  -0.00012   0.00013   2.64493
   R87        2.64090   0.00003  -0.00007   0.00004  -0.00003   2.64087
   R88        2.67962   0.00004   0.00023   0.00005   0.00028   2.67990
   R89        2.64097   0.00004  -0.00021   0.00013  -0.00008   2.64089
   R90        2.73651  -0.00003   0.00016  -0.00011   0.00005   2.73656
   R91        2.64483   0.00002   0.00035  -0.00017   0.00019   2.64502
   R92        2.67969   0.00003   0.00014   0.00012   0.00026   2.67995
   R93        2.64480   0.00002   0.00041  -0.00018   0.00022   2.64503
   R94        2.64098   0.00003  -0.00027   0.00018  -0.00008   2.64090
   R95        2.67979   0.00003   0.00011   0.00014   0.00024   2.68003
   R96        2.64100   0.00003  -0.00026   0.00019  -0.00007   2.64093
   R97        2.73646  -0.00003   0.00013  -0.00008   0.00005   2.73652
   R98        2.64492   0.00002   0.00037  -0.00018   0.00020   2.64512
   R99        2.67994   0.00003   0.00021   0.00002   0.00024   2.68018
   R100       2.64486   0.00002   0.00037  -0.00018   0.00019   2.64505
   R101       2.64106   0.00002  -0.00016   0.00005  -0.00011   2.64096
   R102       2.62974  -0.00002   0.00029  -0.00016   0.00012   2.62987
   R103       2.05271   0.00000  -0.00002   0.00002   0.00000   2.05271
   R104       2.65519   0.00003   0.00005   0.00002   0.00007   2.65527
   R105       2.05142   0.00000   0.00009  -0.00005   0.00004   2.05147
   R106       2.63273  -0.00001   0.00001  -0.00003  -0.00002   2.63271
   R107       2.05226   0.00000   0.00001   0.00000   0.00001   2.05227
   R108       2.04891   0.00000   0.00025  -0.00015   0.00010   2.04901
   R109       2.63274  -0.00001   0.00000  -0.00001  -0.00001   2.63273
   R110       2.04893  -0.00000   0.00038  -0.00030   0.00008   2.04901
   R111       2.65519   0.00003   0.00005   0.00001   0.00006   2.65525
   R112       2.05229   0.00000  -0.00000   0.00001   0.00001   2.05230
   R113       2.62977  -0.00002   0.00034  -0.00021   0.00013   2.62991
   R114       2.05146   0.00000   0.00010  -0.00005   0.00005   2.05151
   R115       2.05271   0.00000  -0.00001   0.00001  -0.00000   2.05271
   R116       2.62976  -0.00002   0.00030  -0.00020   0.00010   2.62986
   R117       2.05274   0.00000  -0.00000   0.00001   0.00001   2.05274
   R118       2.65523   0.00004   0.00019  -0.00004   0.00015   2.65538
   R119       2.05147   0.00000   0.00011  -0.00005   0.00005   2.05152
   R120       2.63273  -0.00002  -0.00001  -0.00004  -0.00005   2.63268
   R121       2.05229   0.00000   0.00001   0.00000   0.00001   2.05230
   R122       2.04890   0.00000   0.00040  -0.00027   0.00012   2.04902
   R123       2.63272  -0.00002   0.00001  -0.00006  -0.00005   2.63267
   R124       2.04890   0.00000   0.00032  -0.00017   0.00015   2.04905
   R125       2.65525   0.00004   0.00015  -0.00001   0.00014   2.65540
   R126       2.05228   0.00000   0.00002  -0.00000   0.00001   2.05229
   R127       2.62976  -0.00002   0.00032  -0.00019   0.00013   2.62988
   R128       2.05146   0.00000   0.00011  -0.00005   0.00005   2.05151
   R129       2.05273   0.00000  -0.00000   0.00001   0.00001   2.05274
   R130       2.62981  -0.00002   0.00032  -0.00018   0.00014   2.62995
   R131       2.05275   0.00000   0.00000   0.00000   0.00001   2.05276
   R132       2.65532   0.00004   0.00012   0.00001   0.00014   2.65545
   R133       2.05148   0.00001   0.00011  -0.00005   0.00006   2.05154
   R134       2.63269  -0.00002  -0.00001  -0.00004  -0.00005   2.63263
   R135       2.05235   0.00000   0.00001   0.00000   0.00001   2.05236
   R136       2.04897   0.00001   0.00029  -0.00013   0.00015   2.04912
   R137       2.63264  -0.00002   0.00000  -0.00005  -0.00005   2.63258
   R138       2.04894   0.00001   0.00034  -0.00022   0.00012   2.04906
   R139       2.65539   0.00004   0.00016  -0.00001   0.00014   2.65553
   R140       2.05228   0.00000   0.00000   0.00001   0.00001   2.05230
   R141       2.62971  -0.00001   0.00031  -0.00019   0.00012   2.62982
   R142       2.05147   0.00001   0.00010  -0.00005   0.00005   2.05153
   R143       2.05275   0.00000  -0.00000   0.00001   0.00001   2.05276
   R144       2.78519   0.00001   0.00016   0.00007   0.00023   2.78542
   R145       3.02806  -0.00014   0.00019   0.00157   0.00200   3.03006
   R146       3.04491  -0.00003  -0.00093   0.00009  -0.00084   3.04407
   R147       2.76767  -0.00018   0.00338  -0.00239   0.00076   2.76843
   R148       2.75505   0.00002   0.00027  -0.00029  -0.00001   2.75504
   R149       2.86317   0.00004  -0.00062   0.00055  -0.00007   2.86310
   R150       2.06454  -0.00009   0.00097  -0.00048   0.00042   2.06496
   R151       2.06344   0.00004   0.00073  -0.00046   0.00027   2.06371
   R152       2.06865  -0.00001   0.00008  -0.00011  -0.00003   2.06862
   R153       2.06694   0.00001  -0.00022   0.00015  -0.00007   2.06687
   R154       2.06666   0.00000   0.00007  -0.00007  -0.00000   2.06666
   R155       2.86360  -0.00000  -0.00019   0.00012  -0.00007   2.86353
   R156       2.06951  -0.00000   0.00001  -0.00005  -0.00004   2.06947
   R157       2.06729  -0.00000   0.00003  -0.00000   0.00003   2.06733
   R158       2.06624   0.00001   0.00006  -0.00002   0.00005   2.06628
   R159       2.06819  -0.00000   0.00002  -0.00003  -0.00000   2.06819
   R160       2.06600   0.00001   0.00012  -0.00004   0.00007   2.06607
   R161       5.74980   0.00010   0.02441   0.00595   0.02990   5.77971
   R162       6.17728   0.00017   0.02950   0.00828   0.03789   6.21517
    A1        2.06371   0.00003   0.00066   0.00029   0.00096   2.06467
    A2        2.10916  -0.00001  -0.00007  -0.00031  -0.00038   2.10878
    A3        2.11031  -0.00002  -0.00060   0.00002  -0.00058   2.10973
    A4        2.12741   0.00004  -0.00068   0.00019  -0.00041   2.12701
    A5        2.07102  -0.00006  -0.00001  -0.00047  -0.00051   2.07051
    A6        2.08399   0.00003   0.00072   0.00028   0.00096   2.08495
    A7        2.07189  -0.00008   0.00073  -0.00082  -0.00020   2.07169
    A8        2.14542   0.00006   0.00080   0.00045   0.00094   2.14637
    A9        2.06290   0.00002  -0.00152   0.00034  -0.00076   2.06214
   A10        2.09016   0.00003   0.00017   0.00043   0.00057   2.09073
   A11        2.09671   0.00002  -0.00068  -0.00022  -0.00070   2.09601
   A12        2.09565  -0.00005   0.00049  -0.00016   0.00016   2.09581
   A13        2.10513   0.00002  -0.00038   0.00005  -0.00027   2.10485
   A14        2.06650   0.00000   0.00017   0.00021   0.00036   2.06685
   A15        2.11146  -0.00003   0.00023  -0.00027  -0.00006   2.11140
   A16        2.10651  -0.00003  -0.00035  -0.00021  -0.00056   2.10595
   A17        2.08868   0.00002   0.00032  -0.00026   0.00006   2.08874
   A18        2.08798   0.00001   0.00003   0.00047   0.00050   2.08848
   A19        2.09441  -0.00002  -0.00069   0.00011  -0.00053   2.09388
   A20        2.10630   0.00008   0.00016   0.00034   0.00050   2.10680
   A21        2.07549  -0.00006   0.00064  -0.00060  -0.00003   2.07546
   A22        2.07215  -0.00002   0.00043  -0.00048  -0.00039   2.07175
   A23        2.06774   0.00002  -0.00083   0.00058  -0.00013   2.06761
   A24        2.13840   0.00001   0.00088  -0.00009   0.00096   2.13937
   A25        1.94540  -0.00003  -0.00766  -0.00110  -0.00744   1.93795
   A26        2.05557   0.00001  -0.00223  -0.00140  -0.00224   2.05333
   A27        1.86695  -0.00006   0.00526  -0.00030   0.00449   1.87144
   A28        2.01871  -0.00008  -0.00485  -0.00078  -0.00431   2.01440
   A29        1.68348  -0.00002   0.00593   0.00359   0.00908   1.69256
   A30        2.02604  -0.00003  -0.00228  -0.00002  -0.00228   2.02376
   A31        2.08454   0.00008  -0.00049   0.00056   0.00044   2.08498
   A32        2.17006  -0.00005   0.00273  -0.00048   0.00190   2.17196
   A33        2.13688   0.00002   0.00022  -0.00011   0.00013   2.13701
   A34        2.07640   0.00003   0.00016   0.00030   0.00045   2.07685
   A35        2.06697  -0.00006  -0.00045  -0.00013  -0.00059   2.06637
   A36        2.05299   0.00004  -0.00063   0.00053  -0.00009   2.05290
   A37        2.10961  -0.00002   0.00064  -0.00066  -0.00003   2.10959
   A38        2.11986  -0.00003  -0.00006   0.00018   0.00011   2.11997
   A39        2.10853  -0.00003  -0.00001  -0.00019  -0.00021   2.10831
   A40        2.09465   0.00003   0.00004   0.00014   0.00019   2.09483
   A41        2.07980   0.00001  -0.00005   0.00005   0.00001   2.07981
   A42        2.11942   0.00001   0.00032  -0.00013   0.00015   2.11957
   A43        2.09988   0.00003   0.00016   0.00017   0.00035   2.10023
   A44        2.06353  -0.00004  -0.00054   0.00001  -0.00051   2.06302
   A45        2.07962   0.00011   0.00158   0.00050   0.00163   2.08126
   A46        2.05371   0.00002   0.00271   0.00064   0.00366   2.05737
   A47        2.08116  -0.00010   0.00414  -0.00103   0.00297   2.08414
   A48        2.05390   0.00011   0.01111   0.00292   0.01404   2.06793
   A49        1.54190   0.00014   0.01237   0.00016   0.01242   1.55433
   A50        2.07764   0.00001   0.00091  -0.00042   0.00061   2.07825
   A51        2.15137  -0.00008   0.00164  -0.00086   0.00068   2.15206
   A52        2.05322   0.00007  -0.00255   0.00134  -0.00122   2.05199
   A53        2.14051  -0.00000  -0.00102   0.00053  -0.00020   2.14032
   A54        2.10270  -0.00004   0.00103  -0.00051   0.00042   2.10312
   A55        2.03991   0.00005   0.00001  -0.00002  -0.00023   2.03968
   A56        2.07788   0.00001  -0.00004   0.00059   0.00055   2.07843
   A57        2.10951  -0.00002   0.00163  -0.00095   0.00071   2.11022
   A58        2.10576   0.00000   0.00060   0.00013   0.00072   2.10647
   A59        2.06791   0.00002  -0.00224   0.00083  -0.00142   2.06649
   A60        2.13239  -0.00003   0.00020  -0.00010   0.00011   2.13250
   A61        2.06369   0.00000  -0.00064   0.00018  -0.00046   2.06323
   A62        2.08690   0.00002   0.00046  -0.00011   0.00035   2.08725
   A63        2.03896   0.00002  -0.00125   0.00073  -0.00050   2.03847
   A64        2.12177  -0.00001   0.00017   0.00003   0.00019   2.12196
   A65        2.12244  -0.00001   0.00108  -0.00076   0.00031   2.12275
   A66        2.12948  -0.00000   0.00095  -0.00052   0.00049   2.12997
   A67        2.03216  -0.00000  -0.00150   0.00078  -0.00075   2.03141
   A68        2.12124   0.00000   0.00053  -0.00025   0.00025   2.12150
   A69        2.11184  -0.00001  -0.00130   0.00049  -0.00081   2.11103
   A70        2.11649  -0.00001  -0.00036  -0.00023  -0.00059   2.11591
   A71        2.05485   0.00002   0.00165  -0.00026   0.00140   2.05625
   A72        2.11694  -0.00002  -0.00068   0.00049  -0.00019   2.11675
   A73        2.11077   0.00000   0.00041  -0.00061  -0.00020   2.11057
   A74        2.05548   0.00002   0.00027   0.00012   0.00039   2.05587
   A75        2.11506   0.00001  -0.00110   0.00054  -0.00056   2.11450
   A76        2.11334  -0.00000   0.00052  -0.00043   0.00009   2.11343
   A77        2.05478  -0.00000   0.00058  -0.00011   0.00047   2.05525
   A78        2.11711  -0.00000  -0.00019  -0.00006  -0.00024   2.11687
   A79        2.08684   0.00002  -0.00023   0.00018  -0.00005   2.08679
   A80        2.07833  -0.00002   0.00049  -0.00017   0.00032   2.07865
   A81        2.09820   0.00001  -0.00008   0.00007  -0.00001   2.09819
   A82        2.10021  -0.00003   0.00082  -0.00060   0.00022   2.10043
   A83        2.08455   0.00001  -0.00071   0.00050  -0.00021   2.08434
   A84        2.08017  -0.00003   0.00038  -0.00026   0.00012   2.08029
   A85        2.10134   0.00001  -0.00052   0.00040  -0.00012   2.10122
   A86        2.10167   0.00002   0.00014  -0.00014  -0.00000   2.10167
   A87        2.09777   0.00001  -0.00016   0.00017   0.00000   2.09777
   A88        2.08489   0.00001  -0.00050   0.00041  -0.00008   2.08481
   A89        2.10028  -0.00002   0.00069  -0.00060   0.00009   2.10037
   A90        2.11748  -0.00000  -0.00023  -0.00004  -0.00027   2.11721
   A91        2.08470   0.00002   0.00013  -0.00011   0.00002   2.08473
   A92        2.08005  -0.00002   0.00019   0.00008   0.00027   2.08031
   A93        2.11745  -0.00000  -0.00099   0.00016  -0.00083   2.11662
   A94        2.08564  -0.00000   0.00039  -0.00039  -0.00001   2.08564
   A95        2.07918   0.00000   0.00062   0.00025   0.00086   2.08004
   A96        2.09821   0.00001  -0.00038   0.00012  -0.00026   2.09795
   A97        2.09983  -0.00002   0.00120  -0.00059   0.00061   2.10044
   A98        2.08491   0.00001  -0.00078   0.00045  -0.00033   2.08458
   A99        2.07998  -0.00003   0.00113  -0.00037   0.00077   2.08075
   A100       2.10196   0.00001  -0.00112   0.00062  -0.00050   2.10147
   A101       2.10124   0.00001  -0.00002  -0.00025  -0.00027   2.10097
   A102       2.09784   0.00002  -0.00050   0.00022  -0.00028   2.09755
   A103       2.08473   0.00001  -0.00054   0.00034  -0.00020   2.08453
   A104       2.10037  -0.00002   0.00108  -0.00058   0.00051   2.10088
   A105       2.11789  -0.00001  -0.00093   0.00014  -0.00079   2.11709
   A106       2.08593   0.00001   0.00023  -0.00028  -0.00006   2.08587
   A107       2.07849   0.00001   0.00073   0.00015   0.00088   2.07936
   A108       2.11778   0.00000  -0.00027   0.00000  -0.00026   2.11751
   A109       2.08702   0.00001  -0.00002  -0.00005  -0.00007   2.08695
   A110       2.07753  -0.00001   0.00032   0.00003   0.00035   2.07788
   A111       2.09802   0.00001  -0.00036   0.00017  -0.00019   2.09784
   A112       2.10023  -0.00002   0.00099  -0.00055   0.00044   2.10067
   A113       2.08470   0.00001  -0.00060   0.00036  -0.00024   2.08446
   A114       2.07982  -0.00003   0.00076  -0.00032   0.00044   2.08025
   A115       2.10159   0.00001  -0.00027  -0.00002  -0.00029   2.10130
   A116       2.10178   0.00002  -0.00048   0.00034  -0.00015   2.10163
   A117       2.09828   0.00001  -0.00019   0.00010  -0.00008   2.09819
   A118       2.08482   0.00001  -0.00074   0.00048  -0.00026   2.08456
   A119       2.09985  -0.00002   0.00098  -0.00061   0.00037   2.10022
   A120       2.11758   0.00000  -0.00052   0.00015  -0.00037   2.11721
   A121       2.08557   0.00001   0.00027  -0.00018   0.00009   2.08566
   A122       2.07930  -0.00001   0.00031  -0.00000   0.00030   2.07960
   A123       2.19602  -0.00001   0.00020  -0.00030  -0.00010   2.19592
   A124       2.19632  -0.00000  -0.00073   0.00046  -0.00027   2.19605
   A125       1.89085   0.00001   0.00052  -0.00016   0.00036   1.89121
   A126       2.19620  -0.00000  -0.00030   0.00031   0.00001   2.19620
   A127       2.19606  -0.00000   0.00022  -0.00027  -0.00005   2.19602
   A128       1.89092   0.00000   0.00009  -0.00005   0.00004   1.89096
   A129       2.19607  -0.00000  -0.00064   0.00049  -0.00015   2.19592
   A130       2.19618  -0.00001   0.00027  -0.00042  -0.00014   2.19604
   A131       1.89094   0.00001   0.00036  -0.00007   0.00029   1.89123
   A132       1.90140   0.00001  -0.00008   0.00006  -0.00002   1.90138
   A133       2.25956   0.00002  -0.00065   0.00048  -0.00018   2.25938
   A134       2.12174  -0.00002   0.00075  -0.00054   0.00022   2.12196
   A135       1.86554  -0.00001   0.00003  -0.00005  -0.00002   1.86551
   A136       2.08617   0.00001  -0.00059   0.00036  -0.00023   2.08594
   A137       2.33142  -0.00000   0.00060  -0.00032   0.00027   2.33169
   A138       1.86549  -0.00001   0.00009  -0.00011  -0.00002   1.86547
   A139       2.33143  -0.00000   0.00043  -0.00019   0.00024   2.33167
   A140       2.08621   0.00001  -0.00049   0.00029  -0.00020   2.08601
   A141       1.90143   0.00000  -0.00013   0.00015   0.00002   1.90144
   A142       2.25963   0.00002  -0.00042   0.00024  -0.00019   2.25944
   A143       2.12165  -0.00003   0.00057  -0.00037   0.00020   2.12185
   A144       1.90152   0.00001  -0.00016   0.00016   0.00000   1.90152
   A145       2.25952   0.00002  -0.00091   0.00045  -0.00046   2.25906
   A146       2.12166  -0.00003   0.00116  -0.00062   0.00054   2.12220
   A147       1.86544  -0.00001  -0.00011  -0.00006  -0.00018   1.86527
   A148       2.08623   0.00001  -0.00099   0.00046  -0.00053   2.08570
   A149       2.33145   0.00000   0.00114  -0.00040   0.00073   2.33218
   A150       1.86549  -0.00002  -0.00018   0.00001  -0.00017   1.86532
   A151       2.33139   0.00001   0.00121  -0.00051   0.00070   2.33209
   A152       2.08624   0.00001  -0.00099   0.00049  -0.00050   2.08574
   A153       1.90147   0.00001  -0.00008   0.00006  -0.00002   1.90146
   A154       2.25960   0.00002  -0.00107   0.00067  -0.00040   2.25919
   A155       2.12162  -0.00003   0.00125  -0.00074   0.00051   2.12213
   A156       1.90163   0.00000   0.00003  -0.00002   0.00001   1.90164
   A157       2.25925   0.00003  -0.00109   0.00067  -0.00042   2.25883
   A158       2.12185  -0.00003   0.00113  -0.00065   0.00048   2.12233
   A159       1.86528  -0.00001  -0.00018   0.00003  -0.00015   1.86513
   A160       2.08611   0.00001  -0.00092   0.00045  -0.00047   2.08564
   A161       2.33173  -0.00000   0.00114  -0.00049   0.00064   2.33238
   A162       1.86525  -0.00001  -0.00007  -0.00009  -0.00016   1.86509
   A163       2.33179  -0.00000   0.00100  -0.00032   0.00067   2.33247
   A164       2.08608   0.00001  -0.00089   0.00040  -0.00049   2.08559
   A165       1.90168   0.00001  -0.00014   0.00015   0.00001   1.90168
   A166       2.25940   0.00002  -0.00076   0.00032  -0.00045   2.25896
   A167       2.12165  -0.00002   0.00100  -0.00048   0.00052   2.12217
   A168       2.07981   0.00000  -0.00010   0.00007  -0.00003   2.07978
   A169       2.10026  -0.00000   0.00064  -0.00033   0.00031   2.10057
   A170       2.10310  -0.00000  -0.00055   0.00026  -0.00029   2.10282
   A171       2.10416  -0.00000   0.00041  -0.00025   0.00016   2.10432
   A172       2.09185   0.00000  -0.00064   0.00036  -0.00028   2.09157
   A173       2.08716  -0.00000   0.00023  -0.00011   0.00013   2.08729
   A174       2.11967   0.00000  -0.00037   0.00021  -0.00015   2.11952
   A175       2.08514  -0.00001   0.00006  -0.00008  -0.00002   2.08512
   A176       2.07837   0.00001   0.00031  -0.00014   0.00017   2.07854
   A177       2.05471   0.00002  -0.00005   0.00007   0.00002   2.05473
   A178       2.11725   0.00000  -0.00036   0.00019  -0.00017   2.11708
   A179       2.11120  -0.00002   0.00042  -0.00026   0.00016   2.11136
   A180       2.05459   0.00001  -0.00011   0.00014   0.00002   2.05461
   A181       2.11732  -0.00000  -0.00039   0.00023  -0.00016   2.11717
   A182       2.11125  -0.00001   0.00051  -0.00037   0.00014   2.11139
   A183       2.11974   0.00000  -0.00041   0.00025  -0.00017   2.11958
   A184       2.07824   0.00001   0.00033  -0.00013   0.00019   2.07843
   A185       2.08520  -0.00001   0.00009  -0.00011  -0.00003   2.08517
   A186       2.10417  -0.00001   0.00048  -0.00031   0.00017   2.10434
   A187       2.08724   0.00000   0.00019  -0.00006   0.00013   2.08737
   A188       2.09176   0.00000  -0.00066   0.00037  -0.00029   2.09147
   A189       2.07979   0.00000  -0.00014   0.00011  -0.00003   2.07977
   A190       2.10025   0.00000   0.00064  -0.00031   0.00032   2.10058
   A191       2.10313  -0.00000  -0.00051   0.00020  -0.00030   2.10282
   A192       2.07981   0.00000  -0.00012   0.00012   0.00000   2.07981
   A193       2.10022  -0.00000   0.00076  -0.00037   0.00039   2.10061
   A194       2.10315  -0.00000  -0.00065   0.00025  -0.00039   2.10275
   A195       2.10412  -0.00000   0.00071  -0.00039   0.00032   2.10444
   A196       2.09182   0.00000  -0.00076   0.00041  -0.00035   2.09146
   A197       2.08724  -0.00000   0.00006  -0.00002   0.00004   2.08728
   A198       2.11978   0.00000  -0.00052   0.00028  -0.00025   2.11953
   A199       2.08521  -0.00001  -0.00008  -0.00005  -0.00012   2.08509
   A200       2.07820   0.00001   0.00060  -0.00023   0.00037   2.07857
   A201       2.05465   0.00002  -0.00031   0.00024  -0.00007   2.05458
   A202       2.11730  -0.00000  -0.00074   0.00033  -0.00041   2.11689
   A203       2.11122  -0.00001   0.00106  -0.00057   0.00049   2.11171
   A204       2.05465   0.00002  -0.00025   0.00017  -0.00008   2.05457
   A205       2.11723   0.00000  -0.00086   0.00038  -0.00048   2.11675
   A206       2.11128  -0.00002   0.00112  -0.00056   0.00056   2.11184
   A207       2.11974   0.00000  -0.00054   0.00028  -0.00026   2.11948
   A208       2.07827   0.00000   0.00065  -0.00027   0.00038   2.07865
   A209       2.08517  -0.00001  -0.00011  -0.00001  -0.00012   2.08505
   A210       2.10414  -0.00000   0.00069  -0.00036   0.00033   2.10448
   A211       2.08718  -0.00000   0.00008  -0.00003   0.00005   2.08722
   A212       2.09185   0.00000  -0.00076   0.00039  -0.00038   2.09148
   A213       2.07979   0.00000  -0.00007   0.00008   0.00001   2.07980
   A214       2.10023   0.00000   0.00075  -0.00036   0.00040   2.10062
   A215       2.10316  -0.00000  -0.00069   0.00028  -0.00041   2.10275
   A216       2.07992  -0.00000  -0.00007   0.00006  -0.00001   2.07991
   A217       2.10020   0.00000   0.00074  -0.00035   0.00039   2.10059
   A218       2.10306  -0.00000  -0.00067   0.00029  -0.00038   2.10267
   A219       2.10414  -0.00000   0.00065  -0.00034   0.00031   2.10445
   A220       2.09179   0.00000  -0.00075   0.00038  -0.00037   2.09142
   A221       2.08725   0.00000   0.00012  -0.00005   0.00007   2.08732
   A222       2.11972   0.00000  -0.00053   0.00028  -0.00025   2.11948
   A223       2.08508  -0.00001  -0.00005  -0.00003  -0.00008   2.08500
   A224       2.07838   0.00000   0.00058  -0.00025   0.00033   2.07871
   A225       2.05471   0.00001  -0.00015   0.00008  -0.00008   2.05464
   A226       2.11678  -0.00000  -0.00066   0.00027  -0.00039   2.11639
   A227       2.11167  -0.00001   0.00082  -0.00035   0.00047   2.11214
   A228       2.05448   0.00001  -0.00022   0.00017  -0.00006   2.05443
   A229       2.11717   0.00000  -0.00081   0.00039  -0.00042   2.11675
   A230       2.11151  -0.00002   0.00105  -0.00056   0.00048   2.11199
   A231       2.11981   0.00000  -0.00053   0.00029  -0.00025   2.11957
   A232       2.07822   0.00000   0.00059  -0.00024   0.00035   2.07857
   A233       2.08515  -0.00001  -0.00006  -0.00004  -0.00010   2.08505
   A234       2.10421  -0.00000   0.00066  -0.00035   0.00030   2.10452
   A235       2.08717  -0.00000   0.00012  -0.00005   0.00007   2.08724
   A236       2.09179   0.00000  -0.00077   0.00040  -0.00037   2.09142
   A237       2.07975   0.00000  -0.00010   0.00010  -0.00000   2.07975
   A238       2.10029  -0.00000   0.00074  -0.00036   0.00038   2.10067
   A239       2.10313  -0.00000  -0.00065   0.00027  -0.00038   2.10275
   A240       2.02309  -0.00001  -0.00228  -0.00094  -0.00358   2.01952
   A241       1.84180  -0.00004   0.00089   0.00149   0.00296   1.84477
   A242       1.72139   0.00005   0.00419  -0.00012   0.00418   1.72556
   A243       2.02826   0.00004  -0.00249   0.00077  -0.00172   2.02654
   A244       2.02685   0.00002   0.00240   0.00024   0.00269   2.02954
   A245       1.78166  -0.00007  -0.00180  -0.00154  -0.00366   1.77800
   A246       2.11760  -0.00006  -0.00330   0.00033  -0.00314   2.11446
   A247       2.06174  -0.00001   0.00147  -0.00040   0.00106   2.06280
   A248       1.87931  -0.00006  -0.00403   0.00222  -0.00142   1.87790
   A249       1.87569   0.00001   0.00396  -0.00241   0.00145   1.87715
   A250       1.89635  -0.00001   0.00250  -0.00279  -0.00074   1.89561
   A251       1.95640   0.00005   0.00096  -0.00076  -0.00019   1.95621
   A252       1.96095   0.00005   0.00005   0.00018   0.00032   1.96127
   A253       1.89243  -0.00004  -0.00313   0.00329   0.00059   1.89302
   A254       1.90949   0.00000   0.00223  -0.00071   0.00153   1.91102
   A255       1.93890  -0.00001  -0.00179   0.00057  -0.00122   1.93768
   A256       1.93816  -0.00001  -0.00043   0.00000  -0.00043   1.93773
   A257       1.89023   0.00000   0.00009   0.00007   0.00017   1.89039
   A258       1.88987   0.00000  -0.00027   0.00024  -0.00003   1.88984
   A259       1.89591   0.00000   0.00020  -0.00018   0.00001   1.89592
   A260       1.88144  -0.00002   0.00028  -0.00037  -0.00009   1.88135
   A261       1.89111   0.00001   0.00006   0.00004   0.00010   1.89121
   A262       1.89425  -0.00000   0.00011  -0.00033  -0.00022   1.89404
   A263       1.94702   0.00000  -0.00046   0.00036  -0.00010   1.94693
   A264       1.95117   0.00001   0.00008   0.00021   0.00029   1.95146
   A265       1.89722   0.00000  -0.00006   0.00007   0.00001   1.89723
   A266       1.93722   0.00001  -0.00042   0.00026  -0.00016   1.93706
   A267       1.91361  -0.00001   0.00026  -0.00036  -0.00009   1.91352
   A268       1.93427   0.00001   0.00063  -0.00015   0.00048   1.93475
   A269       1.89196   0.00000  -0.00014   0.00013  -0.00001   1.89195
   A270       1.89328  -0.00001  -0.00014   0.00004  -0.00010   1.89318
   A271       1.89239  -0.00000  -0.00022   0.00009  -0.00012   1.89227
   A272       1.87227   0.00013   0.00643   0.00130   0.00822   1.88050
   A273       1.64758   0.00004   0.00346  -0.00004   0.00348   1.65106
   A274       1.79044  -0.00025  -0.01680  -0.00234  -0.01892   1.77152
   A275       1.81848  -0.00021  -0.00268  -0.00059  -0.00337   1.81512
   A276       1.29466  -0.00020  -0.01867  -0.00256  -0.02090   1.27376
   A277       1.35991  -0.00016  -0.00724  -0.00170  -0.00874   1.35117
   A278       0.56476  -0.00003  -0.00309  -0.00018  -0.00323   0.56153
    D1        0.01109  -0.00000   0.00195  -0.00110   0.00082   0.01191
    D2        3.11063  -0.00001   0.00296  -0.00087   0.00204   3.11267
    D3       -3.12966  -0.00000   0.00202  -0.00128   0.00073  -3.12893
    D4       -0.03012  -0.00001   0.00303  -0.00105   0.00195  -0.02817
    D5       -0.03171  -0.00000   0.00143  -0.00050   0.00093  -0.03078
    D6        3.10464  -0.00001   0.00191  -0.00054   0.00138   3.10602
    D7        3.10904   0.00000   0.00135  -0.00032   0.00102   3.11006
    D8       -0.03780  -0.00001   0.00183  -0.00035   0.00147  -0.03632
    D9        2.49833  -0.00004  -0.01455   0.00084  -0.01372   2.48461
   D10       -0.64351  -0.00004  -0.01404   0.00061  -0.01345  -0.65696
   D11       -0.64240  -0.00004  -0.01447   0.00065  -0.01381  -0.65621
   D12        2.49894  -0.00004  -0.01397   0.00041  -0.01354   2.48540
   D13        0.03426   0.00000  -0.00429   0.00204  -0.00224   0.03203
   D14       -3.02303   0.00003  -0.00419   0.00241  -0.00189  -3.02492
   D15       -3.06497   0.00001  -0.00528   0.00183  -0.00343  -3.06840
   D16        0.16092   0.00004  -0.00518   0.00220  -0.00308   0.15783
   D17       -0.05958  -0.00000   0.00333  -0.00143   0.00191  -0.05766
   D18        3.04289   0.00001   0.00275   0.00011   0.00281   3.04570
   D19        3.00174  -0.00003   0.00334  -0.00177   0.00166   3.00340
   D20       -0.17897  -0.00001   0.00277  -0.00023   0.00256  -0.17641
   D21       -2.91536  -0.00005  -0.00055   0.00039  -0.00020  -2.91557
   D22        0.35434  -0.00002  -0.00141   0.00181   0.00032   0.35467
   D23        0.31011  -0.00002  -0.00056   0.00082   0.00012   0.31023
   D24       -2.70336   0.00001  -0.00141   0.00223   0.00065  -2.70272
   D25        0.04016   0.00001  -0.00011  -0.00009  -0.00023   0.03993
   D26       -3.11648   0.00000   0.00193  -0.00059   0.00133  -3.11515
   D27       -3.06234  -0.00001   0.00048  -0.00162  -0.00111  -3.06345
   D28        0.06421  -0.00001   0.00253  -0.00212   0.00045   0.06466
   D29       -0.36506  -0.00002  -0.01141  -0.00132  -0.01253  -0.37759
   D30        2.84990  -0.00000  -0.01158  -0.00221  -0.01358   2.83631
   D31        2.73729  -0.00000  -0.01199   0.00023  -0.01162   2.72567
   D32       -0.33094   0.00001  -0.01217  -0.00066  -0.01267  -0.34361
   D33        0.00629  -0.00000  -0.00233   0.00109  -0.00122   0.00507
   D34       -3.13006   0.00000  -0.00281   0.00112  -0.00167  -3.13173
   D35       -3.11987   0.00000  -0.00443   0.00159  -0.00282  -3.12269
   D36        0.02697   0.00001  -0.00491   0.00163  -0.00328   0.02369
   D37        0.12062   0.00007   0.00745   0.00022   0.00749   0.12812
   D38       -2.91753   0.00006   0.00257   0.00022   0.00271  -2.91483
   D39        3.13635   0.00005   0.00823  -0.00110   0.00702  -3.13982
   D40        0.09819   0.00004   0.00336  -0.00110   0.00223   0.10043
   D41        2.98758  -0.00005  -0.00222  -0.00021  -0.00235   2.98522
   D42       -0.07034  -0.00004  -0.00124  -0.00099  -0.00218  -0.07252
   D43       -0.02727  -0.00003  -0.00297   0.00114  -0.00180  -0.02906
   D44       -3.08518  -0.00002  -0.00199   0.00036  -0.00162  -3.08681
   D45       -0.63571  -0.00009  -0.01352  -0.00113  -0.01499  -0.65070
   D46       -3.02927   0.00007  -0.00068   0.00306   0.00314  -3.02613
   D47        1.18393  -0.00015  -0.00764   0.00241  -0.00548   1.17845
   D48        2.39803  -0.00008  -0.00854  -0.00109  -0.01007   2.38796
   D49        0.00447   0.00008   0.00430   0.00310   0.00806   0.01253
   D50       -2.06551  -0.00013  -0.00267   0.00245  -0.00056  -2.06607
   D51       -0.09491  -0.00002  -0.00106   0.00015  -0.00090  -0.09581
   D52        3.01767  -0.00002  -0.00355   0.00230  -0.00129   3.01638
   D53       -3.12891  -0.00003  -0.00610   0.00017  -0.00579  -3.13470
   D54       -0.01633  -0.00003  -0.00860   0.00232  -0.00618  -0.02252
   D55        0.75179   0.00006   0.01487   0.00183   0.01697   0.76876
   D56       -2.46718   0.00004   0.01487   0.00282   0.01800  -2.44918
   D57       -3.12091  -0.00005   0.00313  -0.00254   0.00028  -3.12063
   D58       -0.05670  -0.00007   0.00312  -0.00155   0.00130  -0.05539
   D59       -1.18737   0.00014   0.00903   0.00079   0.00986  -1.17751
   D60        1.87685   0.00012   0.00903   0.00178   0.01088   1.88773
   D61        2.43001  -0.00009  -0.02108  -0.00290  -0.02433   2.40568
   D62       -1.10380  -0.00003   0.00274  -0.00283  -0.00035  -1.10415
   D63        0.06706   0.00005  -0.00612   0.00161  -0.00417   0.06288
   D64        2.81643   0.00011   0.01769   0.00168   0.01981   2.83623
   D65        2.35682   0.00008   0.00972   0.00208   0.01199   2.36881
   D66        1.77652   0.00014   0.01502   0.00255   0.01784   1.79437
   D67       -1.92265   0.00003   0.00650   0.00220   0.00873  -1.91392
   D68       -2.50294   0.00009   0.01180   0.00268   0.01458  -2.48836
   D69        3.08834   0.00002   0.00204   0.00080   0.00280   3.09115
   D70        0.02656   0.00004   0.00216  -0.00020   0.00185   0.02841
   D71       -0.04922  -0.00000   0.00013  -0.00017  -0.00006  -0.04927
   D72        3.13283   0.00000   0.00134  -0.00139  -0.00007   3.13275
   D73        3.00913  -0.00001  -0.00083   0.00062  -0.00018   3.00895
   D74       -0.09201  -0.00000   0.00037  -0.00059  -0.00020  -0.09221
   D75        0.05425   0.00003   0.00226  -0.00079   0.00145   0.05570
   D76       -3.10967   0.00003   0.00175  -0.00105   0.00070  -3.10897
   D77       -3.12804   0.00002   0.00106   0.00041   0.00146  -3.12658
   D78       -0.00878   0.00002   0.00055   0.00015   0.00072  -0.00806
   D79        2.49389  -0.00011  -0.00748  -0.00093  -0.00841   2.48548
   D80       -0.64902  -0.00011  -0.00720  -0.00075  -0.00795  -0.65697
   D81       -0.60569  -0.00011  -0.00622  -0.00220  -0.00842  -0.61411
   D82        2.53458  -0.00011  -0.00594  -0.00202  -0.00796   2.52662
   D83        0.01781  -0.00001  -0.00179   0.00080  -0.00098   0.01684
   D84       -3.09535  -0.00002   0.00065  -0.00130  -0.00061  -3.09596
   D85       -3.10163  -0.00002  -0.00129   0.00106  -0.00024  -3.10188
   D86        0.06839  -0.00002   0.00115  -0.00105   0.00012   0.06851
   D87       -0.05326  -0.00000   0.00398  -0.00005   0.00402  -0.04924
   D88        3.13648  -0.00001   0.00357  -0.00137   0.00232   3.13880
   D89       -2.79643  -0.00010  -0.01979  -0.00050  -0.02047  -2.81690
   D90        0.39332  -0.00010  -0.02020  -0.00183  -0.02218   0.37114
   D91       -0.96645   0.00010   0.00774   0.00109   0.00871  -0.95774
   D92        2.22329   0.00009   0.00733  -0.00023   0.00701   2.23030
   D93        0.18032  -0.00002  -0.02186   0.00239  -0.01950   0.16081
   D94       -2.09105  -0.00003  -0.01750   0.00078  -0.01698  -2.10804
   D95        2.35637   0.00003  -0.01719   0.00211  -0.01517   2.34120
   D96        2.92933   0.00009   0.00136   0.00282   0.00420   2.93353
   D97        0.65796   0.00008   0.00572   0.00121   0.00673   0.66468
   D98       -1.17780   0.00015   0.00603   0.00253   0.00854  -1.16926
   D99        0.81588  -0.00010  -0.02089  -0.00043  -0.02152   0.79436
   D100      -1.45549  -0.00011  -0.01653  -0.00205  -0.01900  -1.47449
   D101       2.99193  -0.00004  -0.01622  -0.00072  -0.01718   2.97475
   D102      -1.15559   0.00003  -0.00225   0.00102  -0.00141  -1.15700
   D103      -1.73423   0.00004   0.00050   0.00098   0.00126  -1.73298
   D104       0.98172   0.00003   0.01347   0.00078   0.01427   0.99599
   D105       0.40308   0.00004   0.01622   0.00075   0.01694   0.42002
   D106       0.02182  -0.00003   0.00087  -0.00188  -0.00104   0.02078
   D107      -3.10662  -0.00001   0.00044  -0.00167  -0.00123  -3.10785
   D108       3.11796  -0.00003   0.00135  -0.00069   0.00061   3.11858
   D109      -0.01048  -0.00001   0.00093  -0.00048   0.00042  -0.01005
   D110       3.10973   0.00001  -0.00035   0.00152   0.00118   3.11091
   D111      -0.02831  -0.00000   0.00091   0.00018   0.00110  -0.02721
   D112       0.01566   0.00001  -0.00083   0.00026  -0.00055   0.01511
   D113      -3.12238  -0.00000   0.00044  -0.00108  -0.00063  -3.12301
   D114      -0.00824   0.00001  -0.00385   0.00199  -0.00189  -0.01014
   D115       3.12064  -0.00001  -0.00343   0.00178  -0.00170   3.11893
   D116      -0.00213   0.00001  -0.00004   0.00022   0.00020  -0.00192
   D117       3.11342   0.00000  -0.00062   0.00050  -0.00012   3.11329
   D118      -3.13130   0.00003  -0.00043   0.00042   0.00003  -3.13128
   D119      -0.01576   0.00002  -0.00102   0.00069  -0.00030  -0.01606
   D120      -0.00856   0.00000  -0.00017   0.00023   0.00006  -0.00850
   D121       3.11166  -0.00000   0.00083  -0.00092  -0.00010   3.11156
   D122       3.12956   0.00001  -0.00141   0.00154   0.00014   3.12970
   D123      -0.03341   0.00000  -0.00041   0.00039  -0.00002  -0.03343
   D124      -0.00417  -0.00001   0.00103  -0.00048   0.00055  -0.00362
   D125       3.14130  -0.00000   0.00173  -0.00096   0.00076  -3.14113
   D126      -3.12412   0.00000   0.00004   0.00069   0.00072  -3.12340
   D127       0.02135   0.00000   0.00073   0.00020   0.00093   0.02229
   D128       0.00943   0.00000  -0.00093   0.00025  -0.00068   0.00875
   D129      -3.10480   0.00001  -0.00028  -0.00005  -0.00032  -3.10512
   D130      -3.13604  -0.00000  -0.00163   0.00074  -0.00089  -3.13693
   D131       0.03292   0.00001  -0.00098   0.00043  -0.00053   0.03238
   D132       0.61022   0.00005   0.00300   0.00050   0.00350   0.61372
   D133      -2.53216   0.00005   0.00202   0.00097   0.00298  -2.52917
   D134      -2.52731   0.00005   0.00373  -0.00001   0.00372  -2.52359
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   D352       0.00665  -0.00000  -0.00140   0.00037  -0.00103   0.00562
   D353      -3.13997  -0.00000   0.00050  -0.00055  -0.00005  -3.14002
   D354      -3.12992  -0.00000  -0.00088   0.00022  -0.00066  -3.13058
   D355       0.00664  -0.00000   0.00102  -0.00070   0.00032   0.00696
   D356      -0.00735   0.00000   0.00084  -0.00036   0.00047  -0.00687
   D357       3.13120  -0.00000   0.00071  -0.00032   0.00038   3.13158
   D358       3.13926   0.00000  -0.00106   0.00055  -0.00050   3.13876
   D359      -0.00538  -0.00000  -0.00119   0.00059  -0.00060  -0.00598
   D360      -0.00468   0.00000   0.00037   0.00013   0.00050  -0.00418
   D361       3.13022   0.00000   0.00252  -0.00092   0.00159   3.13181
   D362       3.13995   0.00000   0.00050   0.00009   0.00060   3.14055
   D363      -0.00834   0.00000   0.00265  -0.00096   0.00168  -0.00665
   D364      -0.00471   0.00000   0.00049  -0.00001   0.00048  -0.00423
   D365       3.14042   0.00000   0.00051   0.00002   0.00053   3.14096
   D366       3.12914   0.00000   0.00213  -0.00067   0.00146   3.13060
   D367      -0.00891   0.00000   0.00215  -0.00064   0.00151  -0.00740
   D368      -0.00759   0.00000   0.00079  -0.00026   0.00053  -0.00706
   D369       3.13947   0.00000  -0.00115   0.00059  -0.00056   3.13891
   D370       3.13044  -0.00000   0.00077  -0.00028   0.00048   3.13093
   D371      -0.00568  -0.00000  -0.00117   0.00056  -0.00061  -0.00629
   D372       0.00689  -0.00000  -0.00156   0.00049  -0.00107   0.00582
   D373      -3.12947  -0.00000  -0.00027  -0.00024  -0.00051  -3.12998
   D374      -3.14018  -0.00000   0.00039  -0.00036   0.00003  -3.14015
   D375       0.00664  -0.00000   0.00168  -0.00109   0.00059   0.00723
   D376      -0.00641  -0.00000   0.00140  -0.00042   0.00098  -0.00544
   D377       3.14019   0.00000  -0.00040   0.00038  -0.00002   3.14017
   D378       3.13018   0.00000   0.00041   0.00008   0.00049   3.13066
   D379      -0.00641   0.00000  -0.00139   0.00088  -0.00051  -0.00692
   D380       0.00712  -0.00000  -0.00062   0.00021  -0.00041   0.00671
   D381      -3.13129   0.00000  -0.00055   0.00023  -0.00033  -3.13162
   D382      -3.13947  -0.00000   0.00117  -0.00059   0.00058  -3.13889
   D383       0.00530   0.00000   0.00124  -0.00057   0.00067   0.00597
   D384       0.00447   0.00000  -0.00040  -0.00004  -0.00044   0.00403
   D385      -3.13043  -0.00000  -0.00195   0.00067  -0.00128  -3.13171
   D386      -3.14029  -0.00000  -0.00047  -0.00006  -0.00053  -3.14082
   D387       0.00799  -0.00000  -0.00202   0.00065  -0.00137   0.00663
   D388       0.00448   0.00000  -0.00036  -0.00003  -0.00040   0.00408
   D389      -3.14011  -0.00000  -0.00042  -0.00006  -0.00048  -3.14059
   D390      -3.13047  -0.00000  -0.00215   0.00074  -0.00141  -3.13188
   D391       0.00812  -0.00000  -0.00220   0.00071  -0.00149   0.00663
   D392       0.00714  -0.00000  -0.00078   0.00032  -0.00046   0.00667
   D393      -3.13934  -0.00000   0.00118  -0.00063   0.00055  -3.13878
   D394      -3.13144   0.00000  -0.00073   0.00034  -0.00038  -3.13183
   D395       0.00527   0.00000   0.00123  -0.00060   0.00063   0.00590
   D396      -0.00642   0.00000   0.00145  -0.00046   0.00099  -0.00543
   D397       3.13019   0.00000   0.00039   0.00002   0.00042   3.13061
   D398       3.14006   0.00000  -0.00052   0.00048  -0.00003   3.14003
   D399      -0.00651   0.00000  -0.00157   0.00097  -0.00060  -0.00711
   D400       1.73051  -0.00013  -0.03624  -0.00192  -0.03853   1.69198
   D401      -0.53785  -0.00012  -0.03196  -0.00255  -0.03493  -0.57278
   D402      -2.76139  -0.00012  -0.03205  -0.00215  -0.03443  -2.79582
   D403      -3.08510  -0.00005  -0.00004  -0.00034  -0.00010  -3.08520
   D404      -0.91170  -0.00001   0.00132  -0.00146  -0.00016  -0.91186
   D405       1.31275  -0.00000  -0.00173  -0.00152  -0.00351   1.30925
   D406       2.60967   0.00009   0.03243   0.00446   0.03648   2.64616
   D407      -1.56271   0.00012   0.03354   0.00345   0.03629  -1.52643
   D408       0.48159   0.00007   0.03330   0.00456   0.03738   0.51897
   D409       2.99549   0.00002   0.00817   0.00033   0.00850   3.00400
   D410      -1.17814   0.00001   0.00782   0.00057   0.00839  -1.16975
   D411       0.87915   0.00002   0.00785   0.00049   0.00834   0.88749
   D412       3.10533   0.00001   0.00283   0.00020   0.00308   3.10840
   D413      -1.09186   0.00001   0.00327   0.00019   0.00351  -1.08836
   D414       1.02023   0.00001   0.00200   0.00035   0.00240   1.02264
   D415       1.04591   0.00001  -0.00002   0.00219   0.00230   1.04821
   D416       3.13191   0.00001   0.00042   0.00218   0.00272   3.13464
   D417      -1.03918   0.00001  -0.00084   0.00234   0.00162  -1.03756
   D418      -1.09036  -0.00001   0.00330  -0.00169   0.00143  -1.08894
   D419       0.99563  -0.00001   0.00373  -0.00170   0.00185   0.99749
   D420       3.10773  -0.00002   0.00247  -0.00154   0.00075   3.10848
   D421       1.27413   0.00009   0.00874   0.00159   0.00992   1.28404
   D422      -2.94749   0.00004   0.00684   0.00235   0.00899  -2.93850
   D423      -0.77273   0.00011   0.00530   0.00444   0.00970  -0.76303
   D424      -1.36189  -0.00011  -0.01076  -0.00161  -0.01210  -1.37398
   D425       2.84375  -0.00006  -0.00741  -0.00265  -0.01005   2.83371
   D426       0.67169  -0.00013  -0.00640  -0.00419  -0.01046   0.66124
   D427       1.04763   0.00000  -0.00219   0.00117  -0.00102   1.04661
   D428       3.13737   0.00000  -0.00245   0.00126  -0.00119   3.13618
   D429      -1.05737  -0.00000  -0.00216   0.00105  -0.00111  -1.05848
   D430      -1.02655   0.00001  -0.00217   0.00114  -0.00103  -1.02758
   D431       1.06319   0.00001  -0.00244   0.00124  -0.00120   1.06199
   D432      -3.13155   0.00000  -0.00214   0.00103  -0.00112  -3.13267
   D433       3.12809  -0.00001  -0.00183   0.00065  -0.00118   3.12692
   D434      -1.06535  -0.00001  -0.00209   0.00074  -0.00135  -1.06669
   D435       1.02309  -0.00001  -0.00179   0.00053  -0.00126   1.02183
   D436      -1.26193  -0.00004  -0.02276  -0.00570  -0.02837  -1.29030
   D437      -1.18542  -0.00005  -0.01872  -0.00404  -0.02296  -1.20839
   D438       0.42613  -0.00003  -0.00224  -0.00315  -0.00501   0.42112
   D439       1.18435  -0.00008  -0.02492  -0.00035  -0.02548   1.15887
   D440       0.97941  -0.00005  -0.02070   0.00105  -0.02003   0.95938
   D441      -0.40725   0.00007   0.00272   0.00317   0.00572  -0.40153
         Item               Value     Threshold  Converged?
 Maximum Force            0.000342     0.000450     YES
 RMS     Force            0.000041     0.000300     YES
 Maximum Displacement     0.154124     0.001800     NO 
 RMS     Displacement     0.030589     0.001200     NO 
 Predicted change in Energy=-6.509549D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.820227    2.893980    0.526221
      2          6           0       -2.058188    1.519691    0.652367
      3          6           0       -1.013049    0.588151    0.683463
      4          6           0        0.314958    1.058240    0.623876
      5          6           0        0.561922    2.428000    0.465744
      6          6           0       -0.487231    3.332990    0.414400
      7          6           0       -1.236566   -0.870808    0.671276
      8          6           0       -0.170499   -1.753118    0.978570
      9          6           0        1.123245   -1.175581    1.473036
     10          6           0        1.437917    0.118824    0.775787
     11          6           0       -2.445753   -1.404756    0.211868
     12          6           0       -2.632542   -2.778406    0.011175
     13          6           0       -1.534224   -3.622870    0.230035
     14          6           0       -0.328308   -3.114889    0.694319
     15          7           0        2.226046   -2.066392    1.637883
     16          6           0        3.524873   -1.652752    1.217739
     17          6           0        3.676317   -0.393336    0.593148
     18          7           0        2.615622    0.471874    0.391667
     19          6           0        4.668416   -2.458012    1.342535
     20          6           0        5.903533   -2.019117    0.883445
     21          6           0        6.071817   -0.765082    0.267611
     22          6           0        4.932756    0.026029    0.131902
     23          6           0       -2.944430    3.861990    0.511833
     24          6           0       -3.931969   -3.307344   -0.466097
     25          6           0        7.396564   -0.310215   -0.218099
     26          6           0       -3.994873   -4.381531   -1.370197
     27          6           0       -5.214347   -4.871640   -1.826076
     28          6           0       -6.414396   -4.309656   -1.371575
     29          6           0       -6.369043   -3.245361   -0.462167
     30          6           0       -5.144473   -2.749060   -0.026363
     31          6           0       -2.829602    5.112523    1.142626
     32          6           0       -3.883627    6.020884    1.142919
     33          6           0       -5.082931    5.708778    0.490308
     34          6           0       -5.209593    4.470679   -0.152017
     35          6           0       -4.157041    3.560819   -0.131067
     36          6           0        8.320029   -1.216298   -0.766830
     37          6           0        9.560413   -0.791714   -1.233151
     38          6           0        9.920479    0.558855   -1.147489
     39          6           0        9.014813    1.473503   -0.595697
     40          6           0        7.770418    1.042562   -0.146527
     41          7           0       -6.156963    6.636093    0.479282
     42          7           0       -7.660036   -4.812611   -1.826864
     43          7           0       11.187854    0.995269   -1.614533
     44          6           0       -8.078406   -6.148154   -1.762130
     45          6           0       -9.379180   -6.250461   -2.317467
     46          6           0       -9.762691   -4.919049   -2.738522
     47          6           0       -8.681482   -4.058803   -2.419554
     48          6           0       -7.466305    6.378879    0.904925
     49          6           0       -8.244288    7.552525    0.736310
     50          6           0       -7.366870    8.562326    0.181779
     51          6           0       -6.089225    7.963780    0.038352
     52          6           0       11.409899    2.004797   -2.559367
     53          6           0       12.806344    2.147300   -2.761752
     54          6           0       13.456449    1.183030   -1.898880
     55          6           0       12.429198    0.490222   -1.208725
     56          6           0      -10.903734   -4.393027   -3.355211
     57          6           0      -10.949312   -3.033845   -3.650645
     58          6           0       -9.862400   -2.198611   -3.341888
     59          6           0       -8.715496   -2.695958   -2.726920
     60          6           0       -7.422287   -7.259264   -1.225528
     61          6           0       -8.080980   -8.485994   -1.272487
     62          6           0       -9.363363   -8.608357   -1.833572
     63          6           0      -10.017693   -7.495452   -2.353270
     64          6           0       -7.551843    9.894026   -0.207438
     65          6           0       -6.476326   10.601847   -0.735625
     66          6           0       -5.220795    9.988592   -0.884142
     67          6           0       -5.008885    8.665254   -0.503692
     68          6           0       -8.008536    5.213662    1.453794
     69          6           0       -9.353877    5.232755    1.815115
     70          6           0      -10.143173    6.382240    1.641301
     71          6           0       -9.594052    7.543884    1.106693
     72          6           0       14.794837    0.858379   -1.648907
     73          6           0       15.089752   -0.135140   -0.720041
     74          6           0       14.059710   -0.801633   -0.034914
     75          6           0       12.719473   -0.499268   -0.265459
     76          6           0       10.484718    2.774991   -3.269230
     77          6           0       10.979899    3.709460   -4.176039
     78          6           0       12.360697    3.873850   -4.378753
     79          6           0       13.276792    3.094898   -3.678271
     80          8           0        0.727915   -3.535654    3.404567
     81         15           0        2.071684   -3.356673    2.825889
     82          8           0        3.265724   -3.128754    3.871519
     83          8           0        2.635453   -4.578408    1.940240
     84          6           0        3.042712   -2.418979    5.133533
     85          6           0        4.040204   -2.952406    6.141480
     86          6           0        2.625555   -5.914262    2.524085
     87          6           0        3.013802   -6.897144    1.438093
     88          1           0       -3.080750    1.177799    0.766219
     89          1           0        1.590787    2.762242    0.397646
     90          1           0       -0.278870    4.389932    0.282237
     91          1           0       -3.244047   -0.729189   -0.072252
     92          1           0       -1.626855   -4.689977    0.056924
     93          1           0        0.502767   -3.795694    0.807311
     94          1           0        4.607016   -3.434888    1.795179
     95          1           0        6.763781   -2.665166    1.027722
     96          1           0        4.967765    0.991565   -0.360838
     97          1           0       -3.075791   -4.812513   -1.754624
     98          1           0       -5.244412   -5.677321   -2.551960
     99          1           0       -7.295829   -2.826654   -0.084440
    100          1           0       -5.128269   -1.942995    0.700594
    101          1           0       -1.917429    5.360185    1.676334
    102          1           0       -3.791588    6.967117    1.665567
    103          1           0       -6.126379    4.236765   -0.682873
    104          1           0       -4.263203    2.617479   -0.657718
    105          1           0        8.048586   -2.262518   -0.868256
    106          1           0       10.247864   -1.499105   -1.684963
    107          1           0        9.299895    2.516197   -0.502864
    108          1           0        7.092048    1.761589    0.301961
    109          1           0      -11.740336   -5.039463   -3.604504
    110          1           0      -11.829637   -2.613931   -4.127304
    111          1           0       -9.913085   -1.142384   -3.589371
    112          1           0       -7.877053   -2.046515   -2.501261
    113          1           0       -6.437088   -7.171539   -0.781269
    114          1           0       -7.591066   -9.364308   -0.862596
    115          1           0       -9.847971   -9.579521   -1.856931
    116          1           0      -11.013682   -7.589588   -2.776445
    117          1           0       -8.524347   10.366525   -0.102792
    118          1           0       -6.607284   11.635762   -1.039663
    119          1           0       -4.396279   10.554955   -1.307075
    120          1           0       -4.039347    8.196456   -0.629876
    121          1           0       -7.403458    4.325903    1.600409
    122          1           0       -9.798483    4.339174    2.243240
    123          1           0      -11.189240    6.363052    1.931014
    124          1           0      -10.202977    8.434886    0.983023
    125          1           0       15.592722    1.379580   -2.170173
    126          1           0       16.124077   -0.396445   -0.518842
    127          1           0       14.310752   -1.567566    0.693000
    128          1           0       11.930355   -1.011508    0.273723
    129          1           0        9.417611    2.647780   -3.124880
    130          1           0       10.280801    4.320744   -4.739112
    131          1           0       12.713663    4.613090   -5.091151
    132          1           0       14.343506    3.216287   -3.843719
    133          1           0        3.183408   -1.352555    4.941171
    134          1           0        2.008932   -2.580541    5.446279
    135          1           0        3.923129   -2.417639    7.089433
    136          1           0        3.879452   -4.018389    6.326158
    137          1           0        5.066370   -2.809368    5.791411
    138          1           0        3.337316   -5.932305    3.356161
    139          1           0        1.623749   -6.115241    2.914968
    140          1           0        4.010462   -6.675065    1.047016
    141          1           0        3.021294   -7.912487    1.846529
    142          1           0        2.301158   -6.863299    0.609637
    143         17           0        0.754907   -0.360674    3.368623
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0178083           0.0073925           0.0058122
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13521.1827288486 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.74D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    0.999998    0.001164    0.000081   -0.001330 Ang=   0.20 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.68060499     A.U. after   12 cycles
            NFock= 12  Conv=0.29D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000301476    0.000288179   -0.000022506
      2        6           0.000074120   -0.000108864   -0.000118321
      3        6          -0.000109000    0.000022753    0.000080726
      4        6           0.000220279    0.000149105    0.000120602
      5        6          -0.000005671   -0.000140650   -0.000150843
      6        6           0.000020817   -0.000017752    0.000087126
      7        6          -0.000050371   -0.000068054    0.000011140
      8        6          -0.000374810   -0.000665921   -0.000103783
      9        6           0.000742080   -0.000038662    0.000892016
     10        6           0.000132043    0.000689555   -0.000340057
     11        6          -0.000050828    0.000044013   -0.000135775
     12        6           0.000357005    0.000027649    0.000115233
     13        6          -0.000273750   -0.000020195    0.000013843
     14        6           0.000130251    0.000263371   -0.000000137
     15        7          -0.000235577   -0.000035459   -0.000126863
     16        6           0.000613430    0.000236521   -0.000280196
     17        6           0.000594513   -0.000271240    0.000249501
     18        7          -0.000804328   -0.000017901   -0.000010871
     19        6          -0.000282320   -0.000108440   -0.000004118
     20        6           0.000066694    0.000174871   -0.000036699
     21        6           0.000094123   -0.000149220    0.000083298
     22        6          -0.000247872    0.000030858   -0.000025014
     23        6           0.000454693   -0.000190417    0.000036889
     24        6          -0.000165040   -0.000114797   -0.000094899
     25        6          -0.000026623   -0.000056781   -0.000025992
     26        6           0.000049444    0.000129334    0.000085840
     27        6          -0.000121854   -0.000107297    0.000015745
     28        6          -0.000051288   -0.000095726   -0.000061446
     29        6          -0.000057179    0.000023046   -0.000047229
     30        6           0.000093519   -0.000008734   -0.000000108
     31        6          -0.000121144    0.000064370   -0.000055052
     32        6           0.000043376    0.000062893   -0.000070112
     33        6          -0.000266892    0.000129970    0.000025773
     34        6           0.000006000   -0.000088223    0.000056635
     35        6          -0.000140411    0.000012196    0.000026892
     36        6          -0.000043380    0.000025413    0.000028479
     37        6           0.000078833    0.000042688    0.000074107
     38        6           0.000202049    0.000107349   -0.000084230
     39        6          -0.000037435    0.000048864   -0.000076910
     40        6           0.000036470   -0.000042200   -0.000004248
     41        7           0.000259133   -0.000104340   -0.000014081
     42        7           0.000045723    0.000002520    0.000026663
     43        7          -0.000178335   -0.000125727    0.000085170
     44        6           0.000037691    0.000146942   -0.000065899
     45        6           0.000098488   -0.000048671   -0.000201368
     46        6          -0.000143413    0.000001143    0.000194572
     47        6           0.000066316   -0.000033794    0.000104291
     48        6           0.000004704   -0.000013382   -0.000175753
     49        6          -0.000055548   -0.000091882   -0.000174652
     50        6           0.000026513    0.000102168    0.000166080
     51        6           0.000010476    0.000005919    0.000183140
     52        6          -0.000006049    0.000066454    0.000146725
     53        6          -0.000049339    0.000155851    0.000125964
     54        6           0.000076156   -0.000147956   -0.000142784
     55        6          -0.000025204   -0.000092860   -0.000154919
     56        6           0.000054101    0.000085206   -0.000120867
     57        6          -0.000036566   -0.000086527    0.000023152
     58        6           0.000037433   -0.000010002   -0.000009542
     59        6          -0.000018764    0.000033181   -0.000015079
     60        6           0.000029362   -0.000031446   -0.000002564
     61        6          -0.000009862    0.000034583    0.000016855
     62        6          -0.000069022    0.000007461   -0.000073450
     63        6           0.000009329   -0.000028925    0.000153867
     64        6           0.000044422   -0.000021371   -0.000110073
     65        6          -0.000067292    0.000002091    0.000040451
     66        6          -0.000017026   -0.000042617   -0.000019188
     67        6           0.000001066    0.000042102   -0.000015509
     68        6          -0.000025799   -0.000030395    0.000028197
     69        6           0.000026518    0.000036835    0.000013924
     70        6          -0.000049215    0.000056270   -0.000051473
     71        6           0.000036137   -0.000023252    0.000131367
     72        6          -0.000028580    0.000022188    0.000130415
     73        6           0.000030349    0.000046048   -0.000072790
     74        6          -0.000028127    0.000038895    0.000005548
     75        6           0.000020414   -0.000008323    0.000035521
     76        6          -0.000015515    0.000025085   -0.000027245
     77        6           0.000024644   -0.000037909    0.000003588
     78        6           0.000071526    0.000036551    0.000036020
     79        6          -0.000038110   -0.000076903   -0.000101254
     80        8           0.000024792   -0.000035588   -0.000068843
     81       15          -0.000112178    0.000196749    0.000338705
     82        8          -0.000320528   -0.000027655    0.000279215
     83        8           0.000005932    0.000083977   -0.000129015
     84        6           0.000176574    0.000148534   -0.000345390
     85        6           0.000042533   -0.000009171    0.000027303
     86        6           0.000050877   -0.000053566    0.000105701
     87        6           0.000019901    0.000005868   -0.000035520
     88        1           0.000019739    0.000005033    0.000085903
     89        1           0.000020028   -0.000007994    0.000078375
     90        1          -0.000015277   -0.000018550   -0.000047626
     91        1          -0.000002160   -0.000006003    0.000025894
     92        1          -0.000010004    0.000018756   -0.000051618
     93        1          -0.000024384    0.000000817    0.000051918
     94        1          -0.000056056   -0.000036063    0.000041978
     95        1           0.000004670    0.000022399   -0.000034982
     96        1           0.000051880   -0.000005542    0.000013621
     97        1           0.000001701    0.000007720   -0.000023074
     98        1           0.000024308    0.000018253    0.000018622
     99        1           0.000027248    0.000011012    0.000000920
    100        1          -0.000002172   -0.000012696    0.000008670
    101        1          -0.000001720   -0.000004600   -0.000004661
    102        1           0.000030635   -0.000019441   -0.000005021
    103        1           0.000037460    0.000004262   -0.000005130
    104        1          -0.000003082    0.000017521   -0.000006307
    105        1          -0.000001529    0.000002592   -0.000010235
    106        1          -0.000037327   -0.000012589   -0.000001927
    107        1          -0.000017756   -0.000024742    0.000013012
    108        1           0.000002455    0.000001443    0.000007419
    109        1           0.000006277   -0.000021432    0.000036268
    110        1           0.000025140    0.000022398   -0.000020629
    111        1          -0.000005647   -0.000001267    0.000013030
    112        1          -0.000026859   -0.000010073   -0.000000279
    113        1          -0.000014857   -0.000012676   -0.000002082
    114        1           0.000007131    0.000002778   -0.000009711
    115        1           0.000010646    0.000004996    0.000034619
    116        1           0.000001904    0.000028746   -0.000030017
    117        1          -0.000004339   -0.000028707    0.000030128
    118        1           0.000022056   -0.000008502   -0.000022420
    119        1           0.000012975   -0.000003953    0.000018138
    120        1          -0.000016070    0.000016292   -0.000028559
    121        1          -0.000037051   -0.000006305    0.000025127
    122        1           0.000011700   -0.000005979   -0.000015443
    123        1           0.000021321   -0.000010132    0.000026580
    124        1           0.000016843    0.000017699   -0.000041369
    125        1          -0.000022407   -0.000002224   -0.000037344
    126        1          -0.000016808   -0.000005640    0.000029267
    127        1          -0.000006864   -0.000014054   -0.000010985
    128        1           0.000030873    0.000019765    0.000012358
    129        1           0.000004785    0.000009541   -0.000032322
    130        1          -0.000009969   -0.000000597    0.000016332
    131        1          -0.000021575   -0.000022775   -0.000017967
    132        1           0.000009917   -0.000006864    0.000045753
    133        1           0.000077353   -0.000195232   -0.000225512
    134        1           0.000146009   -0.000115122    0.000008212
    135        1          -0.000064884    0.000008823   -0.000056082
    136        1           0.000029597   -0.000008954    0.000024082
    137        1          -0.000007520   -0.000006459   -0.000006889
    138        1          -0.000015825    0.000009475   -0.000013709
    139        1           0.000005236    0.000002773   -0.000003918
    140        1          -0.000007178   -0.000007565    0.000008002
    141        1          -0.000007143   -0.000002478    0.000004574
    142        1          -0.000004997    0.000013842    0.000016214
    143       17          -0.000477560   -0.000048547   -0.000332806
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000892016 RMS     0.000134175

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000582144 RMS     0.000061333
 Search for a local minimum.
 Step number  22 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   18   19   20   21   22
 DE= -7.34D-05 DEPred=-6.51D-05 R= 1.13D+00
 TightC=F SS=  1.41D+00  RLast= 1.68D-01 DXNew= 2.0182D+00 5.0377D-01
 Trust test= 1.13D+00 RLast= 1.68D-01 DXMaxT set to 1.20D+00
 ITU=  1  1  1 -1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  0
 ITU=  1  0
     Eigenvalues ---    0.00177   0.00256   0.00419   0.00420   0.00787
     Eigenvalues ---    0.00882   0.01569   0.01624   0.01988   0.02198
     Eigenvalues ---    0.02560   0.02607   0.02614   0.02671   0.02704
     Eigenvalues ---    0.02708   0.02713   0.02715   0.02722   0.02726
     Eigenvalues ---    0.02728   0.02731   0.02734   0.02747   0.02755
     Eigenvalues ---    0.02769   0.02770   0.02773   0.02774   0.02776
     Eigenvalues ---    0.02780   0.02785   0.02786   0.02786   0.02789
     Eigenvalues ---    0.02791   0.02791   0.02792   0.02792   0.02792
     Eigenvalues ---    0.02793   0.02794   0.02796   0.02797   0.02801
     Eigenvalues ---    0.02802   0.02802   0.02804   0.02805   0.02807
     Eigenvalues ---    0.02807   0.02808   0.02808   0.02808   0.02810
     Eigenvalues ---    0.02811   0.02812   0.02817   0.02817   0.02818
     Eigenvalues ---    0.02818   0.02818   0.02819   0.02820   0.02826
     Eigenvalues ---    0.02828   0.02834   0.02841   0.02844   0.02845
     Eigenvalues ---    0.02845   0.02846   0.02847   0.02847   0.02851
     Eigenvalues ---    0.02857   0.02861   0.02867   0.02868   0.02868
     Eigenvalues ---    0.02869   0.02871   0.02873   0.02873   0.02876
     Eigenvalues ---    0.02876   0.02877   0.02878   0.02879   0.02879
     Eigenvalues ---    0.02884   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02886   0.02886   0.02887   0.02888
     Eigenvalues ---    0.02892   0.02893   0.02895   0.02897   0.02898
     Eigenvalues ---    0.02898   0.02898   0.02899   0.02902   0.02908
     Eigenvalues ---    0.02909   0.02912   0.02929   0.02941   0.02942
     Eigenvalues ---    0.02954   0.03024   0.03025   0.03025   0.03081
     Eigenvalues ---    0.03133   0.03133   0.03134   0.03147   0.03149
     Eigenvalues ---    0.03169   0.03227   0.03329   0.03447   0.03705
     Eigenvalues ---    0.03997   0.04626   0.04755   0.05375   0.05554
     Eigenvalues ---    0.05578   0.05611   0.05715   0.05727   0.05745
     Eigenvalues ---    0.07461   0.09095   0.09626   0.10483   0.11082
     Eigenvalues ---    0.11430   0.11762   0.12768   0.13661   0.15203
     Eigenvalues ---    0.15595   0.15780   0.15926   0.15971   0.15978
     Eigenvalues ---    0.15985   0.15986   0.15987   0.15988   0.15988
     Eigenvalues ---    0.15993   0.15995   0.15996   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15998   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16001   0.16004
     Eigenvalues ---    0.16007   0.16020   0.16024   0.16096   0.16118
     Eigenvalues ---    0.16143   0.16710   0.17307   0.18695   0.19983
     Eigenvalues ---    0.20953   0.21993   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22002   0.22003
     Eigenvalues ---    0.22067   0.22381   0.22439   0.22512   0.22601
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22603   0.22698
     Eigenvalues ---    0.22963   0.22968   0.23006   0.23155   0.23268
     Eigenvalues ---    0.23490   0.23539   0.23753   0.24000   0.24034
     Eigenvalues ---    0.24208   0.24477   0.24488   0.24490   0.24494
     Eigenvalues ---    0.24537   0.24542   0.24786   0.24897   0.24977
     Eigenvalues ---    0.24987   0.24988   0.24988   0.24989   0.24990
     Eigenvalues ---    0.24993   0.24997   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25002   0.25003   0.25015   0.25021
     Eigenvalues ---    0.25079   0.25141   0.25498   0.26505   0.27930
     Eigenvalues ---    0.28455   0.29394   0.29787   0.29797   0.30500
     Eigenvalues ---    0.32016   0.32098   0.32128   0.32141   0.32147
     Eigenvalues ---    0.32157   0.32178   0.32220   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33295   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33461   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33633   0.33638
     Eigenvalues ---    0.33641   0.33643   0.33646   0.33663   0.33702
     Eigenvalues ---    0.33722   0.33740   0.33820   0.33830   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33897   0.33921   0.33941
     Eigenvalues ---    0.33947   0.33955   0.33959   0.34459   0.34527
     Eigenvalues ---    0.34812   0.34921   0.35060   0.38254   0.41606
     Eigenvalues ---    0.42470   0.43713   0.44429   0.44438   0.44441
     Eigenvalues ---    0.44529   0.45873   0.46789   0.48740   0.48970
     Eigenvalues ---    0.48975   0.49063   0.49291   0.49591   0.49800
     Eigenvalues ---    0.49806   0.49827   0.49852   0.49932   0.49973
     Eigenvalues ---    0.50050   0.50194   0.50403   0.50408   0.50611
     Eigenvalues ---    0.50615   0.50617   0.50907   0.51418   0.51960
     Eigenvalues ---    0.52273   0.52519   0.52615   0.52894   0.54005
     Eigenvalues ---    0.54110   0.54140   0.54199   0.54201   0.54206
     Eigenvalues ---    0.54383   0.54649   0.55110   0.55219   0.55296
     Eigenvalues ---    0.55338   0.55348   0.55376   0.55393   0.55418
     Eigenvalues ---    0.55466   0.55524   0.55577   0.55603   0.55699
     Eigenvalues ---    0.55704   0.55760   0.55886   0.55939   0.55948
     Eigenvalues ---    0.56147   0.56151   0.56153   0.56206   0.56268
     Eigenvalues ---    0.56300   0.56343   0.56656   0.56662   0.56664
     Eigenvalues ---    0.56670   0.56672   0.56681   0.56807   0.56891
     Eigenvalues ---    0.56910   0.56915   0.57121   0.57173   0.57178
     Eigenvalues ---    0.57182   0.57195   0.57209   0.57405   0.57959
     Eigenvalues ---    0.61774   0.62508   0.66054   0.66078   0.67650
     Eigenvalues ---    0.67658   0.67662   0.69081   0.70039   0.70086
     Eigenvalues ---    0.73601   0.77864   0.80044
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    22   21   20   19   18   17   16   15   14   13
 RFO step:  Lambda=-5.06635819D-05.
 DidBck=F Rises=F RFO-DIIS coefs:    1.65331   -0.65176    0.01092   -0.30466    0.30033
                  RFO-DIIS coefs:   -0.02581   -0.37321    0.94399   -0.80479    0.25167
 Iteration  1 RMS(Cart)=  0.01694797 RMS(Int)=  0.00012266
 Iteration  2 RMS(Cart)=  0.00012211 RMS(Int)=  0.00011825
 Iteration  3 RMS(Cart)=  0.00000003 RMS(Int)=  0.00011825
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64643   0.00012  -0.00029   0.00039   0.00009   2.64652
    R2        2.66050  -0.00003   0.00010  -0.00013  -0.00006   2.66044
    R3        2.80361  -0.00029   0.00089  -0.00082   0.00006   2.80367
    R4        2.64632  -0.00004   0.00006  -0.00011  -0.00003   2.64629
    R5        2.04884  -0.00001   0.00013  -0.00008   0.00004   2.04888
    R6        2.66454   0.00015  -0.00049   0.00044   0.00011   2.66465
    R7        2.78930   0.00016  -0.00010   0.00057   0.00057   2.78986
    R8        2.64713  -0.00013   0.00008  -0.00028  -0.00019   2.64693
    R9        2.78157  -0.00019   0.00091  -0.00052   0.00041   2.78198
   R10        2.62009   0.00000   0.00022  -0.00003   0.00018   2.62027
   R11        2.04834   0.00001  -0.00001   0.00007   0.00006   2.04841
   R12        2.05103  -0.00001   0.00000  -0.00002  -0.00002   2.05102
   R13        2.67875   0.00005  -0.00028   0.00016  -0.00014   2.67861
   R14        2.64446  -0.00001  -0.00012   0.00009  -0.00002   2.64444
   R15        2.83573   0.00047   0.00260   0.00185   0.00433   2.84006
   R16        2.64570  -0.00023  -0.00031  -0.00049  -0.00081   2.64489
   R17        2.84129   0.00041   0.00259   0.00157   0.00388   2.84518
   R18        2.69701  -0.00025   0.00323   0.00148   0.00476   2.70177
   R19        3.96077  -0.00029  -0.03495   0.00103  -0.03395   3.92682
   R20        2.43414  -0.00034  -0.00042  -0.00060  -0.00104   2.43310
   R21        2.64702   0.00000  -0.00000   0.00002   0.00002   2.64704
   R22        2.04788  -0.00001   0.00004  -0.00002   0.00002   2.04791
   R23        2.65055  -0.00019  -0.00015  -0.00023  -0.00038   2.65017
   R24        2.80042   0.00013   0.00083  -0.00030   0.00053   2.80094
   R25        2.62382   0.00009   0.00045   0.00011   0.00055   2.62437
   R26        2.05039  -0.00001   0.00004  -0.00005  -0.00001   2.05038
   R27        2.04138  -0.00002  -0.00008   0.00007  -0.00001   2.04138
   R28        2.69547   0.00027  -0.00090   0.00079  -0.00008   2.69539
   R29        3.32721  -0.00007  -0.00261  -0.00108  -0.00373   3.32348
   R30        5.36802   0.00000  -0.01725   0.00303  -0.01393   5.35409
   R31        2.67193  -0.00018  -0.00046  -0.00001  -0.00027   2.67166
   R32        2.65351  -0.00025   0.00057  -0.00056   0.00001   2.65352
   R33        2.61456   0.00058  -0.00080   0.00123   0.00060   2.61516
   R34        2.65051  -0.00012   0.00012  -0.00037  -0.00025   2.65026
   R35        2.62455   0.00011   0.00009   0.00024   0.00032   2.62487
   R36        2.03788   0.00004  -0.00020   0.00015  -0.00005   2.03783
   R37        2.65920  -0.00011  -0.00006  -0.00028  -0.00034   2.65885
   R38        2.05122  -0.00001  -0.00003   0.00003   0.00000   2.05122
   R39        2.63326   0.00011  -0.00017   0.00037   0.00020   2.63346
   R40        2.80150  -0.00003   0.00055  -0.00040   0.00015   2.80164
   R41        2.04953  -0.00002   0.00002  -0.00003  -0.00001   2.04952
   R42        2.65566   0.00004  -0.00013   0.00011  -0.00002   2.65565
   R43        2.65535   0.00007  -0.00020   0.00017  -0.00003   2.65532
   R44        2.65588  -0.00009  -0.00010  -0.00003  -0.00013   2.65574
   R45        2.65586  -0.00007   0.00003  -0.00016  -0.00013   2.65574
   R46        2.65564  -0.00004   0.00006  -0.00005   0.00001   2.65565
   R47        2.65565  -0.00003   0.00001  -0.00002  -0.00001   2.65564
   R48        2.62879   0.00008   0.00001   0.00011   0.00012   2.62891
   R49        2.05124   0.00001   0.00004  -0.00004  -0.00000   2.05124
   R50        2.64731  -0.00005   0.00001  -0.00003  -0.00002   2.64729
   R51        2.05010  -0.00002   0.00008  -0.00009  -0.00001   2.05009
   R52        2.64683   0.00001   0.00001   0.00000   0.00001   2.64684
   R53        2.68040  -0.00014  -0.00001  -0.00004  -0.00006   2.68034
   R54        2.62924   0.00002   0.00008   0.00001   0.00009   2.62933
   R55        2.05009  -0.00002   0.00005  -0.00006  -0.00001   2.05008
   R56        2.05144  -0.00000  -0.00008   0.00007  -0.00001   2.05143
   R57        2.62943  -0.00003   0.00014  -0.00009   0.00005   2.62948
   R58        2.05124  -0.00001  -0.00004   0.00004  -0.00000   2.05123
   R59        2.64672   0.00001  -0.00004   0.00001  -0.00003   2.64670
   R60        2.05015  -0.00002   0.00008  -0.00008   0.00000   2.05015
   R61        2.64664   0.00002  -0.00009   0.00004  -0.00004   2.64659
   R62        2.68153  -0.00025   0.00045  -0.00029   0.00016   2.68169
   R63        2.62947  -0.00005   0.00018  -0.00011   0.00007   2.62954
   R64        2.05017  -0.00003   0.00004  -0.00005  -0.00001   2.05016
   R65        2.05148  -0.00001  -0.00004   0.00003  -0.00001   2.05147
   R66        2.62956   0.00004   0.00004   0.00004   0.00007   2.62963
   R67        2.05150  -0.00000  -0.00007   0.00005  -0.00002   2.05148
   R68        2.64631  -0.00001  -0.00003  -0.00002  -0.00005   2.64626
   R69        2.05027  -0.00002   0.00009  -0.00009  -0.00000   2.05027
   R70        2.64649   0.00001  -0.00007   0.00001  -0.00006   2.64642
   R71        2.68236  -0.00023   0.00035  -0.00021   0.00014   2.68251
   R72        2.62936  -0.00001   0.00008  -0.00003   0.00006   2.62941
   R73        2.05024  -0.00002   0.00009  -0.00007   0.00002   2.05026
   R74        2.05131   0.00000  -0.00006   0.00005  -0.00001   2.05130
   R75        2.64677   0.00005  -0.00043   0.00019  -0.00023   2.64653
   R76        2.64680   0.00003  -0.00040   0.00018  -0.00022   2.64659
   R77        2.64757  -0.00009  -0.00008  -0.00003  -0.00010   2.64747
   R78        2.64755  -0.00004  -0.00008   0.00000  -0.00008   2.64746
   R79        2.64640   0.00003  -0.00036   0.00012  -0.00024   2.64616
   R80        2.64608   0.00002  -0.00033   0.00012  -0.00021   2.64587
   R81        2.67973  -0.00000   0.00007  -0.00002   0.00005   2.67979
   R82        2.64089   0.00002   0.00000   0.00005   0.00005   2.64094
   R83        2.73653  -0.00002  -0.00004   0.00001  -0.00003   2.73650
   R84        2.64493  -0.00003   0.00011  -0.00009   0.00002   2.64495
   R85        2.67967   0.00000   0.00009  -0.00001   0.00008   2.67974
   R86        2.64493  -0.00002   0.00012  -0.00010   0.00003   2.64496
   R87        2.64087   0.00002   0.00006   0.00002   0.00008   2.64095
   R88        2.67990  -0.00001   0.00022  -0.00010   0.00012   2.68002
   R89        2.64089   0.00004   0.00007   0.00001   0.00008   2.64097
   R90        2.73656  -0.00004  -0.00003  -0.00001  -0.00005   2.73651
   R91        2.64502  -0.00004   0.00014  -0.00012   0.00002   2.64505
   R92        2.67995  -0.00002   0.00017  -0.00007   0.00010   2.68005
   R93        2.64503  -0.00005   0.00015  -0.00013   0.00002   2.64505
   R94        2.64090   0.00003   0.00002   0.00003   0.00005   2.64095
   R95        2.68003  -0.00002   0.00017  -0.00007   0.00010   2.68013
   R96        2.64093   0.00003   0.00003   0.00002   0.00005   2.64098
   R97        2.73652  -0.00004  -0.00003  -0.00001  -0.00004   2.73647
   R98        2.64512  -0.00005   0.00014  -0.00012   0.00002   2.64514
   R99        2.68018  -0.00001   0.00018  -0.00006   0.00012   2.68030
   R100       2.64505  -0.00004   0.00013  -0.00011   0.00002   2.64508
   R101       2.64096   0.00002   0.00002   0.00004   0.00006   2.64101
   R102       2.62987  -0.00006   0.00002  -0.00008  -0.00006   2.62981
   R103       2.05271   0.00000  -0.00001   0.00002   0.00001   2.05271
   R104       2.65527   0.00001   0.00011  -0.00004   0.00007   2.65533
   R105       2.05147  -0.00001   0.00001  -0.00002  -0.00000   2.05146
   R106       2.63271  -0.00002  -0.00007   0.00003  -0.00004   2.63267
   R107       2.05227  -0.00000  -0.00001   0.00002   0.00001   2.05228
   R108       2.04901  -0.00002   0.00003  -0.00005  -0.00003   2.04899
   R109       2.63273  -0.00002  -0.00007   0.00003  -0.00004   2.63269
   R110       2.04901  -0.00002   0.00008  -0.00008  -0.00000   2.04900
   R111       2.65525   0.00002   0.00011  -0.00004   0.00007   2.65532
   R112       2.05230  -0.00000  -0.00001   0.00002   0.00001   2.05231
   R113       2.62991  -0.00007   0.00004  -0.00009  -0.00005   2.62986
   R114       2.05151  -0.00001   0.00001  -0.00002  -0.00001   2.05150
   R115       2.05271   0.00000  -0.00001   0.00002   0.00001   2.05272
   R116       2.62986  -0.00005   0.00001  -0.00006  -0.00005   2.62982
   R117       2.05274   0.00000  -0.00001   0.00002   0.00001   2.05275
   R118       2.65538   0.00000   0.00015  -0.00006   0.00009   2.65547
   R119       2.05152  -0.00001   0.00002  -0.00002  -0.00001   2.05152
   R120       2.63268  -0.00002  -0.00009   0.00003  -0.00006   2.63261
   R121       2.05230  -0.00000  -0.00001   0.00002   0.00000   2.05231
   R122       2.04902  -0.00002   0.00007  -0.00005   0.00002   2.04904
   R123       2.63267  -0.00002  -0.00009   0.00003  -0.00006   2.63260
   R124       2.04905  -0.00002   0.00004  -0.00003   0.00001   2.04906
   R125       2.65540   0.00000   0.00014  -0.00005   0.00008   2.65548
   R126       2.05229  -0.00000  -0.00001   0.00002   0.00001   2.05230
   R127       2.62988  -0.00006   0.00001  -0.00006  -0.00005   2.62983
   R128       2.05151  -0.00001   0.00002  -0.00002  -0.00000   2.05151
   R129       2.05274   0.00000  -0.00001   0.00002   0.00001   2.05275
   R130       2.62995  -0.00007   0.00002  -0.00007  -0.00005   2.62989
   R131       2.05276   0.00000  -0.00001   0.00002   0.00001   2.05277
   R132       2.65545   0.00000   0.00014  -0.00006   0.00008   2.65553
   R133       2.05154  -0.00001   0.00002  -0.00002  -0.00000   2.05154
   R134       2.63263  -0.00002  -0.00009   0.00005  -0.00005   2.63259
   R135       2.05236  -0.00000  -0.00001   0.00002   0.00001   2.05237
   R136       2.04912  -0.00003   0.00006  -0.00008  -0.00002   2.04910
   R137       2.63258  -0.00002  -0.00009   0.00003  -0.00006   2.63252
   R138       2.04906  -0.00001   0.00005  -0.00002   0.00003   2.04909
   R139       2.65553   0.00000   0.00015  -0.00005   0.00010   2.65563
   R140       2.05230  -0.00000  -0.00001   0.00002   0.00001   2.05230
   R141       2.62982  -0.00006   0.00001  -0.00006  -0.00004   2.62978
   R142       2.05153  -0.00001   0.00002  -0.00002  -0.00000   2.05152
   R143       2.05276   0.00000  -0.00001   0.00002   0.00001   2.05277
   R144       2.78542  -0.00003   0.00012   0.00005   0.00018   2.78559
   R145       3.03006  -0.00026   0.00085  -0.00024   0.00086   3.03093
   R146       3.04407   0.00002  -0.00018  -0.00009  -0.00028   3.04379
   R147       2.76843  -0.00053   0.00054  -0.00126  -0.00095   2.76748
   R148       2.75504   0.00007   0.00018  -0.00008   0.00010   2.75514
   R149       2.86310  -0.00000   0.00011  -0.00018  -0.00008   2.86303
   R150       2.06496  -0.00016   0.00020  -0.00002   0.00005   2.06501
   R151       2.06371   0.00000   0.00019  -0.00009   0.00008   2.06379
   R152       2.06862  -0.00003  -0.00004  -0.00004  -0.00008   2.06855
   R153       2.06687   0.00001  -0.00004   0.00001  -0.00003   2.06684
   R154       2.06666  -0.00001  -0.00001  -0.00002  -0.00003   2.06663
   R155       2.86353   0.00000  -0.00004   0.00003  -0.00001   2.86352
   R156       2.06947  -0.00002  -0.00002  -0.00005  -0.00007   2.06940
   R157       2.06733  -0.00001  -0.00001   0.00002   0.00001   2.06734
   R158       2.06628  -0.00001   0.00000  -0.00002  -0.00002   2.06627
   R159       2.06819   0.00000   0.00001   0.00002   0.00002   2.06821
   R160       2.06607  -0.00001   0.00003  -0.00004  -0.00000   2.06607
   R161       5.77971   0.00001   0.02147   0.00189   0.02284   5.80254
   R162       6.21517   0.00011   0.02597   0.00341   0.02960   6.24477
    A1        2.06467  -0.00004   0.00012  -0.00001   0.00011   2.06478
    A2        2.10878  -0.00000   0.00003  -0.00012  -0.00009   2.10870
    A3        2.10973   0.00004  -0.00015   0.00013  -0.00002   2.10971
    A4        2.12701   0.00003  -0.00009   0.00010   0.00007   2.12707
    A5        2.07051  -0.00001  -0.00000  -0.00012  -0.00015   2.07036
    A6        2.08495  -0.00002   0.00014  -0.00001   0.00010   2.08505
    A7        2.07169  -0.00006   0.00023  -0.00038  -0.00022   2.07147
    A8        2.14637  -0.00003   0.00046   0.00019   0.00044   2.14681
    A9        2.06214   0.00009  -0.00085   0.00023  -0.00035   2.06179
   A10        2.09073   0.00002  -0.00004   0.00028   0.00021   2.09094
   A11        2.09601   0.00003  -0.00041  -0.00008  -0.00033   2.09569
   A12        2.09581  -0.00005   0.00051  -0.00018   0.00019   2.09599
   A13        2.10485   0.00004   0.00001  -0.00004   0.00001   2.10486
   A14        2.06685  -0.00004   0.00012  -0.00009   0.00001   2.06686
   A15        2.11140   0.00000  -0.00012   0.00013  -0.00001   2.11139
   A16        2.10595   0.00001  -0.00017   0.00001  -0.00016   2.10579
   A17        2.08874  -0.00002   0.00025  -0.00022   0.00003   2.08877
   A18        2.08848   0.00001  -0.00008   0.00020   0.00013   2.08861
   A19        2.09388   0.00003  -0.00058   0.00025  -0.00024   2.09364
   A20        2.10680   0.00001   0.00016  -0.00004   0.00010   2.10690
   A21        2.07546  -0.00004   0.00023  -0.00021  -0.00002   2.07544
   A22        2.07175  -0.00014   0.00024  -0.00069  -0.00057   2.07118
   A23        2.06761   0.00008  -0.00039   0.00053   0.00019   2.06780
   A24        2.13937   0.00005   0.00042   0.00013   0.00060   2.13997
   A25        1.93795   0.00003  -0.00669   0.00021  -0.00551   1.93244
   A26        2.05333  -0.00005  -0.00369  -0.00055  -0.00342   2.04990
   A27        1.87144  -0.00018   0.00353  -0.00081   0.00230   1.87374
   A28        2.01440  -0.00002  -0.00409  -0.00029  -0.00341   2.01099
   A29        1.69256   0.00001   0.00650   0.00119   0.00738   1.69994
   A30        2.02376  -0.00002  -0.00140  -0.00027  -0.00150   2.02226
   A31        2.08498   0.00004  -0.00012   0.00018   0.00028   2.08526
   A32        2.17196  -0.00001   0.00147   0.00004   0.00127   2.17323
   A33        2.13701  -0.00007   0.00003  -0.00018  -0.00014   2.13687
   A34        2.07685   0.00003  -0.00004   0.00020   0.00016   2.07701
   A35        2.06637   0.00004   0.00001   0.00000   0.00000   2.06638
   A36        2.05290   0.00008  -0.00024   0.00023  -0.00001   2.05289
   A37        2.10959  -0.00002   0.00044  -0.00046  -0.00003   2.10956
   A38        2.11997  -0.00006  -0.00022   0.00027   0.00004   2.12002
   A39        2.10831   0.00001  -0.00006   0.00010   0.00003   2.10834
   A40        2.09483  -0.00003   0.00029  -0.00022   0.00008   2.09492
   A41        2.07981   0.00002  -0.00022   0.00011  -0.00011   2.07970
   A42        2.11957  -0.00006   0.00016  -0.00033  -0.00018   2.11940
   A43        2.10023   0.00002   0.00020  -0.00003   0.00018   2.10041
   A44        2.06302   0.00004  -0.00037   0.00039   0.00003   2.06305
   A45        2.08126   0.00011   0.00159  -0.00015   0.00121   2.08247
   A46        2.05737  -0.00009   0.00017   0.00017   0.00055   2.05792
   A47        2.08414  -0.00003   0.00172  -0.00041   0.00137   2.08551
   A48        2.06793   0.00014   0.00836   0.00094   0.00941   2.07734
   A49        1.55433  -0.00004   0.00656  -0.00089   0.00562   1.55995
   A50        2.07825  -0.00006   0.00021   0.00013   0.00040   2.07865
   A51        2.15206  -0.00013   0.00084  -0.00066   0.00013   2.15219
   A52        2.05199   0.00018  -0.00103   0.00056  -0.00047   2.05152
   A53        2.14032  -0.00003  -0.00041   0.00007  -0.00013   2.14019
   A54        2.10312  -0.00003   0.00050  -0.00010   0.00033   2.10345
   A55        2.03968   0.00006  -0.00009   0.00002  -0.00021   2.03947
   A56        2.07843   0.00001   0.00036   0.00019   0.00059   2.07902
   A57        2.11022  -0.00009   0.00063  -0.00040   0.00025   2.11047
   A58        2.10647  -0.00002   0.00038  -0.00019   0.00018   2.10665
   A59        2.06649   0.00011  -0.00101   0.00059  -0.00043   2.06606
   A60        2.13250  -0.00004   0.00006  -0.00001   0.00005   2.13256
   A61        2.06323   0.00006  -0.00042   0.00027  -0.00016   2.06308
   A62        2.08725  -0.00001   0.00037  -0.00027   0.00010   2.08735
   A63        2.03847   0.00004  -0.00061   0.00027  -0.00033   2.03814
   A64        2.12196  -0.00000   0.00025  -0.00003   0.00021   2.12217
   A65        2.12275  -0.00004   0.00036  -0.00024   0.00012   2.12287
   A66        2.12997  -0.00007   0.00044  -0.00032   0.00016   2.13013
   A67        2.03141   0.00008  -0.00069   0.00060  -0.00011   2.03130
   A68        2.12150  -0.00002   0.00025  -0.00029  -0.00006   2.12144
   A69        2.11103   0.00007  -0.00029   0.00032   0.00003   2.11106
   A70        2.11591   0.00003  -0.00005   0.00001  -0.00004   2.11587
   A71        2.05625  -0.00010   0.00034  -0.00033   0.00001   2.05626
   A72        2.11675  -0.00002  -0.00043   0.00043  -0.00000   2.11675
   A73        2.11057   0.00001   0.00052  -0.00045   0.00007   2.11064
   A74        2.05587   0.00001  -0.00009   0.00002  -0.00007   2.05580
   A75        2.11450   0.00007  -0.00018   0.00028   0.00010   2.11460
   A76        2.11343  -0.00004   0.00028  -0.00021   0.00007   2.11350
   A77        2.05525  -0.00003  -0.00010  -0.00006  -0.00017   2.05509
   A78        2.11687   0.00000   0.00007  -0.00002   0.00005   2.11691
   A79        2.08679   0.00001   0.00026  -0.00011   0.00015   2.08694
   A80        2.07865  -0.00001  -0.00028   0.00010  -0.00018   2.07847
   A81        2.09819  -0.00001   0.00009  -0.00002   0.00007   2.09826
   A82        2.10043  -0.00003  -0.00014  -0.00007  -0.00021   2.10022
   A83        2.08434   0.00003   0.00005   0.00009   0.00014   2.08448
   A84        2.08029  -0.00001  -0.00016   0.00000  -0.00016   2.08013
   A85        2.10122   0.00000  -0.00009   0.00012   0.00003   2.10125
   A86        2.10167   0.00001   0.00025  -0.00012   0.00013   2.10180
   A87        2.09777  -0.00001   0.00008  -0.00002   0.00006   2.09783
   A88        2.08481   0.00002   0.00008   0.00005   0.00013   2.08494
   A89        2.10037  -0.00001  -0.00015  -0.00004  -0.00019   2.10018
   A90        2.11721   0.00001   0.00001   0.00004   0.00006   2.11726
   A91        2.08473   0.00000   0.00046  -0.00032   0.00014   2.08486
   A92        2.08031  -0.00001  -0.00044   0.00025  -0.00019   2.08012
   A93        2.11662   0.00006  -0.00019   0.00021   0.00002   2.11663
   A94        2.08564  -0.00003   0.00018  -0.00021  -0.00004   2.08560
   A95        2.08004  -0.00003   0.00003  -0.00000   0.00003   2.08007
   A96        2.09795   0.00001  -0.00003   0.00001  -0.00002   2.09792
   A97        2.10044  -0.00003   0.00010  -0.00015  -0.00005   2.10039
   A98        2.08458   0.00002  -0.00006   0.00014   0.00008   2.08466
   A99        2.08075  -0.00004   0.00010  -0.00009   0.00001   2.08075
   A100       2.10147   0.00003  -0.00016   0.00014  -0.00002   2.10145
   A101       2.10097   0.00000   0.00006  -0.00005   0.00001   2.10098
   A102       2.09755   0.00002  -0.00001   0.00004   0.00003   2.09758
   A103       2.08453   0.00001   0.00001   0.00006   0.00007   2.08460
   A104       2.10088  -0.00003   0.00002  -0.00010  -0.00009   2.10079
   A105       2.11709   0.00005  -0.00020   0.00017  -0.00004   2.11706
   A106       2.08587  -0.00002   0.00021  -0.00019   0.00002   2.08589
   A107       2.07936  -0.00003   0.00001   0.00001   0.00002   2.07938
   A108       2.11751   0.00001   0.00007  -0.00000   0.00006   2.11757
   A109       2.08695  -0.00000   0.00017  -0.00012   0.00005   2.08700
   A110       2.07788  -0.00001  -0.00021   0.00010  -0.00011   2.07777
   A111       2.09784   0.00001   0.00001   0.00004   0.00005   2.09789
   A112       2.10067  -0.00003  -0.00004  -0.00011  -0.00015   2.10052
   A113       2.08446   0.00002   0.00003   0.00007   0.00010   2.08456
   A114       2.08025  -0.00003  -0.00004  -0.00003  -0.00008   2.08018
   A115       2.10130   0.00002   0.00002   0.00008   0.00010   2.10140
   A116       2.10163   0.00001   0.00002  -0.00004  -0.00002   2.10161
   A117       2.09819  -0.00001   0.00006  -0.00005   0.00001   2.09820
   A118       2.08456   0.00003  -0.00001   0.00010   0.00008   2.08464
   A119       2.10022  -0.00002  -0.00003  -0.00006  -0.00009   2.10013
   A120       2.11721   0.00004   0.00002   0.00010   0.00012   2.11733
   A121       2.08566  -0.00002   0.00028  -0.00020   0.00008   2.08574
   A122       2.07960  -0.00002  -0.00028   0.00008  -0.00020   2.07940
   A123       2.19592   0.00001   0.00004  -0.00007  -0.00003   2.19589
   A124       2.19605   0.00002  -0.00025   0.00018  -0.00007   2.19598
   A125       1.89121  -0.00003   0.00021  -0.00010   0.00010   1.89132
   A126       2.19620  -0.00002  -0.00010   0.00001  -0.00009   2.19612
   A127       2.19602   0.00001   0.00004   0.00003   0.00007   2.19608
   A128       1.89096   0.00001   0.00006  -0.00004   0.00002   1.89098
   A129       2.19592   0.00001  -0.00015   0.00003  -0.00012   2.19581
   A130       2.19604   0.00001  -0.00002   0.00005   0.00003   2.19606
   A131       1.89123  -0.00002   0.00017  -0.00009   0.00009   1.89132
   A132       1.90138   0.00002  -0.00001   0.00004   0.00003   1.90141
   A133       2.25938   0.00002  -0.00007   0.00015   0.00008   2.25947
   A134       2.12196  -0.00004   0.00008  -0.00019  -0.00011   2.12185
   A135       1.86551  -0.00001  -0.00002  -0.00002  -0.00003   1.86548
   A136       2.08594   0.00003  -0.00009   0.00015   0.00006   2.08600
   A137       2.33169  -0.00002   0.00012  -0.00015  -0.00003   2.33167
   A138       1.86547  -0.00001  -0.00000  -0.00002  -0.00002   1.86545
   A139       2.33167  -0.00002   0.00007  -0.00013  -0.00005   2.33162
   A140       2.08601   0.00003  -0.00006   0.00014   0.00007   2.08608
   A141       1.90144   0.00000  -0.00003   0.00003   0.00000   1.90145
   A142       2.25944   0.00004   0.00003   0.00012   0.00014   2.25959
   A143       2.12185  -0.00004   0.00001  -0.00015  -0.00015   2.12170
   A144       1.90152  -0.00000  -0.00003   0.00002  -0.00001   1.90151
   A145       2.25906   0.00007  -0.00005   0.00017   0.00013   2.25918
   A146       2.12220  -0.00007   0.00011  -0.00021  -0.00010   2.12209
   A147       1.86527   0.00001  -0.00007   0.00003  -0.00004   1.86522
   A148       2.08570   0.00005  -0.00019   0.00022   0.00003   2.08573
   A149       2.33218  -0.00007   0.00028  -0.00026   0.00002   2.33220
   A150       1.86532   0.00001  -0.00009   0.00005  -0.00004   1.86528
   A151       2.33209  -0.00006   0.00030  -0.00027   0.00003   2.33212
   A152       2.08574   0.00005  -0.00020   0.00021   0.00001   2.08575
   A153       1.90146   0.00000  -0.00001  -0.00000  -0.00001   1.90145
   A154       2.25919   0.00005  -0.00012   0.00020   0.00009   2.25928
   A155       2.12213  -0.00006   0.00016  -0.00022  -0.00006   2.12207
   A156       1.90164  -0.00000  -0.00000   0.00002   0.00002   1.90165
   A157       2.25883   0.00006  -0.00009   0.00014   0.00005   2.25888
   A158       2.12233  -0.00005   0.00012  -0.00017  -0.00006   2.12227
   A159       1.86513   0.00001  -0.00008   0.00002  -0.00005   1.86508
   A160       2.08564   0.00005  -0.00016   0.00019   0.00002   2.08566
   A161       2.33238  -0.00006   0.00025  -0.00022   0.00003   2.33241
   A162       1.86509   0.00001  -0.00006   0.00002  -0.00004   1.86505
   A163       2.33247  -0.00006   0.00024  -0.00023   0.00001   2.33248
   A164       2.08559   0.00005  -0.00017   0.00021   0.00003   2.08563
   A165       1.90168  -0.00000  -0.00003   0.00002  -0.00001   1.90168
   A166       2.25896   0.00006  -0.00007   0.00019   0.00012   2.25907
   A167       2.12217  -0.00006   0.00013  -0.00023  -0.00010   2.12207
   A168       2.07978   0.00001  -0.00001   0.00004   0.00003   2.07981
   A169       2.10057  -0.00004   0.00015  -0.00022  -0.00007   2.10050
   A170       2.10282   0.00003  -0.00015   0.00019   0.00004   2.10286
   A171       2.10432  -0.00002   0.00006  -0.00012  -0.00006   2.10426
   A172       2.09157   0.00003  -0.00014   0.00022   0.00009   2.09165
   A173       2.08729  -0.00002   0.00007  -0.00010  -0.00003   2.08726
   A174       2.11952   0.00002  -0.00007   0.00011   0.00003   2.11955
   A175       2.08512  -0.00001  -0.00004  -0.00001  -0.00005   2.08507
   A176       2.07854  -0.00001   0.00011  -0.00010   0.00001   2.07856
   A177       2.05473  -0.00000   0.00007  -0.00000   0.00007   2.05480
   A178       2.11708   0.00001  -0.00005   0.00008   0.00003   2.11711
   A179       2.11136  -0.00001  -0.00002  -0.00008  -0.00010   2.11126
   A180       2.05461  -0.00001   0.00002   0.00002   0.00005   2.05466
   A181       2.11717   0.00001  -0.00005   0.00008   0.00003   2.11720
   A182       2.11139  -0.00001   0.00002  -0.00010  -0.00008   2.11131
   A183       2.11958   0.00002  -0.00007   0.00011   0.00003   2.11961
   A184       2.07843  -0.00001   0.00010  -0.00009   0.00000   2.07843
   A185       2.08517  -0.00001  -0.00002  -0.00001  -0.00004   2.08513
   A186       2.10434  -0.00002   0.00008  -0.00014  -0.00005   2.10428
   A187       2.08737  -0.00001   0.00008  -0.00010  -0.00002   2.08735
   A188       2.09147   0.00003  -0.00016   0.00024   0.00008   2.09155
   A189       2.07977   0.00001  -0.00003   0.00005   0.00002   2.07979
   A190       2.10058  -0.00004   0.00016  -0.00023  -0.00007   2.10051
   A191       2.10282   0.00003  -0.00014   0.00018   0.00005   2.10287
   A192       2.07981   0.00001   0.00000   0.00003   0.00003   2.07984
   A193       2.10061  -0.00004   0.00019  -0.00027  -0.00007   2.10053
   A194       2.10275   0.00003  -0.00019   0.00024   0.00005   2.10280
   A195       2.10444  -0.00003   0.00014  -0.00017  -0.00003   2.10440
   A196       2.09146   0.00004  -0.00017   0.00024   0.00007   2.09153
   A197       2.08728  -0.00001   0.00003  -0.00007  -0.00004   2.08724
   A198       2.11953   0.00003  -0.00012   0.00015   0.00002   2.11955
   A199       2.08509   0.00000  -0.00007   0.00005  -0.00003   2.08506
   A200       2.07857  -0.00003   0.00020  -0.00019   0.00000   2.07857
   A201       2.05458   0.00000   0.00003   0.00001   0.00003   2.05461
   A202       2.11689   0.00002  -0.00019   0.00019   0.00000   2.11689
   A203       2.11171  -0.00002   0.00016  -0.00020  -0.00004   2.11167
   A204       2.05457   0.00000   0.00005  -0.00000   0.00005   2.05462
   A205       2.11675   0.00004  -0.00018   0.00022   0.00004   2.11680
   A206       2.11184  -0.00004   0.00013  -0.00022  -0.00009   2.11175
   A207       2.11948   0.00003  -0.00012   0.00016   0.00003   2.11951
   A208       2.07865  -0.00003   0.00021  -0.00021  -0.00000   2.07865
   A209       2.08505  -0.00000  -0.00009   0.00006  -0.00003   2.08502
   A210       2.10448  -0.00003   0.00014  -0.00018  -0.00004   2.10444
   A211       2.08722  -0.00001   0.00005  -0.00008  -0.00003   2.08720
   A212       2.09148   0.00004  -0.00019   0.00025   0.00007   2.09154
   A213       2.07980   0.00001   0.00002   0.00001   0.00003   2.07984
   A214       2.10062  -0.00004   0.00021  -0.00027  -0.00007   2.10056
   A215       2.10275   0.00003  -0.00023   0.00026   0.00003   2.10278
   A216       2.07991   0.00001  -0.00001   0.00004   0.00003   2.07994
   A217       2.10059  -0.00004   0.00020  -0.00026  -0.00006   2.10053
   A218       2.10267   0.00003  -0.00020   0.00022   0.00003   2.10270
   A219       2.10445  -0.00003   0.00013  -0.00017  -0.00004   2.10440
   A220       2.09142   0.00004  -0.00019   0.00026   0.00007   2.09149
   A221       2.08732  -0.00001   0.00006  -0.00009  -0.00003   2.08729
   A222       2.11948   0.00003  -0.00011   0.00014   0.00003   2.11951
   A223       2.08500  -0.00000  -0.00006   0.00002  -0.00004   2.08496
   A224       2.07871  -0.00003   0.00016  -0.00016   0.00001   2.07871
   A225       2.05464  -0.00000   0.00003   0.00001   0.00005   2.05469
   A226       2.11639   0.00002  -0.00015   0.00015   0.00001   2.11640
   A227       2.11214  -0.00002   0.00012  -0.00017  -0.00005   2.11209
   A228       2.05443  -0.00000   0.00004  -0.00003   0.00002   2.05445
   A229       2.11675   0.00003  -0.00018   0.00018  -0.00000   2.11675
   A230       2.11199  -0.00002   0.00014  -0.00016  -0.00001   2.11198
   A231       2.11957   0.00003  -0.00011   0.00015   0.00004   2.11960
   A232       2.07857  -0.00003   0.00018  -0.00018  -0.00001   2.07856
   A233       2.08505  -0.00000  -0.00007   0.00004  -0.00003   2.08502
   A234       2.10452  -0.00003   0.00013  -0.00016  -0.00003   2.10448
   A235       2.08724  -0.00001   0.00006  -0.00010  -0.00004   2.08720
   A236       2.09142   0.00004  -0.00019   0.00026   0.00007   2.09149
   A237       2.07975   0.00001  -0.00000   0.00002   0.00002   2.07977
   A238       2.10067  -0.00004   0.00019  -0.00026  -0.00007   2.10060
   A239       2.10275   0.00003  -0.00018   0.00024   0.00006   2.10280
   A240       2.01952   0.00008  -0.00153   0.00023  -0.00173   2.01779
   A241       1.84477  -0.00008   0.00056   0.00017   0.00142   1.84618
   A242       1.72556  -0.00007   0.00283  -0.00027   0.00271   1.72827
   A243       2.02654   0.00007  -0.00128   0.00070  -0.00053   2.02601
   A244       2.02954   0.00001   0.00068   0.00032   0.00107   2.03060
   A245       1.77800  -0.00004  -0.00061  -0.00145  -0.00253   1.77547
   A246       2.11446   0.00004  -0.00099   0.00008  -0.00048   2.11398
   A247       2.06280  -0.00009   0.00058  -0.00039   0.00019   2.06299
   A248       1.87790   0.00005  -0.00127   0.00081  -0.00018   1.87772
   A249       1.87715   0.00000   0.00145  -0.00044   0.00092   1.87806
   A250       1.89561  -0.00007  -0.00015   0.00044  -0.00005   1.89555
   A251       1.95621  -0.00001   0.00003  -0.00057  -0.00096   1.95525
   A252       1.96127  -0.00000  -0.00024  -0.00035  -0.00051   1.96076
   A253       1.89302   0.00003   0.00026   0.00014   0.00086   1.89388
   A254       1.91102  -0.00013   0.00100  -0.00098   0.00002   1.91104
   A255       1.93768   0.00007  -0.00084   0.00059  -0.00025   1.93743
   A256       1.93773   0.00000  -0.00023   0.00002  -0.00022   1.93751
   A257       1.89039   0.00002   0.00006   0.00013   0.00019   1.89059
   A258       1.88984   0.00005   0.00002   0.00021   0.00024   1.89007
   A259       1.89592  -0.00002   0.00002   0.00003   0.00005   1.89597
   A260       1.88135  -0.00002   0.00001  -0.00009  -0.00008   1.88127
   A261       1.89121   0.00000   0.00030  -0.00021   0.00009   1.89130
   A262       1.89404   0.00000   0.00000  -0.00005  -0.00005   1.89399
   A263       1.94693   0.00002  -0.00018   0.00017  -0.00001   1.94691
   A264       1.95146  -0.00000  -0.00010   0.00014   0.00004   1.95150
   A265       1.89723  -0.00000  -0.00001   0.00003   0.00001   1.89724
   A266       1.93706   0.00001  -0.00017   0.00011  -0.00006   1.93700
   A267       1.91352  -0.00000   0.00006  -0.00004   0.00002   1.91354
   A268       1.93475  -0.00003   0.00025  -0.00026  -0.00001   1.93474
   A269       1.89195   0.00000  -0.00003   0.00008   0.00006   1.89201
   A270       1.89318   0.00001  -0.00004   0.00005   0.00001   1.89319
   A271       1.89227   0.00001  -0.00007   0.00006  -0.00001   1.89226
   A272       1.88050   0.00008   0.00293   0.00050   0.00412   1.88462
   A273       1.65106  -0.00002   0.00048  -0.00030   0.00034   1.65139
   A274       1.77152  -0.00027  -0.01096  -0.00149  -0.01216   1.75936
   A275       1.81512  -0.00020  -0.00093  -0.00008  -0.00104   1.81407
   A276       1.27376  -0.00018  -0.01208  -0.00120  -0.01273   1.26103
   A277       1.35117  -0.00014  -0.00461  -0.00054  -0.00481   1.34636
   A278       0.56153  -0.00002  -0.00220  -0.00027  -0.00246   0.55908
    D1        0.01191  -0.00002   0.00038  -0.00043  -0.00007   0.01185
    D2        3.11267  -0.00003   0.00152  -0.00118   0.00031   3.11299
    D3       -3.12893  -0.00002  -0.00009  -0.00020  -0.00030  -3.12923
    D4       -0.02817  -0.00003   0.00105  -0.00095   0.00009  -0.02808
    D5       -0.03078  -0.00001   0.00073  -0.00051   0.00023  -0.03056
    D6        3.10602  -0.00001   0.00039  -0.00050  -0.00010   3.10592
    D7        3.11006  -0.00001   0.00120  -0.00074   0.00046   3.11051
    D8       -0.03632  -0.00001   0.00086  -0.00073   0.00013  -0.03619
    D9        2.48461   0.00005  -0.00288   0.00163  -0.00126   2.48335
   D10       -0.65696   0.00005  -0.00293   0.00157  -0.00137  -0.65833
   D11       -0.65621   0.00005  -0.00336   0.00186  -0.00150  -0.65771
   D12        2.48540   0.00005  -0.00341   0.00180  -0.00160   2.48380
   D13        0.03203   0.00002  -0.00134   0.00117  -0.00016   0.03187
   D14       -3.02492   0.00005   0.00101   0.00066   0.00161  -3.02331
   D15       -3.06840   0.00004  -0.00249   0.00193  -0.00054  -3.06894
   D16        0.15783   0.00006  -0.00014   0.00142   0.00123   0.15906
   D17       -0.05766  -0.00002   0.00121  -0.00100   0.00022  -0.05744
   D18        3.04570   0.00001   0.00298  -0.00070   0.00226   3.04796
   D19        3.00340  -0.00005  -0.00096  -0.00052  -0.00142   3.00198
   D20       -0.17641  -0.00002   0.00081  -0.00021   0.00062  -0.17580
   D21       -2.91557  -0.00003  -0.00341   0.00225  -0.00117  -2.91674
   D22        0.35467   0.00001  -0.00182   0.00222   0.00036   0.35503
   D23        0.31023   0.00000  -0.00113   0.00177   0.00058   0.31081
   D24       -2.70272   0.00004   0.00047   0.00174   0.00211  -2.70061
   D25        0.03993  -0.00000  -0.00015   0.00010  -0.00006   0.03986
   D26       -3.11515  -0.00002   0.00070  -0.00050   0.00020  -3.11495
   D27       -3.06345  -0.00003  -0.00189  -0.00020  -0.00209  -3.06554
   D28        0.06466  -0.00004  -0.00104  -0.00080  -0.00183   0.06284
   D29       -0.37759   0.00004  -0.00685  -0.00083  -0.00758  -0.38517
   D30        2.83631   0.00004  -0.00825  -0.00015  -0.00828   2.82804
   D31        2.72567   0.00006  -0.00509  -0.00052  -0.00554   2.72013
   D32       -0.34361   0.00007  -0.00649   0.00017  -0.00623  -0.34985
   D33        0.00507   0.00001  -0.00085   0.00068  -0.00016   0.00491
   D34       -3.13173   0.00002  -0.00050   0.00067   0.00017  -3.13156
   D35       -3.12269   0.00003  -0.00173   0.00129  -0.00043  -3.12312
   D36        0.02369   0.00004  -0.00138   0.00128  -0.00011   0.02359
   D37        0.12812   0.00001   0.00765  -0.00210   0.00545   0.13356
   D38       -2.91483   0.00005   0.00474  -0.00172   0.00295  -2.91187
   D39       -3.13982  -0.00003   0.00607  -0.00206   0.00395  -3.13586
   D40        0.10043   0.00001   0.00316  -0.00168   0.00146   0.10189
   D41        2.98522  -0.00003  -0.00409   0.00145  -0.00258   2.98264
   D42       -0.07252  -0.00004  -0.00408   0.00115  -0.00289  -0.07541
   D43       -0.02906   0.00000  -0.00245   0.00139  -0.00105  -0.03011
   D44       -3.08681  -0.00000  -0.00244   0.00108  -0.00136  -3.08817
   D45       -0.65070   0.00003  -0.01112   0.00103  -0.01035  -0.66105
   D46       -3.02613   0.00008   0.00260   0.00185   0.00493  -3.02120
   D47        1.17845  -0.00004  -0.00496   0.00209  -0.00309   1.17536
   D48        2.38796  -0.00001  -0.00813   0.00065  -0.00778   2.38018
   D49        0.01253   0.00004   0.00559   0.00148   0.00751   0.02004
   D50       -2.06607  -0.00007  -0.00197   0.00172  -0.00052  -2.06659
   D51       -0.09581  -0.00001  -0.00131   0.00059  -0.00070  -0.09651
   D52        3.01638   0.00000  -0.00155   0.00201   0.00044   3.01682
   D53       -3.13470   0.00004  -0.00434   0.00103  -0.00323  -3.13793
   D54       -0.02252   0.00005  -0.00458   0.00245  -0.00209  -0.02460
   D55        0.76876  -0.00002   0.01025   0.00063   0.01114   0.77991
   D56       -2.44918  -0.00002   0.01161  -0.00009   0.01183  -2.43736
   D57       -3.12063  -0.00008  -0.00317  -0.00030  -0.00375  -3.12438
   D58       -0.05539  -0.00008  -0.00181  -0.00102  -0.00306  -0.05846
   D59       -1.17751   0.00017   0.00573   0.00092   0.00677  -1.17073
   D60        1.88773   0.00017   0.00709   0.00020   0.00746   1.89519
   D61        2.40568   0.00003  -0.01511  -0.00037  -0.01568   2.39000
   D62       -1.10415  -0.00002  -0.00446  -0.00160  -0.00609  -1.11024
   D63        0.06288   0.00006   0.00068   0.00028   0.00117   0.06406
   D64        2.83623   0.00001   0.01133  -0.00095   0.01076   2.84699
   D65        2.36881   0.00003   0.00822   0.00157   0.01004   2.37885
   D66        1.79437   0.00009   0.01222   0.00207   0.01442   1.80878
   D67       -1.91392   0.00002   0.00538   0.00204   0.00767  -1.90625
   D68       -2.48836   0.00008   0.00937   0.00254   0.01204  -2.47632
   D69        3.09115   0.00003   0.00299  -0.00042   0.00270   3.09385
   D70        0.02841   0.00003   0.00172   0.00034   0.00207   0.03047
   D71       -0.04927  -0.00001  -0.00022   0.00010  -0.00013  -0.04940
   D72        3.13275  -0.00000   0.00049  -0.00089  -0.00041   3.13234
   D73        3.00895  -0.00000  -0.00024   0.00040   0.00019   3.00914
   D74       -0.09221   0.00000   0.00047  -0.00058  -0.00009  -0.09230
   D75        0.05570   0.00001   0.00216  -0.00123   0.00092   0.05661
   D76       -3.10897   0.00003   0.00259  -0.00162   0.00096  -3.10801
   D77       -3.12658   0.00000   0.00146  -0.00025   0.00120  -3.12538
   D78       -0.00806   0.00002   0.00189  -0.00065   0.00124  -0.00682
   D79        2.48548  -0.00004  -0.00205  -0.00019  -0.00224   2.48324
   D80       -0.65697  -0.00005  -0.00218  -0.00021  -0.00238  -0.65935
   D81       -0.61411  -0.00004  -0.00132  -0.00121  -0.00254  -0.61665
   D82        2.52662  -0.00005  -0.00144  -0.00123  -0.00267   2.52395
   D83        0.01684   0.00000  -0.00140   0.00089  -0.00051   0.01633
   D84       -3.09596  -0.00001  -0.00116  -0.00050  -0.00163  -3.09759
   D85       -3.10188  -0.00001  -0.00183   0.00129  -0.00055  -3.10243
   D86        0.06851  -0.00003  -0.00159  -0.00010  -0.00168   0.06683
   D87       -0.04924  -0.00001   0.00022   0.00100   0.00134  -0.04790
   D88        3.13880  -0.00004  -0.00044   0.00005  -0.00027   3.13853
   D89       -2.81690   0.00006  -0.01023   0.00212  -0.00823  -2.82513
   D90        0.37114   0.00003  -0.01089   0.00117  -0.00984   0.36130
   D91       -0.95774   0.00009   0.00643   0.00131   0.00763  -0.95011
   D92        2.23030   0.00006   0.00577   0.00037   0.00602   2.23632
   D93        0.16081   0.00010  -0.00927   0.00139  -0.00798   0.15283
   D94       -2.10804   0.00002  -0.00685   0.00012  -0.00716  -2.11519
   D95        2.34120   0.00010  -0.00727   0.00172  -0.00570   2.33550
   D96        2.93353   0.00008   0.00141   0.00021   0.00159   2.93512
   D97        0.66468  -0.00001   0.00383  -0.00105   0.00242   0.66710
   D98       -1.16926   0.00008   0.00342   0.00054   0.00387  -1.16539
   D99        0.79436  -0.00006  -0.01355  -0.00019  -0.01393   0.78043
   D100      -1.47449  -0.00014  -0.01112  -0.00146  -0.01311  -1.48759
   D101       2.97475  -0.00006  -0.01154   0.00014  -0.01165   2.96310
   D102      -1.15700   0.00007  -0.00021   0.00134   0.00109  -1.15592
   D103      -1.73298   0.00008   0.00201   0.00159   0.00344  -1.72953
   D104       0.99599   0.00006   0.00912   0.00061   0.00966   1.00565
   D105       0.42002   0.00006   0.01134   0.00085   0.01201   0.43203
   D106       0.02078  -0.00005  -0.00087  -0.00179  -0.00271   0.01806
   D107      -3.10785  -0.00003  -0.00061  -0.00113  -0.00176  -3.10961
   D108       3.11858  -0.00003  -0.00020  -0.00092  -0.00118   3.11740
   D109      -0.01005  -0.00001   0.00006  -0.00027  -0.00023  -0.01028
   D110       3.11091   0.00003   0.00061   0.00097   0.00161   3.11252
   D111      -0.02721   0.00001   0.00032   0.00064   0.00097  -0.02624
   D112       0.01511   0.00000  -0.00006   0.00005   0.00000   0.01512
   D113      -3.12301  -0.00001  -0.00035  -0.00029  -0.00064  -3.12365
   D114      -0.01014   0.00003  -0.00009   0.00111   0.00100  -0.00914
   D115       3.11893   0.00001  -0.00034   0.00048   0.00008   3.11901
   D116      -0.00192   0.00000   0.00011   0.00016   0.00027  -0.00165
   D117       3.11329   0.00000   0.00022  -0.00016   0.00006   3.11335
   D118      -3.13128   0.00003   0.00035   0.00077   0.00117  -3.13011
   D119      -0.01606   0.00003   0.00046   0.00046   0.00096  -0.01510
   D120      -0.00850   0.00001  -0.00011   0.00030   0.00019  -0.00832
   D121       3.11156   0.00000   0.00016  -0.00016  -0.00001   3.11155
   D122       3.12970   0.00002   0.00018   0.00063   0.00082   3.13052
   D123      -0.03343   0.00002   0.00045   0.00017   0.00062  -0.03280
   D124      -0.00362  -0.00001   0.00026  -0.00040  -0.00015  -0.00377
   D125      -3.14113  -0.00001   0.00047  -0.00052  -0.00006  -3.14118
   D126      -3.12340  -0.00001  -0.00000   0.00006   0.00005  -3.12334
   D127       0.02229  -0.00001   0.00021  -0.00007   0.00014   0.02243
   D128       0.00875   0.00001  -0.00026   0.00017  -0.00008   0.00867
   D129      -3.10512   0.00000  -0.00036   0.00049   0.00015  -3.10497
   D130      -3.13693   0.00001  -0.00047   0.00030  -0.00017  -3.13710
   D131       0.03238   0.00001  -0.00057   0.00062   0.00006   0.03244
   D132       0.61372   0.00002  -0.00159   0.00085  -0.00074   0.61297
   D133      -2.52917   0.00003  -0.00166   0.00105  -0.00062  -2.52979
   D134      -2.52359   0.00002  -0.00137   0.00072  -0.00065  -2.52424
   D135       0.61671   0.00003  -0.00144   0.00091  -0.00053   0.61618
   D136      -3.13202  -0.00000  -0.00003   0.00002  -0.00001  -3.13203
   D137      -0.03613  -0.00000   0.00038  -0.00018   0.00019  -0.03594
   D138       0.00955   0.00001   0.00002   0.00008   0.00010   0.00965
   D139       3.10544   0.00001   0.00042  -0.00012   0.00030   3.10574
   D140      -3.13507  -0.00000   0.00000  -0.00007  -0.00007  -3.13515
   D141      -0.03839  -0.00001   0.00011  -0.00020  -0.00009  -0.03848
   D142       0.00654  -0.00001  -0.00004  -0.00013  -0.00018   0.00636
   D143       3.10322  -0.00001   0.00006  -0.00025  -0.00020   3.10302
   D144      -3.13306  -0.00001   0.00046  -0.00070  -0.00024  -3.13330
   D145      -0.03696  -0.00002   0.00164  -0.00156   0.00008  -0.03688
   D146       0.00936  -0.00000   0.00058  -0.00068  -0.00011   0.00926
   D147       3.10546  -0.00001   0.00176  -0.00155   0.00022   3.10568
   D148      -3.13377   0.00001  -0.00041   0.00056   0.00015  -3.13362
   D149      -0.03908   0.00000   0.00028  -0.00018   0.00010  -0.03899
   D150       0.00699   0.00000  -0.00053   0.00055   0.00002   0.00701
   D151       3.10168  -0.00001   0.00016  -0.00019  -0.00004   3.10164
   D152       3.13294   0.00001  -0.00002   0.00021   0.00019   3.13313
   D153       0.03583   0.00001  -0.00058   0.00080   0.00022   0.03605
   D154      -0.00740  -0.00000   0.00005   0.00003   0.00007  -0.00732
   D155      -3.10451   0.00000  -0.00051   0.00062   0.00010  -3.10440
   D156       3.13666  -0.00001   0.00025  -0.00035  -0.00010   3.13656
   D157       0.03614  -0.00000  -0.00023   0.00019  -0.00004   0.03610
   D158      -0.00619   0.00000   0.00019  -0.00017   0.00002  -0.00617
   D159      -3.10670   0.00001  -0.00030   0.00038   0.00008  -3.10663
   D160      -0.01670   0.00000  -0.00010   0.00024   0.00015  -0.01656
   D161       3.10200   0.00000   0.00011   0.00003   0.00014   3.10214
   D162      -3.11301   0.00001  -0.00129   0.00111  -0.00018  -3.11319
   D163       0.00570   0.00001  -0.00109   0.00089  -0.00019   0.00550
   D164       0.00755  -0.00000  -0.00045   0.00035  -0.00010   0.00745
   D165      -3.13394  -0.00000  -0.00038   0.00033  -0.00005  -3.13399
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   D167       0.03033   0.00000  -0.00058   0.00054  -0.00004   0.03029
   D168       0.00856  -0.00000   0.00049  -0.00048   0.00001   0.00857
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   D170      -3.13314  -0.00000   0.00043  -0.00046  -0.00003  -3.13317
   D171       0.03193   0.00000  -0.00001   0.00003   0.00003   0.03196
   D172       0.94824  -0.00007   0.00079  -0.00122  -0.00043   0.94781
   D173      -2.19195  -0.00007   0.00038  -0.00117  -0.00079  -2.19274
   D174      -2.19324  -0.00007   0.00085  -0.00124  -0.00039  -2.19363
   D175       0.94975  -0.00007   0.00044  -0.00119  -0.00075   0.94900
   D176      -0.01599   0.00000   0.00000   0.00003   0.00003  -0.01596
   D177      -3.11080   0.00001  -0.00071   0.00078   0.00008  -3.11072
   D178       3.10191  -0.00000   0.00044  -0.00047  -0.00003   3.10189
   D179       0.00711   0.00001  -0.00027   0.00029   0.00002   0.00713
   D180      -0.01681   0.00000   0.00005   0.00006   0.00011  -0.01670
   D181       3.10224  -0.00000   0.00075  -0.00040   0.00035   3.10259
   D182      -3.11284   0.00000  -0.00036   0.00027  -0.00009  -3.11293
   D183       0.00621  -0.00000   0.00034  -0.00019   0.00015   0.00636
   D184       0.00782  -0.00001  -0.00009  -0.00015  -0.00024   0.00758
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   D186      -3.11144  -0.00000  -0.00078   0.00031  -0.00047  -3.11191
   D187       0.03070  -0.00000  -0.00063   0.00024  -0.00039   0.03031
   D188       0.00802   0.00001   0.00006   0.00010   0.00016   0.00819
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   D191       0.03002   0.00001  -0.00067   0.00056  -0.00011   0.02991
   D192      -2.18602  -0.00009   0.00440  -0.00219   0.00221  -2.18382
   D193       0.95803  -0.00009   0.00454  -0.00218   0.00236   0.96039
   D194       0.95612  -0.00009   0.00456  -0.00227   0.00229   0.95841
   D195      -2.18301  -0.00009   0.00470  -0.00226   0.00244  -2.18057
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   D198       3.10349  -0.00000   0.00059  -0.00035   0.00023   3.10372
   D199       0.00664  -0.00000   0.00048  -0.00023   0.00025   0.00689
   D200       0.01397   0.00000  -0.00024   0.00018  -0.00006   0.01391
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   D203      -0.00751   0.00000   0.00002  -0.00019  -0.00017  -0.00767
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   D206       3.11219  -0.00001   0.00050  -0.00047   0.00003   3.11222
   D207      -0.02918  -0.00001   0.00063  -0.00053   0.00011  -0.02908
   D208      -0.00655   0.00000   0.00002   0.00012   0.00014  -0.00641
   D209       3.11304  -0.00001   0.00049  -0.00023   0.00026   3.11330
   D210       3.13483   0.00001  -0.00011   0.00017   0.00006   3.13489
   D211      -0.02877  -0.00000   0.00036  -0.00018   0.00018  -0.02859
   D212       2.17725   0.00008  -0.00470   0.00220  -0.00250   2.17475
   D213      -0.96484   0.00008  -0.00510   0.00216  -0.00294  -0.96778
   D214      -0.96412   0.00008  -0.00457   0.00215  -0.00242  -0.96654
   D215       2.17697   0.00008  -0.00497   0.00211  -0.00286   2.17411
   D216       0.01320  -0.00000  -0.00022   0.00009  -0.00013   0.01307
   D217       3.11385  -0.00001   0.00028  -0.00045  -0.00018   3.11367
   D218      -3.10619   0.00001  -0.00070   0.00045  -0.00025  -3.10644
   D219      -0.00554  -0.00000  -0.00020  -0.00010  -0.00030  -0.00584
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   D221       0.03223   0.00002  -0.00104   0.00072  -0.00033   0.03191
   D222      -0.00086   0.00000   0.00002   0.00001   0.00003  -0.00082
   D223      -3.11146   0.00002  -0.00117   0.00071  -0.00046  -3.11192
   D224       3.13869  -0.00000  -0.00023   0.00008  -0.00015   3.13854
   D225       0.02781   0.00002  -0.00154   0.00084  -0.00070   0.02711
   D226      -0.00080  -0.00000  -0.00011   0.00009  -0.00002  -0.00082
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   D228      -3.14092   0.00000  -0.00032   0.00004  -0.00028  -3.14120
   D229       0.03350   0.00001  -0.00046   0.00007  -0.00039   0.03311
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   D232       3.13926   0.00000   0.00016   0.00013   0.00028   3.13955
   D233       0.03011   0.00000   0.00006   0.00010   0.00017   0.03028
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   D237      -0.02975  -0.00002   0.00065  -0.00048   0.00018  -0.02958
   D238       0.00083  -0.00000   0.00013  -0.00001   0.00012   0.00094
   D239       3.11227  -0.00002   0.00100  -0.00044   0.00056   3.11282
   D240      -3.14033  -0.00000   0.00031  -0.00011   0.00020  -3.14014
   D241      -0.02832  -0.00002   0.00142  -0.00075   0.00067  -0.02765
   D242       0.00083  -0.00000  -0.00003  -0.00015  -0.00018   0.00065
   D243       3.11284  -0.00003   0.00108  -0.00079   0.00029   3.11313
   D244       0.00193  -0.00000   0.00015  -0.00016  -0.00002   0.00191
   D245      -3.13152   0.00003  -0.00067   0.00068   0.00001  -3.13152
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   D247      -0.01968   0.00002  -0.00055   0.00066   0.00011  -0.01958
   D248       3.12325  -0.00002   0.00042  -0.00038   0.00003   3.12328
   D249      -0.01139  -0.00001  -0.00003   0.00007   0.00004  -0.01136
   D250       0.01811  -0.00001   0.00027  -0.00036  -0.00009   0.01802
   D251      -3.11654  -0.00000  -0.00018   0.00009  -0.00009  -3.11662
   D252      -0.00257   0.00000  -0.00026   0.00027   0.00000  -0.00257
   D253       3.12988  -0.00003   0.00075  -0.00080  -0.00005   3.12983
   D254       3.12924  -0.00003   0.00072  -0.00074  -0.00003   3.12921
   D255      -0.02149  -0.00006   0.00173  -0.00181  -0.00008  -0.02157
   D256       0.00709  -0.00002   0.00055  -0.00060  -0.00005   0.00704
   D257      -3.14055  -0.00000   0.00019  -0.00015   0.00003  -3.14051
   D258      -3.12375   0.00002  -0.00053   0.00051  -0.00002  -3.12377
   D259       0.01180   0.00003  -0.00089   0.00096   0.00007   0.01187
   D260       0.00230  -0.00000   0.00028  -0.00027   0.00001   0.00231
   D261       3.11450  -0.00001   0.00037  -0.00024   0.00012   3.11462
   D262      -3.13169   0.00002  -0.00056   0.00062   0.00005  -3.13163
   D263      -0.01949   0.00002  -0.00048   0.00065   0.00016  -0.01933
   D264      -3.12458   0.00002  -0.00058   0.00057  -0.00001  -3.12459
   D265       0.01126   0.00003  -0.00105   0.00108   0.00003   0.01129
   D266       0.00696  -0.00002   0.00054  -0.00060  -0.00006   0.00690
   D267      -3.14038  -0.00001   0.00007  -0.00009  -0.00002  -3.14041
   D268       3.12361  -0.00002   0.00031  -0.00031  -0.00001   3.12360
   D269      -0.01155  -0.00001  -0.00019   0.00003  -0.00017  -0.01171
   D270       0.01803  -0.00001   0.00021  -0.00034  -0.00014   0.01789
   D271      -3.11712  -0.00001  -0.00029  -0.00000  -0.00030  -3.11742
   D272       0.00212  -0.00001   0.00007  -0.00010  -0.00003   0.00209
   D273      -3.13164   0.00002  -0.00087   0.00065  -0.00023  -3.13187
   D274       3.11562  -0.00002   0.00115  -0.00073   0.00042   3.11604
   D275      -0.01814   0.00000   0.00020   0.00002   0.00022  -0.01792
   D276       3.12397  -0.00002   0.00087  -0.00057   0.00030   3.12426
   D277      -0.01084  -0.00001   0.00031  -0.00009   0.00022  -0.01063
   D278       0.01678   0.00000  -0.00045   0.00020  -0.00025   0.01653
   D279      -3.11803   0.00001  -0.00101   0.00068  -0.00033  -3.11836
   D280      -0.00256   0.00000  -0.00014   0.00016   0.00002  -0.00254
   D281       3.12957  -0.00002   0.00122  -0.00083   0.00039   3.12996
   D282       3.12962  -0.00002   0.00100  -0.00074   0.00025   3.12987
   D283      -0.02143  -0.00005   0.00235  -0.00173   0.00062  -0.02081
   D284       0.00642  -0.00001   0.00028  -0.00033  -0.00005   0.00637
   D285      -3.14096   0.00000  -0.00002   0.00011   0.00009  -3.14087
   D286      -3.12482   0.00002  -0.00096   0.00066  -0.00030  -3.12512
   D287       0.01099   0.00003  -0.00127   0.00110  -0.00016   0.01082
   D288       0.00209  -0.00000   0.00015  -0.00015   0.00000   0.00209
   D289       3.11584  -0.00002   0.00133  -0.00083   0.00050   3.11634
   D290      -3.13164   0.00002  -0.00098   0.00067  -0.00030  -3.13194
   D291      -0.01788   0.00000   0.00020  -0.00000   0.00019  -0.01769
   D292      -3.12479   0.00002  -0.00125   0.00081  -0.00043  -3.12522
   D293       0.01142   0.00003  -0.00142   0.00106  -0.00037   0.01105
   D294       0.00641  -0.00001   0.00025  -0.00027  -0.00003   0.00638
   D295      -3.14057  -0.00000   0.00007  -0.00003   0.00004  -3.14053
   D296       3.12400  -0.00002   0.00103  -0.00065   0.00038   3.12438
   D297      -0.01197  -0.00001   0.00044  -0.00005   0.00039  -0.01158
   D298       0.01650   0.00000  -0.00041   0.00018  -0.00023   0.01628
   D299      -3.11947   0.00002  -0.00100   0.00079  -0.00021  -3.11968
   D300      -0.00211   0.00000  -0.00017   0.00016  -0.00001  -0.00212
   D301       3.13172  -0.00002   0.00072  -0.00052   0.00019   3.13191
   D302      -3.11635   0.00002  -0.00096   0.00055  -0.00041  -3.11677
   D303       0.01747  -0.00001  -0.00007  -0.00014  -0.00021   0.01727
   D304      -3.12422   0.00002  -0.00067   0.00037  -0.00030  -3.12452
   D305       0.01173   0.00000  -0.00014  -0.00008  -0.00022   0.01151
   D306      -0.01611  -0.00000   0.00030  -0.00011   0.00019  -0.01592
   D307       3.11984  -0.00001   0.00082  -0.00055   0.00027   3.12011
   D308       0.00257  -0.00001   0.00015  -0.00025  -0.00010   0.00247
   D309      -3.13030   0.00003  -0.00116   0.00087  -0.00029  -3.13059
   D310      -3.12969   0.00002  -0.00092   0.00057  -0.00034  -3.13003
   D311       0.02063   0.00005  -0.00222   0.00169  -0.00053   0.02010
   D312      -0.00629   0.00001  -0.00030   0.00039   0.00008  -0.00621
   D313       3.14084  -0.00000  -0.00002  -0.00008  -0.00010   3.14074
   D314       3.12503  -0.00002   0.00087  -0.00052   0.00035   3.12538
   D315      -0.01102  -0.00003   0.00115  -0.00098   0.00017  -0.01085
   D316      -0.00211   0.00001  -0.00007   0.00024   0.00017  -0.00194
   D317      -3.11688   0.00002  -0.00108   0.00081  -0.00026  -3.11714
   D318       3.13223  -0.00002   0.00101  -0.00069   0.00033   3.13256
   D319       0.01746  -0.00000   0.00001  -0.00012  -0.00010   0.01736
   D320       3.12570  -0.00003   0.00109  -0.00087   0.00021   3.12591
   D321      -0.01041  -0.00004   0.00136  -0.00121   0.00015  -0.01025
   D322      -0.00630   0.00001  -0.00035   0.00035   0.00000  -0.00630
   D323       3.14078   0.00000  -0.00008   0.00002  -0.00006   3.14072
   D324      -3.12482   0.00002  -0.00097   0.00059  -0.00038  -3.12520
   D325       0.01091   0.00001  -0.00058   0.00020  -0.00038   0.01053
   D326      -0.01607  -0.00000   0.00026  -0.00011   0.00014  -0.01592
   D327       3.11966  -0.00001   0.00065  -0.00051   0.00015   3.11981
   D328       0.00613   0.00000  -0.00034   0.00028  -0.00006   0.00607
   D329      -3.13971  -0.00001   0.00016  -0.00023  -0.00007  -3.13978
   D330      -3.12971  -0.00001   0.00013  -0.00022  -0.00009  -3.12980
   D331       0.00764  -0.00002   0.00063  -0.00074  -0.00011   0.00753
   D332      -0.00744   0.00000   0.00007   0.00001   0.00008  -0.00736
   D333       3.13094   0.00001  -0.00015   0.00015   0.00000   3.13095
   D334       3.13838   0.00001  -0.00043   0.00053   0.00010   3.13848
   D335      -0.00641   0.00002  -0.00065   0.00067   0.00002  -0.00640
   D336      -0.00462   0.00000   0.00000   0.00001   0.00001  -0.00461
   D337       3.13056  -0.00000   0.00050  -0.00033   0.00017   3.13073
   D338       3.14016  -0.00000   0.00022  -0.00012   0.00009   3.14026
   D339      -0.00784  -0.00000   0.00071  -0.00046   0.00025  -0.00759
   D340      -0.00451  -0.00000   0.00001   0.00001   0.00001  -0.00450
   D341       3.14065   0.00000   0.00023  -0.00010   0.00013   3.14079
   D342       3.13015  -0.00001   0.00045  -0.00044   0.00001   3.13016
   D343      -0.00786  -0.00001   0.00067  -0.00054   0.00013  -0.00773
   D344      -0.00761   0.00000   0.00000   0.00004   0.00004  -0.00757
   D345       3.13872   0.00001  -0.00043   0.00049   0.00006   3.13878
   D346       3.13039   0.00000  -0.00022   0.00014  -0.00008   3.13031
   D347      -0.00647   0.00001  -0.00065   0.00059  -0.00006  -0.00652
   D348       0.00617   0.00001  -0.00028   0.00026  -0.00002   0.00615
   D349      -3.12937  -0.00001   0.00008  -0.00018  -0.00010  -3.12947
   D350      -3.14017  -0.00000   0.00015  -0.00019  -0.00004  -3.14021
   D351       0.00748  -0.00002   0.00050  -0.00063  -0.00013   0.00735
   D352       0.00562   0.00001  -0.00047   0.00037  -0.00009   0.00552
   D353      -3.14002  -0.00000  -0.00003  -0.00011  -0.00015  -3.14017
   D354      -3.13058   0.00000  -0.00029   0.00013  -0.00016  -3.13074
   D355       0.00696  -0.00001   0.00014  -0.00035  -0.00021   0.00675
   D356      -0.00687  -0.00000   0.00025  -0.00019   0.00006  -0.00681
   D357       3.13158  -0.00000   0.00005  -0.00001   0.00004   3.13162
   D358       3.13876   0.00001  -0.00018   0.00029   0.00011   3.13887
   D359      -0.00598   0.00001  -0.00039   0.00048   0.00009  -0.00588
   D360      -0.00418  -0.00000   0.00019  -0.00009   0.00010  -0.00408
   D361       3.13181  -0.00002   0.00078  -0.00069   0.00009   3.13190
   D362       3.14055  -0.00000   0.00039  -0.00028   0.00012   3.14066
   D363      -0.00665  -0.00002   0.00098  -0.00087   0.00011  -0.00655
   D364      -0.00423  -0.00000   0.00023  -0.00012   0.00010  -0.00413
   D365       3.14096  -0.00000   0.00036  -0.00026   0.00011   3.14106
   D366       3.13060  -0.00001   0.00079  -0.00060   0.00019   3.13078
   D367      -0.00740  -0.00001   0.00092  -0.00073   0.00019  -0.00721
   D368      -0.00706  -0.00000   0.00025  -0.00019   0.00007  -0.00699
   D369       3.13891   0.00001  -0.00024   0.00035   0.00012   3.13902
   D370       3.13093  -0.00000   0.00012  -0.00005   0.00006   3.13099
   D371      -0.00629   0.00001  -0.00037   0.00049   0.00011  -0.00618
   D372       0.00582   0.00001  -0.00051   0.00041  -0.00009   0.00573
   D373      -3.12998  -0.00000  -0.00021  -0.00003  -0.00023  -3.13021
   D374      -3.14015  -0.00000  -0.00002  -0.00013  -0.00015  -3.14030
   D375       0.00723  -0.00002   0.00029  -0.00057  -0.00029   0.00695
   D376      -0.00544  -0.00001   0.00042  -0.00037   0.00005  -0.00539
   D377       3.14017   0.00000   0.00001   0.00011   0.00013   3.14030
   D378       3.13066  -0.00000   0.00015  -0.00004   0.00011   3.13077
   D379      -0.00692   0.00001  -0.00026   0.00045   0.00019  -0.00673
   D380       0.00671   0.00000  -0.00015   0.00015  -0.00000   0.00670
   D381      -3.13162   0.00000   0.00002  -0.00003  -0.00001  -3.13163
   D382      -3.13889  -0.00001   0.00026  -0.00034  -0.00008  -3.13897
   D383       0.00597  -0.00001   0.00043  -0.00051  -0.00009   0.00589
   D384       0.00403   0.00000  -0.00019   0.00010  -0.00009   0.00394
   D385      -3.13171   0.00001  -0.00059   0.00049  -0.00009  -3.13180
   D386      -3.14082   0.00000  -0.00036   0.00027  -0.00009  -3.14090
   D387       0.00663   0.00001  -0.00076   0.00067  -0.00009   0.00654
   D388       0.00408   0.00000  -0.00016   0.00011  -0.00005   0.00403
   D389      -3.14059   0.00000  -0.00034   0.00023  -0.00011  -3.14070
   D390      -3.13188   0.00001  -0.00068   0.00055  -0.00013  -3.13201
   D391       0.00663   0.00001  -0.00086   0.00067  -0.00019   0.00644
   D392       0.00667   0.00000  -0.00021   0.00014  -0.00007   0.00660
   D393      -3.13878  -0.00001   0.00023  -0.00036  -0.00013  -3.13891
   D394      -3.13183   0.00000  -0.00003   0.00002  -0.00001  -3.13184
   D395       0.00590  -0.00001   0.00041  -0.00048  -0.00007   0.00583
   D396      -0.00543  -0.00001   0.00044  -0.00039   0.00005  -0.00538
   D397       3.13061   0.00000   0.00016   0.00007   0.00023   3.13084
   D398       3.14003   0.00000  -0.00000   0.00011   0.00011   3.14014
   D399      -0.00711   0.00002  -0.00028   0.00058   0.00029  -0.00682
   D400       1.69198   0.00007  -0.02136   0.00052  -0.02136   1.67062
   D401      -0.57278  -0.00002  -0.01877  -0.00049  -0.01983  -0.59262
   D402      -2.79582  -0.00004  -0.01838  -0.00021  -0.01890  -2.81473
   D403      -3.08520  -0.00009   0.00006  -0.00140  -0.00100  -3.08620
   D404      -0.91186  -0.00004   0.00053  -0.00114  -0.00065  -0.91251
   D405       1.30925   0.00002  -0.00115  -0.00117  -0.00263   1.30662
   D406       2.64616   0.00006   0.02203   0.00184   0.02332   2.66948
   D407      -1.52643   0.00007   0.02215   0.00136   0.02259  -1.50384
   D408       0.51897   0.00007   0.02316   0.00153   0.02407   0.54303
   D409       3.00400  -0.00001   0.00517  -0.00058   0.00459   3.00859
   D410      -1.16975   0.00000   0.00513  -0.00055   0.00458  -1.16517
   D411       0.88749   0.00000   0.00528  -0.00067   0.00462   0.89211
   D412       3.10840   0.00002   0.00221  -0.00057   0.00164   3.11004
   D413      -1.08836   0.00002   0.00240  -0.00067   0.00173  -1.08662
   D414       1.02264   0.00004   0.00169  -0.00022   0.00148   1.02411
   D415       1.04821  -0.00000   0.00123  -0.00021   0.00119   1.04940
   D416       3.13464  -0.00001   0.00142  -0.00031   0.00128   3.13591
   D417      -1.03756   0.00001   0.00071   0.00015   0.00102  -1.03654
   D418      -1.08894  -0.00003   0.00103   0.00029   0.00116  -1.08778
   D419       0.99749  -0.00004   0.00122   0.00019   0.00125   0.99874
   D420       3.10848  -0.00001   0.00051   0.00064   0.00099   3.10947
   D421       1.28404  -0.00001   0.00322   0.00021   0.00319   1.28723
   D422      -2.93850   0.00005   0.00259   0.00059   0.00299  -2.93551
   D423      -0.76303   0.00005   0.00248  -0.00015   0.00230  -0.76073
   D424      -1.37398  -0.00006  -0.00515   0.00001  -0.00503  -1.37901
   D425       2.83371  -0.00007  -0.00331  -0.00107  -0.00446   2.82924
   D426       0.66124  -0.00008  -0.00336  -0.00020  -0.00350   0.65773
   D427       1.04661   0.00000  -0.00036   0.00066   0.00030   1.04691
   D428       3.13618   0.00001  -0.00046   0.00081   0.00035   3.13653
   D429      -1.05848   0.00000  -0.00036   0.00070   0.00034  -1.05814
   D430      -1.02758   0.00000  -0.00063   0.00088   0.00025  -1.02733
   D431       1.06199   0.00001  -0.00073   0.00103   0.00030   1.06229
   D432      -3.13267   0.00001  -0.00063   0.00092   0.00029  -3.13238
   D433       3.12692  -0.00000  -0.00041   0.00063   0.00022   3.12713
   D434      -1.06669   0.00000  -0.00051   0.00077   0.00026  -1.06643
   D435       1.02183  -0.00000  -0.00041   0.00066   0.00026   1.02208
   D436      -1.29030  -0.00008  -0.01683  -0.00223  -0.01893  -1.30923
   D437      -1.20839  -0.00005  -0.01285  -0.00103  -0.01392  -1.22230
   D438       0.42112  -0.00002  -0.00196  -0.00002  -0.00156   0.41956
   D439       1.15887  -0.00014  -0.01720  -0.00269  -0.02012   1.13875
   D440       0.95938  -0.00006  -0.01308  -0.00135  -0.01466   0.94472
   D441      -0.40153   0.00006   0.00215   0.00009   0.00204  -0.39950
         Item               Value     Threshold  Converged?
 Maximum Force            0.000582     0.000450     NO 
 RMS     Force            0.000061     0.000300     YES
 Maximum Displacement     0.082134     0.001800     NO 
 RMS     Displacement     0.017007     0.001200     NO 
 Predicted change in Energy=-1.951149D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.827186    2.897374    0.540905
      2          6           0       -2.062733    1.522706    0.667972
      3          6           0       -1.015860    0.593301    0.703551
      4          6           0        0.311340    1.066262    0.647423
      5          6           0        0.556038    2.436233    0.488505
      6          6           0       -0.494819    3.339134    0.432881
      7          6           0       -1.235762   -0.866503    0.690467
      8          6           0       -0.168318   -1.745895    1.000986
      9          6           0        1.121554   -1.163731    1.506963
     10          6           0        1.435782    0.128597    0.801278
     11          6           0       -2.441435   -1.403593    0.225553
     12          6           0       -2.622628   -2.777489    0.021361
     13          6           0       -1.522238   -3.618370    0.242314
     14          6           0       -0.319849   -3.107159    0.713019
     15          7           0        2.228201   -2.054454    1.668328
     16          6           0        3.524748   -1.642189    1.240019
     17          6           0        3.673701   -0.384251    0.612175
     18          7           0        2.611664    0.480138    0.412064
     19          6           0        4.669084   -2.446839    1.361481
     20          6           0        5.902350   -2.008744    0.896174
     21          6           0        6.067990   -0.756068    0.277281
     22          6           0        4.928000    0.034464    0.144953
     23          6           0       -2.953453    3.862943    0.521382
     24          6           0       -3.918848   -3.310146   -0.461332
     25          6           0        7.390604   -0.301849   -0.215038
     26          6           0       -3.974927   -4.380834   -1.369910
     27          6           0       -5.191200   -4.874561   -1.830605
     28          6           0       -6.394828   -4.319784   -1.376755
     29          6           0       -6.356198   -3.258994   -0.462945
     30          6           0       -5.134801   -2.759076   -0.022239
     31          6           0       -2.844108    5.113916    1.152257
     32          6           0       -3.900132    6.019982    1.147719
     33          6           0       -5.095947    5.704968    0.490153
     34          6           0       -5.217045    4.466478   -0.152437
     35          6           0       -4.162548    3.558936   -0.126748
     36          6           0        8.312311   -1.208837   -0.765242
     37          6           0        9.550701   -0.784886   -1.237517
     38          6           0        9.910591    0.566001   -1.156656
     39          6           0        9.006697    1.481603   -0.603623
     40          6           0        7.764287    1.051219   -0.148372
     41          7           0       -6.172085    6.629898    0.474355
     42          7           0       -7.637105   -4.826432   -1.837020
     43          7           0       11.175969    1.001866   -1.629819
     44          6           0       -8.049353   -6.164129   -1.779027
     45          6           0       -9.348585   -6.270063   -2.337359
     46          6           0       -9.737485   -4.938601   -2.753228
     47          6           0       -8.660873   -4.074757   -2.428306
     48          6           0       -7.481893    6.370544    0.896846
     49          6           0       -8.262150    7.542081    0.723601
     50          6           0       -7.385479    8.552712    0.169464
     51          6           0       -6.106053    7.956707    0.030894
     52          6           0       11.393507    2.007170   -2.580001
     53          6           0       12.789143    2.150889   -2.787401
     54          6           0       13.443350    1.191715   -1.921991
     55          6           0       12.419193    0.500719   -1.225322
     56          6           0      -10.879798   -4.415224   -3.369849
     57          6           0      -10.931258   -3.055003   -3.659334
     58          6           0       -9.848898   -2.216029   -3.344619
     59          6           0       -8.700872   -2.710681   -2.729621
     60          6           0       -7.389126   -7.274656   -1.246195
     61          6           0       -8.042023   -8.504181   -1.299910
     62          6           0       -9.322804   -8.630007   -1.863976
     63          6           0       -9.981259   -7.517829   -2.379941
     64          6           0       -7.572245    9.883307   -0.222701
     65          6           0       -6.496772   10.592591   -0.748945
     66          6           0       -5.239375    9.981877   -0.892513
     67          6           0       -5.025631    8.659746   -0.509028
     68          6           0       -8.023242    5.205080    1.446173
     69          6           0       -9.369659    5.221812    1.803451
     70          6           0      -10.161079    6.369205    1.625168
     71          6           0       -9.613004    7.531038    1.089971
     72          6           0       14.782990    0.870067   -1.674795
     73          6           0       15.082284   -0.118683   -0.742290
     74          6           0       14.055316   -0.783441   -0.050801
     75          6           0       12.713945   -0.484057   -0.278474
     76          6           0       10.464981    2.772954   -3.290324
     77          6           0       10.955936    3.704031   -4.202849
     78          6           0       12.335888    3.869494   -4.410740
     79          6           0       13.255302    3.095041   -3.709664
     80          8           0        0.735710   -3.525667    3.433311
     81         15           0        2.077455   -3.349250    2.848942
     82          8           0        3.277268   -3.131356    3.890795
     83          8           0        2.635159   -4.569694    1.957958
     84          6           0        3.067814   -2.405770    5.145535
     85          6           0        4.079774   -2.922640    6.147611
     86          6           0        2.625866   -5.907049    2.538500
     87          6           0        3.014005   -6.887017    1.449846
     88          1           0       -3.085054    1.178970    0.778609
     89          1           0        1.584461    2.772444    0.422955
     90          1           0       -0.288295    4.396338    0.300006
     91          1           0       -3.241204   -0.730282   -0.059819
     92          1           0       -1.610103   -4.685324    0.065844
     93          1           0        0.512834   -3.785494    0.828960
     94          1           0        4.610271   -3.422567    1.816875
     95          1           0        6.763168   -2.654526    1.038227
     96          1           0        4.960597    0.999007   -0.349884
     97          1           0       -3.053150   -4.806442   -1.753871
     98          1           0       -5.215763   -5.677476   -2.559749
     99          1           0       -7.285584   -2.845800   -0.085557
    100          1           0       -5.124054   -1.955952    0.708060
    101          1           0       -1.934710    5.363795    1.689651
    102          1           0       -3.812248    6.966701    1.670205
    103          1           0       -6.131027    4.230268   -0.687084
    104          1           0       -4.264293    2.615286   -0.653706
    105          1           0        8.040985   -2.255415   -0.863129
    106          1           0       10.236586   -1.493247   -1.690190
    107          1           0        9.291508    2.524718   -0.514675
    108          1           0        7.087578    1.771198    0.301082
    109          1           0      -11.712820   -5.064542   -3.623619
    110          1           0      -11.812564   -2.637086   -4.135932
    111          1           0       -9.904113   -1.158959   -3.587510
    112          1           0       -7.866110   -2.058174   -2.499263
    113          1           0       -6.405178   -7.184457   -0.799671
    114          1           0       -7.548857   -9.382036   -0.892936
    115          1           0       -9.802829   -9.603303   -1.892533
    116          1           0      -10.975971   -7.614618   -2.805528
    117          1           0       -8.546124   10.353781   -0.121719
    118          1           0       -6.629110   11.625623   -1.055368
    119          1           0       -4.414863   10.549346   -1.313972
    120          1           0       -4.054606    8.192982   -0.631348
    121          1           0       -7.416728    4.318853    1.596116
    122          1           0       -9.813528    4.328026    2.231920
    123          1           0      -11.207921    6.348170    1.911927
    124          1           0      -10.223583    8.420394    0.962617
    125          1           0       15.578442    1.389925   -2.201108
    126          1           0       16.117597   -0.377577   -0.543071
    127          1           0       14.309776   -1.545633    0.679854
    128          1           0       11.927324   -0.994990    0.265550
    129          1           0        9.398504    2.644983   -3.141924
    130          1           0       10.254176    4.311770   -4.766455
    131          1           0       12.685456    4.605972   -5.127657
    132          1           0       14.321336    3.217298   -3.878858
    133          1           0        3.203027   -1.341390    4.938357
    134          1           0        2.038776   -2.567131    5.473790
    135          1           0        3.971861   -2.376932    7.090354
    136          1           0        3.925825   -3.986984    6.346862
    137          1           0        5.100875   -2.779544    5.783095
    138          1           0        3.337906   -5.927051    3.370248
    139          1           0        1.624238   -6.109254    2.929218
    140          1           0        4.010569   -6.663762    1.059218
    141          1           0        3.021628   -7.903459    1.855566
    142          1           0        2.301222   -6.851012    0.621602
    143         17           0        0.743688   -0.358219    3.384830
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177739           0.0073981           0.0058194
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13521.9171535235 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.75D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000487   -0.000014   -0.000825 Ang=   0.11 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.68063800     A.U. after   11 cycles
            NFock= 11  Conv=0.43D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000284350    0.000335215   -0.000021064
      2        6           0.000084427   -0.000175463   -0.000083064
      3        6          -0.000158062    0.000065891    0.000062022
      4        6           0.000237395    0.000102114    0.000065918
      5        6          -0.000012766   -0.000107837   -0.000112450
      6        6           0.000002323   -0.000049168    0.000098059
      7        6           0.000010711   -0.000071204   -0.000011684
      8        6          -0.000390772   -0.000593694    0.000062096
      9        6           0.000675608    0.000018465    0.000249955
     10        6           0.000071699    0.000634201   -0.000227102
     11        6          -0.000057415    0.000078602   -0.000114559
     12        6           0.000244692   -0.000063075    0.000070145
     13        6          -0.000221027    0.000005195   -0.000011224
     14        6           0.000109129    0.000223109    0.000053285
     15        7          -0.000324766   -0.000209668   -0.000009873
     16        6           0.000712340    0.000370039   -0.000241813
     17        6           0.000733398   -0.000297052    0.000255865
     18        7          -0.000876491    0.000072997   -0.000009661
     19        6          -0.000283663   -0.000113944   -0.000017808
     20        6           0.000055757    0.000181888   -0.000034727
     21        6           0.000152998   -0.000160573    0.000079651
     22        6          -0.000318871    0.000030899   -0.000020291
     23        6           0.000453768   -0.000185920    0.000040642
     24        6          -0.000059804   -0.000046153   -0.000064449
     25        6          -0.000044854   -0.000072173   -0.000010719
     26        6           0.000028685    0.000065494    0.000058690
     27        6          -0.000081935   -0.000083884    0.000014591
     28        6          -0.000007869   -0.000052955   -0.000040892
     29        6          -0.000046364    0.000030653   -0.000038805
     30        6           0.000045244   -0.000014141    0.000004273
     31        6          -0.000120586    0.000076371   -0.000060687
     32        6           0.000065354    0.000064166   -0.000079000
     33        6          -0.000265626    0.000137152    0.000025033
     34        6           0.000018378   -0.000116755    0.000067103
     35        6          -0.000164793    0.000015376    0.000028782
     36        6          -0.000029478    0.000029419    0.000010551
     37        6           0.000074880    0.000020748    0.000089891
     38        6           0.000182092    0.000093325   -0.000078687
     39        6          -0.000060694    0.000041499   -0.000075037
     40        6           0.000037582   -0.000009841    0.000007829
     41        7           0.000347902   -0.000141972   -0.000018499
     42        7           0.000043486    0.000010741    0.000037948
     43        7          -0.000223857   -0.000158832    0.000111751
     44        6           0.000022522    0.000079867   -0.000080267
     45        6           0.000112643   -0.000036443   -0.000190846
     46        6          -0.000128094    0.000014171    0.000193635
     47        6          -0.000004089   -0.000028605    0.000078389
     48        6          -0.000114923   -0.000051967   -0.000185744
     49        6          -0.000030839   -0.000121832   -0.000180125
     50        6           0.000062779    0.000106291    0.000178222
     51        6          -0.000035923    0.000105816    0.000196619
     52        6           0.000013354    0.000155628    0.000109285
     53        6          -0.000076716    0.000148130    0.000132322
     54        6           0.000059731   -0.000173614   -0.000133533
     55        6           0.000078153   -0.000102384   -0.000172076
     56        6           0.000061630    0.000065201   -0.000112919
     57        6          -0.000017342   -0.000053736    0.000029988
     58        6           0.000014081   -0.000027604   -0.000029580
     59        6           0.000000944    0.000019582    0.000002353
     60        6           0.000030585   -0.000014148    0.000001775
     61        6          -0.000037620    0.000013225    0.000013983
     62        6          -0.000036191    0.000016151   -0.000054705
     63        6          -0.000000922   -0.000017643    0.000140192
     64        6           0.000028508   -0.000035501   -0.000106899
     65        6          -0.000027284   -0.000002387    0.000027138
     66        6          -0.000052713   -0.000019859   -0.000025356
     67        6           0.000013773    0.000000154   -0.000016254
     68        6           0.000012686   -0.000006498    0.000020127
     69        6          -0.000014450    0.000049549    0.000020712
     70        6          -0.000019839    0.000028283   -0.000037674
     71        6           0.000037097   -0.000001690    0.000121932
     72        6          -0.000035004    0.000039079    0.000118678
     73        6           0.000009063    0.000020377   -0.000045798
     74        6           0.000003029    0.000057331    0.000000118
     75        6          -0.000011564    0.000003201    0.000026337
     76        6          -0.000019106   -0.000005108   -0.000008779
     77        6           0.000051254   -0.000015380   -0.000018049
     78        6           0.000033945    0.000018730    0.000030729
     79        6          -0.000024383   -0.000079387   -0.000088215
     80        8           0.000038300   -0.000017304   -0.000085181
     81       15          -0.000154620    0.000142647    0.000454745
     82        8          -0.000291909    0.000083868    0.000306248
     83        8           0.000009178    0.000056161   -0.000166341
     84        6           0.000226115    0.000040825   -0.000401000
     85        6           0.000041510   -0.000025584    0.000030756
     86        6           0.000048703   -0.000043622    0.000083052
     87        6           0.000011332    0.000000228   -0.000031349
     88        1           0.000024000   -0.000009303    0.000071135
     89        1           0.000014592   -0.000011446    0.000062005
     90        1          -0.000014898   -0.000010366   -0.000043390
     91        1          -0.000000562    0.000008368   -0.000003677
     92        1          -0.000029404   -0.000008159   -0.000023957
     93        1          -0.000028805   -0.000004762    0.000036736
     94        1          -0.000054909   -0.000048535    0.000019854
     95        1           0.000009943    0.000018805   -0.000034179
     96        1           0.000051838    0.000002143    0.000002471
     97        1           0.000016721    0.000026387   -0.000014010
     98        1           0.000008981    0.000015071    0.000013595
     99        1           0.000016171    0.000002601   -0.000006671
    100        1           0.000016019    0.000009150    0.000010550
    101        1           0.000002702   -0.000002557   -0.000001657
    102        1           0.000016963   -0.000021178   -0.000000351
    103        1           0.000022953    0.000010699   -0.000006117
    104        1          -0.000001554    0.000009144   -0.000001101
    105        1          -0.000009029   -0.000004453   -0.000004243
    106        1          -0.000021661   -0.000001425   -0.000003883
    107        1          -0.000005123   -0.000023357    0.000010003
    108        1          -0.000013471   -0.000006863    0.000003709
    109        1           0.000005431   -0.000017700    0.000034095
    110        1           0.000022585    0.000017625   -0.000018669
    111        1          -0.000002995   -0.000001643    0.000018259
    112        1          -0.000011827   -0.000007699   -0.000002722
    113        1          -0.000017303   -0.000007505   -0.000000771
    114        1           0.000009612    0.000005602   -0.000013886
    115        1           0.000007538    0.000004484    0.000030527
    116        1           0.000003433    0.000025196   -0.000025788
    117        1          -0.000001174   -0.000024144    0.000026946
    118        1           0.000018418   -0.000007320   -0.000016853
    119        1           0.000012574   -0.000004602    0.000020355
    120        1          -0.000017277    0.000010099   -0.000024687
    121        1          -0.000024447   -0.000000498    0.000021313
    122        1           0.000013070   -0.000005488   -0.000018149
    123        1           0.000018449   -0.000008740    0.000020407
    124        1           0.000016865    0.000014664   -0.000035671
    125        1          -0.000021143   -0.000004069   -0.000033821
    126        1          -0.000014700   -0.000005160    0.000023226
    127        1          -0.000009766   -0.000014497   -0.000013181
    128        1           0.000013556    0.000010189    0.000010501
    129        1           0.000011214    0.000005911   -0.000028094
    130        1          -0.000009233    0.000001021    0.000019336
    131        1          -0.000018130   -0.000018983   -0.000013351
    132        1           0.000006474   -0.000006613    0.000038364
    133        1          -0.000004882   -0.000126808   -0.000189864
    134        1           0.000086635   -0.000081999    0.000007462
    135        1          -0.000048297    0.000008919   -0.000033742
    136        1           0.000030021   -0.000003767    0.000025093
    137        1          -0.000005438   -0.000007656    0.000001325
    138        1          -0.000014093    0.000014877   -0.000009296
    139        1           0.000005380    0.000007576    0.000001769
    140        1          -0.000004158   -0.000007565    0.000004968
    141        1          -0.000007842    0.000003825    0.000002885
    142        1          -0.000004067    0.000010891    0.000011346
    143       17          -0.000307140   -0.000091843   -0.000185089
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000876491 RMS     0.000128397

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000691657 RMS     0.000058712
 Search for a local minimum.
 Step number  23 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   18   19   20   21   22
                                                     23
 DE= -3.30D-05 DEPred=-1.95D-05 R= 1.69D+00
 TightC=F SS=  1.41D+00  RLast= 1.04D-01 DXNew= 2.0182D+00 3.1219D-01
 Trust test= 1.69D+00 RLast= 1.04D-01 DXMaxT set to 1.20D+00
 ITU=  1  1  1  1 -1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
 ITU=  0  1  0
     Eigenvalues ---    0.00153   0.00252   0.00418   0.00420   0.00769
     Eigenvalues ---    0.00891   0.01589   0.01619   0.01938   0.02146
     Eigenvalues ---    0.02555   0.02607   0.02621   0.02675   0.02701
     Eigenvalues ---    0.02707   0.02709   0.02714   0.02720   0.02725
     Eigenvalues ---    0.02728   0.02732   0.02733   0.02742   0.02751
     Eigenvalues ---    0.02769   0.02770   0.02773   0.02774   0.02775
     Eigenvalues ---    0.02777   0.02781   0.02785   0.02786   0.02788
     Eigenvalues ---    0.02790   0.02791   0.02791   0.02792   0.02792
     Eigenvalues ---    0.02793   0.02793   0.02795   0.02797   0.02801
     Eigenvalues ---    0.02802   0.02802   0.02803   0.02805   0.02805
     Eigenvalues ---    0.02807   0.02807   0.02808   0.02809   0.02810
     Eigenvalues ---    0.02811   0.02812   0.02814   0.02817   0.02817
     Eigenvalues ---    0.02818   0.02818   0.02819   0.02819   0.02821
     Eigenvalues ---    0.02828   0.02832   0.02842   0.02844   0.02845
     Eigenvalues ---    0.02845   0.02846   0.02847   0.02848   0.02850
     Eigenvalues ---    0.02856   0.02863   0.02867   0.02868   0.02868
     Eigenvalues ---    0.02869   0.02872   0.02873   0.02875   0.02875
     Eigenvalues ---    0.02877   0.02877   0.02878   0.02879   0.02879
     Eigenvalues ---    0.02883   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02886   0.02886   0.02888
     Eigenvalues ---    0.02892   0.02893   0.02895   0.02897   0.02898
     Eigenvalues ---    0.02898   0.02898   0.02899   0.02901   0.02908
     Eigenvalues ---    0.02909   0.02913   0.02928   0.02940   0.02942
     Eigenvalues ---    0.02954   0.03023   0.03024   0.03025   0.03079
     Eigenvalues ---    0.03133   0.03133   0.03134   0.03147   0.03151
     Eigenvalues ---    0.03179   0.03202   0.03280   0.03456   0.03592
     Eigenvalues ---    0.03978   0.04626   0.04764   0.05376   0.05556
     Eigenvalues ---    0.05579   0.05612   0.05726   0.05734   0.05755
     Eigenvalues ---    0.07457   0.09093   0.09572   0.10483   0.11074
     Eigenvalues ---    0.11429   0.11772   0.12688   0.13660   0.15186
     Eigenvalues ---    0.15595   0.15781   0.15925   0.15970   0.15976
     Eigenvalues ---    0.15986   0.15986   0.15987   0.15988   0.15990
     Eigenvalues ---    0.15993   0.15995   0.15996   0.15997   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15998   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16002   0.16004
     Eigenvalues ---    0.16005   0.16012   0.16026   0.16073   0.16098
     Eigenvalues ---    0.16138   0.16674   0.17327   0.18696   0.19922
     Eigenvalues ---    0.20932   0.21992   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22001   0.22003
     Eigenvalues ---    0.22040   0.22386   0.22437   0.22513   0.22601
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22604   0.22700
     Eigenvalues ---    0.22965   0.22968   0.22998   0.23135   0.23241
     Eigenvalues ---    0.23473   0.23545   0.23729   0.24000   0.24030
     Eigenvalues ---    0.24211   0.24479   0.24488   0.24490   0.24494
     Eigenvalues ---    0.24535   0.24539   0.24805   0.24887   0.24975
     Eigenvalues ---    0.24987   0.24988   0.24989   0.24989   0.24990
     Eigenvalues ---    0.24993   0.24997   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25001   0.25003   0.25012   0.25018
     Eigenvalues ---    0.25074   0.25128   0.25479   0.26434   0.27961
     Eigenvalues ---    0.28377   0.29266   0.29787   0.29798   0.30520
     Eigenvalues ---    0.32016   0.32098   0.32128   0.32141   0.32148
     Eigenvalues ---    0.32156   0.32178   0.32219   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33295   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33460   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33634   0.33638
     Eigenvalues ---    0.33642   0.33642   0.33646   0.33663   0.33702
     Eigenvalues ---    0.33722   0.33740   0.33820   0.33830   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33897   0.33922   0.33941
     Eigenvalues ---    0.33947   0.33955   0.33960   0.34466   0.34505
     Eigenvalues ---    0.34811   0.34922   0.35055   0.38242   0.41615
     Eigenvalues ---    0.42231   0.43603   0.44429   0.44438   0.44443
     Eigenvalues ---    0.44478   0.45645   0.46762   0.48744   0.48973
     Eigenvalues ---    0.48976   0.49074   0.49285   0.49585   0.49801
     Eigenvalues ---    0.49806   0.49825   0.49851   0.49932   0.49976
     Eigenvalues ---    0.50055   0.50174   0.50403   0.50408   0.50611
     Eigenvalues ---    0.50615   0.50617   0.50916   0.51425   0.51795
     Eigenvalues ---    0.52228   0.52330   0.52582   0.52881   0.53713
     Eigenvalues ---    0.54095   0.54114   0.54199   0.54201   0.54206
     Eigenvalues ---    0.54343   0.54546   0.55118   0.55226   0.55303
     Eigenvalues ---    0.55337   0.55350   0.55365   0.55393   0.55418
     Eigenvalues ---    0.55442   0.55545   0.55578   0.55609   0.55700
     Eigenvalues ---    0.55705   0.55753   0.55769   0.55939   0.55947
     Eigenvalues ---    0.56146   0.56149   0.56153   0.56188   0.56262
     Eigenvalues ---    0.56303   0.56357   0.56402   0.56659   0.56662
     Eigenvalues ---    0.56664   0.56670   0.56673   0.56682   0.56845
     Eigenvalues ---    0.56902   0.56914   0.56966   0.57124   0.57174
     Eigenvalues ---    0.57179   0.57192   0.57195   0.57210   0.57668
     Eigenvalues ---    0.61790   0.62682   0.66053   0.66072   0.67650
     Eigenvalues ---    0.67658   0.67662   0.69010   0.70047   0.70091
     Eigenvalues ---    0.73643   0.77191   0.80053
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    23   22   21   20   19   18   17   16   15   14
 RFO step:  Lambda=-3.59446937D-05.
 DidBck=F Rises=F RFO-DIIS coefs:    2.38192   -2.00000    0.19746    0.52651   -0.11328
                  RFO-DIIS coefs:   -0.19408    0.08537   -0.01215    0.27860   -0.15034
 Iteration  1 RMS(Cart)=  0.02817844 RMS(Int)=  0.00016689
 Iteration  2 RMS(Cart)=  0.00022304 RMS(Int)=  0.00014195
 Iteration  3 RMS(Cart)=  0.00000007 RMS(Int)=  0.00014195
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64652   0.00014  -0.00003   0.00017   0.00013   2.64665
    R2        2.66044  -0.00005   0.00009  -0.00005  -0.00001   2.66043
    R3        2.80367  -0.00030  -0.00043  -0.00034  -0.00076   2.80290
    R4        2.64629  -0.00009   0.00024  -0.00019   0.00008   2.64637
    R5        2.04888  -0.00001  -0.00013   0.00004  -0.00010   2.04878
    R6        2.66465   0.00012   0.00034  -0.00001   0.00060   2.66525
    R7        2.78986   0.00012  -0.00008  -0.00004   0.00004   2.78990
    R8        2.64693  -0.00011  -0.00012  -0.00001  -0.00011   2.64682
    R9        2.78198  -0.00019  -0.00092   0.00014  -0.00073   2.78125
   R10        2.62027   0.00000  -0.00032   0.00015  -0.00020   2.62007
   R11        2.04841   0.00001  -0.00002  -0.00004  -0.00006   2.04834
   R12        2.05102  -0.00001  -0.00008   0.00005  -0.00003   2.05099
   R13        2.67861   0.00001   0.00083  -0.00016   0.00061   2.67922
   R14        2.64444  -0.00002   0.00010  -0.00006   0.00006   2.64450
   R15        2.84006   0.00038  -0.00296   0.00141  -0.00176   2.83830
   R16        2.64489  -0.00019   0.00029  -0.00017   0.00011   2.64500
   R17        2.84518   0.00036  -0.00261   0.00130  -0.00180   2.84338
   R18        2.70177  -0.00017  -0.00438   0.00150  -0.00288   2.69890
   R19        3.92682  -0.00016   0.04322  -0.00726   0.03606   3.96288
   R20        2.43310  -0.00030   0.00093  -0.00022   0.00064   2.43374
   R21        2.64704   0.00002  -0.00019   0.00013  -0.00003   2.64701
   R22        2.04791   0.00000  -0.00008  -0.00000  -0.00009   2.04782
   R23        2.65017  -0.00018   0.00002  -0.00022  -0.00020   2.64998
   R24        2.80094  -0.00001   0.00024  -0.00003   0.00021   2.80116
   R25        2.62437   0.00008  -0.00041   0.00024  -0.00019   2.62418
   R26        2.05038   0.00001  -0.00007   0.00008   0.00001   2.05038
   R27        2.04138  -0.00002   0.00019  -0.00014   0.00005   2.04143
   R28        2.69539   0.00039  -0.00022   0.00054   0.00039   2.69579
   R29        3.32348  -0.00004   0.00304  -0.00051   0.00250   3.32598
   R30        5.35409  -0.00003   0.02979  -0.00408   0.02560   5.37968
   R31        2.67166  -0.00017   0.00026  -0.00031   0.00032   2.67199
   R32        2.65352  -0.00026  -0.00023  -0.00011  -0.00034   2.65318
   R33        2.61516   0.00069  -0.00073   0.00065   0.00021   2.61537
   R34        2.65026  -0.00017   0.00039  -0.00033   0.00007   2.65033
   R35        2.62487   0.00009  -0.00015   0.00012  -0.00005   2.62482
   R36        2.03783   0.00004   0.00006   0.00004   0.00009   2.03792
   R37        2.65885  -0.00012   0.00031  -0.00018   0.00011   2.65897
   R38        2.05122  -0.00000  -0.00004   0.00003  -0.00002   2.05121
   R39        2.63346   0.00014  -0.00021   0.00027   0.00005   2.63351
   R40        2.80164  -0.00009   0.00008  -0.00017  -0.00009   2.80156
   R41        2.04952  -0.00001  -0.00011   0.00004  -0.00006   2.04946
   R42        2.65565   0.00004   0.00007   0.00006   0.00012   2.65577
   R43        2.65532   0.00008   0.00015   0.00008   0.00023   2.65555
   R44        2.65574  -0.00007  -0.00022  -0.00001  -0.00023   2.65551
   R45        2.65574  -0.00006  -0.00021   0.00003  -0.00018   2.65556
   R46        2.65565  -0.00004  -0.00016   0.00001  -0.00015   2.65550
   R47        2.65564  -0.00002  -0.00009   0.00003  -0.00006   2.65558
   R48        2.62891   0.00004   0.00016  -0.00004   0.00011   2.62903
   R49        2.05124   0.00002  -0.00000   0.00006   0.00005   2.05129
   R50        2.64729  -0.00004   0.00006  -0.00000   0.00006   2.64734
   R51        2.05009  -0.00002  -0.00013   0.00004  -0.00009   2.05001
   R52        2.64684   0.00000   0.00014   0.00002   0.00017   2.64701
   R53        2.68034  -0.00011  -0.00043  -0.00005  -0.00047   2.67987
   R54        2.62933   0.00000   0.00003  -0.00003   0.00000   2.62934
   R55        2.05008  -0.00002  -0.00013   0.00004  -0.00008   2.04999
   R56        2.05143   0.00001  -0.00001   0.00004   0.00003   2.05146
   R57        2.62948  -0.00004  -0.00008  -0.00004  -0.00012   2.62936
   R58        2.05123   0.00000  -0.00005   0.00005   0.00000   2.05124
   R59        2.64670   0.00000   0.00003   0.00005   0.00008   2.64677
   R60        2.05015  -0.00002  -0.00011   0.00003  -0.00007   2.05008
   R61        2.64659   0.00002   0.00008   0.00005   0.00013   2.64672
   R62        2.68169  -0.00027  -0.00040  -0.00021  -0.00061   2.68109
   R63        2.62954  -0.00007  -0.00009  -0.00007  -0.00016   2.62938
   R64        2.05016  -0.00002  -0.00010   0.00003  -0.00006   2.05010
   R65        2.05147  -0.00001  -0.00005   0.00003  -0.00002   2.05145
   R66        2.62963   0.00001   0.00006  -0.00004   0.00003   2.62966
   R67        2.05148   0.00000  -0.00000   0.00003   0.00003   2.05152
   R68        2.64626  -0.00002   0.00007   0.00001   0.00008   2.64634
   R69        2.05027  -0.00001  -0.00013   0.00006  -0.00007   2.05019
   R70        2.64642   0.00002   0.00011   0.00008   0.00018   2.64661
   R71        2.68251  -0.00023  -0.00054  -0.00014  -0.00068   2.68183
   R72        2.62941  -0.00002  -0.00002  -0.00004  -0.00005   2.62936
   R73        2.05026  -0.00002  -0.00012   0.00003  -0.00009   2.05017
   R74        2.05130   0.00001  -0.00000   0.00004   0.00003   2.05133
   R75        2.64653   0.00009   0.00024   0.00004   0.00027   2.64681
   R76        2.64659   0.00007   0.00022   0.00004   0.00026   2.64684
   R77        2.64747  -0.00005   0.00017  -0.00003   0.00014   2.64761
   R78        2.64746  -0.00003   0.00025  -0.00004   0.00021   2.64767
   R79        2.64616   0.00007   0.00032   0.00003   0.00035   2.64651
   R80        2.64587   0.00004   0.00031  -0.00000   0.00031   2.64617
   R81        2.67979  -0.00002  -0.00008   0.00002  -0.00006   2.67973
   R82        2.64094   0.00000   0.00010   0.00002   0.00012   2.64106
   R83        2.73650  -0.00001  -0.00008   0.00003  -0.00005   2.73646
   R84        2.64495  -0.00004  -0.00008  -0.00001  -0.00008   2.64487
   R85        2.67974  -0.00002  -0.00006  -0.00000  -0.00006   2.67969
   R86        2.64496  -0.00003  -0.00006  -0.00001  -0.00007   2.64489
   R87        2.64095  -0.00000   0.00011  -0.00001   0.00010   2.64105
   R88        2.68002  -0.00005  -0.00007  -0.00003  -0.00010   2.67993
   R89        2.64097   0.00000   0.00012  -0.00002   0.00010   2.64107
   R90        2.73651  -0.00002  -0.00013   0.00005  -0.00008   2.73643
   R91        2.64505  -0.00005  -0.00008  -0.00001  -0.00009   2.64496
   R92        2.68005  -0.00005  -0.00009  -0.00001  -0.00010   2.67996
   R93        2.64505  -0.00005  -0.00010  -0.00001  -0.00010   2.64494
   R94        2.64095   0.00000   0.00009  -0.00001   0.00009   2.64104
   R95        2.68013  -0.00004  -0.00012  -0.00000  -0.00012   2.68001
   R96        2.64098   0.00001   0.00009   0.00001   0.00009   2.64108
   R97        2.73647  -0.00002  -0.00012   0.00004  -0.00008   2.73640
   R98        2.64514  -0.00005  -0.00010  -0.00000  -0.00011   2.64503
   R99        2.68030  -0.00005  -0.00010  -0.00001  -0.00012   2.68018
   R100       2.64508  -0.00005  -0.00009  -0.00002  -0.00011   2.64497
   R101       2.64101  -0.00000   0.00009  -0.00001   0.00008   2.64109
   R102       2.62981  -0.00005  -0.00015   0.00001  -0.00014   2.62967
   R103       2.05271   0.00000   0.00001   0.00000   0.00001   2.05272
   R104       2.65533  -0.00001  -0.00005   0.00003  -0.00002   2.65532
   R105       2.05146  -0.00001  -0.00002  -0.00000  -0.00002   2.05144
   R106       2.63267  -0.00001   0.00000  -0.00002  -0.00002   2.63265
   R107       2.05228  -0.00000   0.00000   0.00000   0.00000   2.05228
   R108       2.04899  -0.00001  -0.00012   0.00005  -0.00008   2.04891
   R109       2.63269  -0.00001   0.00001  -0.00002  -0.00002   2.63267
   R110       2.04900  -0.00002  -0.00011   0.00002  -0.00009   2.04892
   R111       2.65532  -0.00001  -0.00004   0.00002  -0.00002   2.65530
   R112       2.05231  -0.00000   0.00000   0.00000   0.00000   2.05231
   R113       2.62986  -0.00005  -0.00015   0.00000  -0.00014   2.62972
   R114       2.05150  -0.00001  -0.00003   0.00000  -0.00002   2.05148
   R115       2.05272   0.00000   0.00001  -0.00000   0.00001   2.05273
   R116       2.62982  -0.00004  -0.00011   0.00001  -0.00011   2.62971
   R117       2.05275  -0.00000   0.00001  -0.00000   0.00001   2.05276
   R118       2.65547  -0.00002  -0.00003   0.00001  -0.00002   2.65545
   R119       2.05152  -0.00001  -0.00003   0.00000  -0.00003   2.05149
   R120       2.63261  -0.00001  -0.00002   0.00001  -0.00001   2.63260
   R121       2.05231  -0.00000   0.00001   0.00000   0.00001   2.05231
   R122       2.04904  -0.00002  -0.00007   0.00001  -0.00006   2.04898
   R123       2.63260  -0.00001  -0.00002   0.00000  -0.00002   2.63259
   R124       2.04906  -0.00002  -0.00009   0.00003  -0.00006   2.04900
   R125       2.65548  -0.00002  -0.00002   0.00001  -0.00001   2.65547
   R126       2.05230  -0.00000   0.00001  -0.00000   0.00001   2.05231
   R127       2.62983  -0.00005  -0.00013   0.00001  -0.00012   2.62970
   R128       2.05151  -0.00001  -0.00002  -0.00000  -0.00003   2.05148
   R129       2.05275  -0.00000   0.00001  -0.00000   0.00001   2.05276
   R130       2.62989  -0.00005  -0.00014   0.00001  -0.00012   2.62977
   R131       2.05277  -0.00000   0.00000   0.00000   0.00001   2.05277
   R132       2.65553  -0.00002  -0.00005   0.00002  -0.00003   2.65551
   R133       2.05154  -0.00001  -0.00003   0.00000  -0.00003   2.05151
   R134       2.63259  -0.00001   0.00002  -0.00002   0.00000   2.63259
   R135       2.05237  -0.00000   0.00001  -0.00000   0.00000   2.05238
   R136       2.04910  -0.00001  -0.00013   0.00007  -0.00006   2.04904
   R137       2.63252  -0.00001   0.00000   0.00000   0.00000   2.63252
   R138       2.04909  -0.00002  -0.00006  -0.00001  -0.00007   2.04902
   R139       2.65563  -0.00002  -0.00004   0.00001  -0.00003   2.65560
   R140       2.05230  -0.00000   0.00000   0.00000   0.00001   2.05231
   R141       2.62978  -0.00004  -0.00011  -0.00000  -0.00012   2.62966
   R142       2.05152  -0.00001  -0.00003   0.00000  -0.00003   2.05149
   R143       2.05277  -0.00000   0.00001  -0.00000   0.00000   2.05277
   R144       2.78559  -0.00006  -0.00028  -0.00015  -0.00043   2.78516
   R145       3.03093  -0.00019  -0.00189   0.00048  -0.00160   3.02933
   R146       3.04379   0.00006  -0.00005   0.00035   0.00030   3.04409
   R147       2.76748  -0.00054  -0.00053  -0.00076  -0.00145   2.76602
   R148       2.75514   0.00004   0.00046  -0.00001   0.00045   2.75559
   R149       2.86303   0.00003  -0.00039   0.00039   0.00000   2.86303
   R150       2.06501  -0.00010  -0.00061   0.00039  -0.00019   2.06482
   R151       2.06379   0.00002  -0.00036   0.00030   0.00006   2.06385
   R152       2.06855  -0.00001  -0.00012   0.00009  -0.00003   2.06851
   R153       2.06684   0.00001   0.00004  -0.00005  -0.00001   2.06682
   R154       2.06663  -0.00001  -0.00002   0.00000  -0.00002   2.06662
   R155       2.86352   0.00000  -0.00004   0.00005   0.00001   2.86352
   R156       2.06940  -0.00001  -0.00012   0.00002  -0.00010   2.06931
   R157       2.06734  -0.00001  -0.00004   0.00002  -0.00002   2.06731
   R158       2.06627  -0.00001  -0.00004   0.00002  -0.00002   2.06625
   R159       2.06821  -0.00000   0.00003  -0.00004  -0.00001   2.06820
   R160       2.06607  -0.00001  -0.00003   0.00003  -0.00000   2.06607
   R161       5.80254  -0.00003  -0.01025   0.00434  -0.00594   5.79660
   R162       6.24477   0.00008  -0.01384   0.00757  -0.00619   6.23857
    A1        2.06478  -0.00004  -0.00018  -0.00014  -0.00031   2.06447
    A2        2.10870   0.00000   0.00003   0.00004   0.00007   2.10876
    A3        2.10971   0.00004   0.00015   0.00010   0.00025   2.10996
    A4        2.12707   0.00001   0.00040  -0.00002   0.00046   2.12754
    A5        2.07036   0.00002  -0.00044   0.00012  -0.00037   2.06998
    A6        2.08505  -0.00003   0.00002  -0.00010  -0.00012   2.08494
    A7        2.07147  -0.00002  -0.00058   0.00028  -0.00041   2.07106
    A8        2.14681  -0.00006  -0.00029  -0.00017  -0.00082   2.14598
    A9        2.06179   0.00008   0.00081  -0.00009   0.00119   2.06299
   A10        2.09094  -0.00000   0.00020  -0.00030  -0.00014   2.09080
   A11        2.09569   0.00003   0.00045  -0.00012   0.00063   2.09631
   A12        2.09599  -0.00003  -0.00059   0.00042  -0.00043   2.09556
   A13        2.10486   0.00003   0.00011   0.00013   0.00031   2.10518
   A14        2.06686  -0.00003  -0.00036   0.00007  -0.00031   2.06655
   A15        2.11139   0.00001   0.00023  -0.00020  -0.00001   2.11138
   A16        2.10579   0.00002   0.00002   0.00004   0.00006   2.10585
   A17        2.08877  -0.00003  -0.00008   0.00000  -0.00008   2.08869
   A18        2.08861   0.00001   0.00006  -0.00004   0.00002   2.08863
   A19        2.09364   0.00004   0.00031   0.00010   0.00054   2.09417
   A20        2.10690  -0.00002   0.00055  -0.00029   0.00022   2.10711
   A21        2.07544  -0.00002  -0.00084   0.00021  -0.00072   2.07472
   A22        2.07118  -0.00013   0.00021  -0.00017  -0.00013   2.07105
   A23        2.06780   0.00008   0.00065  -0.00014   0.00061   2.06841
   A24        2.13997   0.00004  -0.00100   0.00035  -0.00057   2.13940
   A25        1.93244   0.00006   0.00503  -0.00112   0.00550   1.93794
   A26        2.04990  -0.00005   0.00255  -0.00018   0.00409   2.05399
   A27        1.87374  -0.00018  -0.00487  -0.00009  -0.00553   1.86821
   A28        2.01099   0.00003   0.00202  -0.00072   0.00281   2.01380
   A29        1.69994   0.00001  -0.01061   0.00212  -0.00907   1.69087
   A30        2.02226  -0.00002   0.00194  -0.00050   0.00170   2.02396
   A31        2.08526   0.00003  -0.00063   0.00027  -0.00003   2.08523
   A32        2.17323  -0.00001  -0.00111   0.00018  -0.00150   2.17173
   A33        2.13687  -0.00008  -0.00013   0.00001  -0.00008   2.13679
   A34        2.07701   0.00003   0.00057  -0.00009   0.00046   2.07747
   A35        2.06638   0.00005  -0.00034   0.00005  -0.00030   2.06607
   A36        2.05289   0.00008   0.00078  -0.00011   0.00068   2.05357
   A37        2.10956  -0.00002  -0.00036   0.00007  -0.00030   2.10926
   A38        2.12002  -0.00005  -0.00041   0.00004  -0.00037   2.11964
   A39        2.10834   0.00000  -0.00036   0.00004  -0.00035   2.10800
   A40        2.09492  -0.00004  -0.00024  -0.00001  -0.00024   2.09468
   A41        2.07970   0.00004   0.00062  -0.00003   0.00060   2.08030
   A42        2.11940  -0.00005  -0.00031   0.00013  -0.00020   2.11919
   A43        2.10041   0.00003  -0.00069   0.00039  -0.00028   2.10013
   A44        2.06305   0.00003   0.00099  -0.00052   0.00049   2.06354
   A45        2.08247   0.00005  -0.00002   0.00019  -0.00068   2.08179
   A46        2.05792  -0.00004   0.00092   0.00083   0.00192   2.05984
   A47        2.08551  -0.00003  -0.00107  -0.00002  -0.00018   2.08533
   A48        2.07734   0.00012  -0.00483   0.00301  -0.00157   2.07578
   A49        1.55995  -0.00006  -0.00129   0.00111  -0.00017   1.55979
   A50        2.07865  -0.00005  -0.00067   0.00015  -0.00036   2.07828
   A51        2.15219  -0.00014  -0.00039  -0.00027  -0.00078   2.15141
   A52        2.05152   0.00020   0.00106   0.00010   0.00113   2.05265
   A53        2.14019  -0.00003  -0.00013   0.00001   0.00022   2.14041
   A54        2.10345  -0.00003  -0.00059   0.00008  -0.00062   2.10283
   A55        2.03947   0.00005   0.00072  -0.00010   0.00038   2.03985
   A56        2.07902  -0.00000  -0.00019   0.00024   0.00000   2.07902
   A57        2.11047  -0.00010  -0.00068  -0.00005  -0.00069   2.10977
   A58        2.10665  -0.00001  -0.00051   0.00020  -0.00032   2.10633
   A59        2.06606   0.00012   0.00118  -0.00015   0.00102   2.06708
   A60        2.13256  -0.00005  -0.00006  -0.00010  -0.00015   2.13241
   A61        2.06308   0.00006   0.00052  -0.00003   0.00048   2.06356
   A62        2.08735  -0.00001  -0.00045   0.00013  -0.00032   2.08703
   A63        2.03814   0.00006   0.00064   0.00005   0.00071   2.03885
   A64        2.12217  -0.00001  -0.00042   0.00001  -0.00042   2.12175
   A65        2.12287  -0.00005  -0.00021  -0.00007  -0.00029   2.12257
   A66        2.13013  -0.00009  -0.00038  -0.00009  -0.00041   2.12972
   A67        2.03130   0.00010   0.00055   0.00014   0.00066   2.03196
   A68        2.12144  -0.00001  -0.00017  -0.00005  -0.00025   2.12119
   A69        2.11106   0.00006   0.00032   0.00005   0.00037   2.11144
   A70        2.11587   0.00002   0.00022   0.00003   0.00025   2.11612
   A71        2.05626  -0.00009  -0.00054  -0.00009  -0.00063   2.05563
   A72        2.11675  -0.00002  -0.00001   0.00003   0.00003   2.11677
   A73        2.11064  -0.00002  -0.00012  -0.00002  -0.00014   2.11050
   A74        2.05580   0.00004   0.00013  -0.00002   0.00011   2.05591
   A75        2.11460   0.00005   0.00035  -0.00005   0.00030   2.11490
   A76        2.11350  -0.00005  -0.00026   0.00005  -0.00021   2.11329
   A77        2.05509   0.00000  -0.00009   0.00000  -0.00008   2.05500
   A78        2.11691  -0.00001  -0.00005   0.00002  -0.00002   2.11689
   A79        2.08694  -0.00001  -0.00001   0.00003   0.00002   2.08696
   A80        2.07847   0.00002   0.00007  -0.00008  -0.00000   2.07847
   A81        2.09826  -0.00002   0.00006  -0.00001   0.00005   2.09831
   A82        2.10022  -0.00000  -0.00025  -0.00010  -0.00035   2.09987
   A83        2.08448   0.00002   0.00019   0.00010   0.00029   2.08477
   A84        2.08013   0.00002  -0.00018   0.00001  -0.00017   2.07996
   A85        2.10125  -0.00000   0.00010   0.00002   0.00012   2.10137
   A86        2.10180  -0.00002   0.00008  -0.00003   0.00006   2.10186
   A87        2.09783  -0.00002   0.00008  -0.00002   0.00006   2.09789
   A88        2.08494   0.00001   0.00013   0.00008   0.00020   2.08514
   A89        2.10018   0.00001  -0.00022  -0.00006  -0.00028   2.09990
   A90        2.11726  -0.00001  -0.00003   0.00001  -0.00003   2.11724
   A91        2.08486  -0.00001  -0.00009   0.00004  -0.00005   2.08482
   A92        2.08012   0.00002   0.00013  -0.00005   0.00007   2.08019
   A93        2.11663   0.00005   0.00035   0.00003   0.00039   2.11702
   A94        2.08560  -0.00003  -0.00013   0.00004  -0.00009   2.08551
   A95        2.08007  -0.00002  -0.00022  -0.00008  -0.00030   2.07977
   A96        2.09792   0.00001   0.00008   0.00003   0.00011   2.09804
   A97        2.10039  -0.00002  -0.00026  -0.00011  -0.00037   2.10001
   A98        2.08466   0.00001   0.00017   0.00008   0.00025   2.08491
   A99        2.08075  -0.00002  -0.00030  -0.00006  -0.00036   2.08039
   A100       2.10145   0.00003   0.00017   0.00009   0.00025   2.10170
   A101       2.10098  -0.00001   0.00014  -0.00003   0.00011   2.10109
   A102       2.09758   0.00001   0.00013   0.00002   0.00015   2.09773
   A103       2.08460   0.00000   0.00008   0.00006   0.00015   2.08475
   A104       2.10079  -0.00001  -0.00023  -0.00009  -0.00031   2.10047
   A105       2.11706   0.00004   0.00028   0.00006   0.00033   2.11739
   A106       2.08589  -0.00002  -0.00005   0.00003  -0.00002   2.08586
   A107       2.07938  -0.00002  -0.00023  -0.00010  -0.00032   2.07906
   A108       2.11757   0.00000   0.00001   0.00003   0.00005   2.11762
   A109       2.08700  -0.00001   0.00003   0.00002   0.00005   2.08705
   A110       2.07777   0.00001  -0.00004  -0.00006  -0.00010   2.07767
   A111       2.09789  -0.00000   0.00013  -0.00001   0.00012   2.09801
   A112       2.10052  -0.00001  -0.00028  -0.00008  -0.00035   2.10016
   A113       2.08456   0.00001   0.00013   0.00009   0.00022   2.08478
   A114       2.08018  -0.00000  -0.00022  -0.00002  -0.00024   2.07994
   A115       2.10140  -0.00001   0.00016  -0.00007   0.00008   2.10148
   A116       2.10161   0.00001   0.00006   0.00009   0.00016   2.10177
   A117       2.09820  -0.00001   0.00002   0.00003   0.00005   2.09825
   A118       2.08464   0.00002   0.00016   0.00008   0.00024   2.08488
   A119       2.10013  -0.00000  -0.00019  -0.00011  -0.00030   2.09983
   A120       2.11733   0.00001   0.00014  -0.00003   0.00011   2.11744
   A121       2.08574  -0.00002  -0.00012   0.00005  -0.00006   2.08568
   A122       2.07940   0.00001  -0.00003  -0.00003  -0.00005   2.07934
   A123       2.19589   0.00000   0.00004  -0.00004   0.00000   2.19589
   A124       2.19598   0.00003   0.00011   0.00004   0.00015   2.19613
   A125       1.89132  -0.00004  -0.00016   0.00000  -0.00015   1.89116
   A126       2.19612   0.00000   0.00000   0.00005   0.00005   2.19617
   A127       2.19608  -0.00001   0.00015  -0.00009   0.00006   2.19614
   A128       1.89098   0.00000  -0.00015   0.00004  -0.00011   1.89087
   A129       2.19581   0.00004   0.00006   0.00007   0.00013   2.19594
   A130       2.19606  -0.00001   0.00011  -0.00010   0.00001   2.19607
   A131       1.89132  -0.00003  -0.00017   0.00003  -0.00014   1.89117
   A132       1.90141   0.00001   0.00005  -0.00003   0.00002   1.90144
   A133       2.25947   0.00002   0.00027   0.00006   0.00034   2.25980
   A134       2.12185  -0.00002  -0.00035  -0.00004  -0.00039   2.12145
   A135       1.86548  -0.00001   0.00004  -0.00000   0.00004   1.86552
   A136       2.08600   0.00003   0.00027   0.00005   0.00032   2.08632
   A137       2.33167  -0.00002  -0.00032  -0.00005  -0.00037   2.33129
   A138       1.86545  -0.00001   0.00005  -0.00001   0.00004   1.86550
   A139       2.33162  -0.00001  -0.00032  -0.00002  -0.00035   2.33127
   A140       2.08608   0.00002   0.00026   0.00003   0.00029   2.08637
   A141       1.90145   0.00000   0.00001  -0.00001   0.00000   1.90145
   A142       2.25959   0.00001   0.00033  -0.00000   0.00032   2.25991
   A143       2.12170  -0.00002  -0.00036   0.00001  -0.00036   2.12134
   A144       1.90151  -0.00000   0.00001  -0.00001   0.00001   1.90152
   A145       2.25918   0.00004   0.00034   0.00000   0.00034   2.25952
   A146       2.12209  -0.00003  -0.00039  -0.00000  -0.00039   2.12170
   A147       1.86522   0.00002   0.00006   0.00001   0.00007   1.86529
   A148       2.08573   0.00004   0.00031   0.00004   0.00035   2.08609
   A149       2.33220  -0.00006  -0.00038  -0.00005  -0.00043   2.33177
   A150       1.86528   0.00002   0.00006   0.00000   0.00006   1.86534
   A151       2.33212  -0.00006  -0.00034  -0.00006  -0.00040   2.33172
   A152       2.08575   0.00004   0.00027   0.00005   0.00032   2.08608
   A153       1.90145  -0.00000   0.00002  -0.00001   0.00001   1.90146
   A154       2.25928   0.00003   0.00028   0.00003   0.00031   2.25959
   A155       2.12207  -0.00003  -0.00034  -0.00003  -0.00036   2.12171
   A156       1.90165  -0.00001   0.00000  -0.00003  -0.00002   1.90163
   A157       2.25888   0.00004   0.00030   0.00007   0.00037   2.25926
   A158       2.12227  -0.00003  -0.00034  -0.00005  -0.00039   2.12188
   A159       1.86508   0.00002   0.00009   0.00000   0.00009   1.86517
   A160       2.08566   0.00004   0.00030   0.00005   0.00035   2.08602
   A161       2.33241  -0.00005  -0.00039  -0.00006  -0.00046   2.33195
   A162       1.86505   0.00002   0.00008   0.00001   0.00009   1.86514
   A163       2.33248  -0.00005  -0.00042  -0.00004  -0.00046   2.33202
   A164       2.08563   0.00004   0.00032   0.00003   0.00036   2.08598
   A165       1.90168   0.00000  -0.00000  -0.00001  -0.00001   1.90166
   A166       2.25907   0.00002   0.00036  -0.00001   0.00035   2.25942
   A167       2.12207  -0.00003  -0.00040   0.00001  -0.00039   2.12169
   A168       2.07981   0.00001   0.00005  -0.00003   0.00002   2.07983
   A169       2.10050  -0.00003  -0.00026  -0.00001  -0.00027   2.10023
   A170       2.10286   0.00002   0.00021   0.00004   0.00026   2.10311
   A171       2.10426  -0.00001  -0.00018  -0.00001  -0.00018   2.10408
   A172       2.09165   0.00003   0.00027  -0.00000   0.00027   2.09193
   A173       2.08726  -0.00001  -0.00010   0.00000  -0.00009   2.08717
   A174       2.11955   0.00002   0.00012   0.00002   0.00014   2.11970
   A175       2.08507  -0.00000  -0.00004   0.00003  -0.00000   2.08507
   A176       2.07856  -0.00001  -0.00008  -0.00006  -0.00014   2.07842
   A177       2.05480  -0.00001   0.00011  -0.00002   0.00009   2.05489
   A178       2.11711   0.00001   0.00018   0.00005   0.00022   2.11734
   A179       2.11126   0.00000  -0.00029  -0.00003  -0.00032   2.11094
   A180       2.05466  -0.00001   0.00010   0.00000   0.00010   2.05476
   A181       2.11720   0.00001   0.00014   0.00007   0.00021   2.11741
   A182       2.11131   0.00000  -0.00024  -0.00007  -0.00032   2.11099
   A183       2.11961   0.00002   0.00012   0.00003   0.00015   2.11976
   A184       2.07843  -0.00001  -0.00010  -0.00005  -0.00015   2.07828
   A185       2.08513  -0.00000  -0.00002   0.00002  -0.00000   2.08513
   A186       2.10428  -0.00002  -0.00019  -0.00001  -0.00020   2.10408
   A187       2.08735  -0.00001  -0.00009   0.00001  -0.00008   2.08726
   A188       2.09155   0.00003   0.00028   0.00000   0.00028   2.09183
   A189       2.07979   0.00001   0.00005  -0.00002   0.00003   2.07982
   A190       2.10051  -0.00003  -0.00027  -0.00001  -0.00028   2.10023
   A191       2.10287   0.00002   0.00022   0.00003   0.00025   2.10312
   A192       2.07984   0.00001   0.00004  -0.00003   0.00001   2.07985
   A193       2.10053  -0.00004  -0.00030  -0.00000  -0.00030   2.10024
   A194       2.10280   0.00003   0.00026   0.00003   0.00029   2.10309
   A195       2.10440  -0.00003  -0.00020  -0.00002  -0.00022   2.10419
   A196       2.09153   0.00003   0.00028   0.00001   0.00029   2.09182
   A197       2.08724  -0.00001  -0.00007   0.00000  -0.00007   2.08717
   A198       2.11955   0.00002   0.00015   0.00003   0.00018   2.11973
   A199       2.08506   0.00000   0.00004   0.00001   0.00005   2.08511
   A200       2.07857  -0.00002  -0.00019  -0.00004  -0.00022   2.07835
   A201       2.05461  -0.00001   0.00007  -0.00001   0.00006   2.05467
   A202       2.11689   0.00002   0.00018   0.00007   0.00025   2.11714
   A203       2.11167  -0.00001  -0.00026  -0.00006  -0.00032   2.11135
   A204       2.05462  -0.00001   0.00008  -0.00002   0.00007   2.05468
   A205       2.11680   0.00003   0.00025   0.00005   0.00030   2.11710
   A206       2.11175  -0.00002  -0.00034  -0.00003  -0.00037   2.11138
   A207       2.11951   0.00002   0.00018   0.00002   0.00019   2.11971
   A208       2.07865  -0.00003  -0.00021  -0.00004  -0.00024   2.07841
   A209       2.08502   0.00000   0.00003   0.00002   0.00005   2.08507
   A210       2.10444  -0.00003  -0.00022  -0.00001  -0.00023   2.10420
   A211       2.08720  -0.00001  -0.00007  -0.00000  -0.00007   2.08713
   A212       2.09154   0.00003   0.00029   0.00001   0.00030   2.09184
   A213       2.07984   0.00001   0.00003  -0.00003   0.00000   2.07984
   A214       2.10056  -0.00004  -0.00030  -0.00001  -0.00031   2.10025
   A215       2.10278   0.00003   0.00027   0.00004   0.00031   2.10309
   A216       2.07994   0.00001   0.00004  -0.00004  -0.00000   2.07993
   A217       2.10053  -0.00003  -0.00029  -0.00001  -0.00030   2.10024
   A218       2.10270   0.00003   0.00025   0.00005   0.00030   2.10300
   A219       2.10440  -0.00002  -0.00023   0.00000  -0.00022   2.10418
   A220       2.09149   0.00003   0.00031  -0.00000   0.00030   2.09179
   A221       2.08729  -0.00001  -0.00008   0.00000  -0.00008   2.08720
   A222       2.11951   0.00002   0.00016   0.00002   0.00018   2.11969
   A223       2.08496   0.00000   0.00001   0.00004   0.00004   2.08500
   A224       2.07871  -0.00002  -0.00016  -0.00006  -0.00022   2.07849
   A225       2.05469  -0.00001   0.00010  -0.00003   0.00007   2.05475
   A226       2.11640   0.00002   0.00023   0.00007   0.00030   2.11669
   A227       2.11209  -0.00001  -0.00033  -0.00004  -0.00037   2.11172
   A228       2.05445  -0.00001   0.00006   0.00001   0.00007   2.05451
   A229       2.11675   0.00002   0.00025   0.00006   0.00032   2.11706
   A230       2.11198  -0.00001  -0.00031  -0.00008  -0.00039   2.11159
   A231       2.11960   0.00002   0.00017   0.00002   0.00018   2.11978
   A232       2.07856  -0.00002  -0.00019  -0.00003  -0.00022   2.07834
   A233       2.08502   0.00000   0.00003   0.00001   0.00004   2.08506
   A234       2.10448  -0.00002  -0.00021  -0.00002  -0.00023   2.10425
   A235       2.08720  -0.00001  -0.00009   0.00001  -0.00008   2.08712
   A236       2.09149   0.00003   0.00030   0.00001   0.00031   2.09180
   A237       2.07977   0.00001   0.00002  -0.00002   0.00001   2.07978
   A238       2.10060  -0.00004  -0.00030  -0.00001  -0.00030   2.10030
   A239       2.10280   0.00003   0.00027   0.00003   0.00030   2.10310
   A240       2.01779   0.00008  -0.00046   0.00034  -0.00022   2.01756
   A241       1.84618  -0.00006  -0.00150   0.00036  -0.00109   1.84510
   A242       1.72827  -0.00013  -0.00041  -0.00023  -0.00053   1.72774
   A243       2.02601   0.00006   0.00268  -0.00025   0.00243   2.02844
   A244       2.03060   0.00002   0.00084  -0.00010   0.00075   2.03135
   A245       1.77547  -0.00000  -0.00193  -0.00014  -0.00204   1.77343
   A246       2.11398   0.00004   0.00265  -0.00056   0.00174   2.11571
   A247       2.06299  -0.00008  -0.00046   0.00008  -0.00038   2.06261
   A248       1.87772   0.00005  -0.00007   0.00027   0.00028   1.87800
   A249       1.87806  -0.00000  -0.00022   0.00014  -0.00019   1.87787
   A250       1.89555  -0.00006  -0.00066   0.00033  -0.00036   1.89520
   A251       1.95525  -0.00000   0.00060  -0.00034   0.00019   1.95544
   A252       1.96076  -0.00000   0.00037  -0.00044  -0.00009   1.96067
   A253       1.89388   0.00001  -0.00010   0.00008   0.00015   1.89403
   A254       1.91104  -0.00010  -0.00148   0.00055  -0.00092   1.91012
   A255       1.93743   0.00007   0.00082  -0.00031   0.00051   1.93793
   A256       1.93751   0.00001   0.00007   0.00004   0.00011   1.93762
   A257       1.89059   0.00001   0.00014  -0.00005   0.00009   1.89067
   A258       1.89007   0.00003   0.00026  -0.00009   0.00017   1.89024
   A259       1.89597  -0.00002   0.00019  -0.00013   0.00005   1.89603
   A260       1.88127  -0.00002  -0.00011   0.00003  -0.00008   1.88119
   A261       1.89130  -0.00000  -0.00009  -0.00007  -0.00016   1.89114
   A262       1.89399   0.00000  -0.00013   0.00002  -0.00012   1.89387
   A263       1.94691   0.00002   0.00020   0.00006   0.00026   1.94718
   A264       1.95150  -0.00000   0.00007  -0.00006   0.00001   1.95151
   A265       1.89724  -0.00001   0.00005   0.00002   0.00007   1.89731
   A266       1.93700   0.00001   0.00003   0.00005   0.00008   1.93708
   A267       1.91354  -0.00001   0.00001  -0.00004  -0.00003   1.91351
   A268       1.93474  -0.00002  -0.00020   0.00005  -0.00015   1.93459
   A269       1.89201   0.00000   0.00003  -0.00000   0.00003   1.89203
   A270       1.89319   0.00001   0.00011  -0.00002   0.00008   1.89327
   A271       1.89226   0.00001   0.00002  -0.00003  -0.00001   1.89225
   A272       1.88462   0.00007   0.00338   0.00142   0.00514   1.88975
   A273       1.65139  -0.00002   0.00471  -0.00028   0.00460   1.65599
   A274       1.75936  -0.00019  -0.01593  -0.00296  -0.01867   1.74069
   A275       1.81407  -0.00013  -0.00523   0.00034  -0.00489   1.80919
   A276       1.26103  -0.00013  -0.01187  -0.00329  -0.01489   1.24614
   A277       1.34636  -0.00011  -0.00361  -0.00105  -0.00439   1.34198
   A278       0.55908  -0.00001   0.00121  -0.00052   0.00060   0.55967
    D1        0.01185  -0.00001  -0.00033  -0.00022  -0.00058   0.01126
    D2        3.11299  -0.00003  -0.00095  -0.00033  -0.00132   3.11166
    D3       -3.12923  -0.00001  -0.00045  -0.00026  -0.00072  -3.12995
    D4       -0.02808  -0.00003  -0.00107  -0.00037  -0.00146  -0.02955
    D5       -0.03056  -0.00001   0.00006  -0.00015  -0.00008  -0.03064
    D6        3.10592  -0.00001  -0.00028  -0.00047  -0.00074   3.10518
    D7        3.11051  -0.00001   0.00018  -0.00011   0.00006   3.11057
    D8       -0.03619  -0.00001  -0.00016  -0.00043  -0.00060  -0.03679
    D9        2.48335   0.00006   0.00319   0.00090   0.00408   2.48743
   D10       -0.65833   0.00006   0.00300   0.00084   0.00383  -0.65450
   D11       -0.65771   0.00007   0.00306   0.00086   0.00393  -0.65377
   D12        2.48380   0.00006   0.00288   0.00080   0.00369   2.48749
   D13        0.03187   0.00002   0.00049   0.00047   0.00098   0.03285
   D14       -3.02331   0.00002   0.00126   0.00030   0.00144  -3.02187
   D15       -3.06894   0.00004   0.00113   0.00057   0.00173  -3.06721
   D16        0.15906   0.00004   0.00190   0.00040   0.00219   0.16126
   D17       -0.05744  -0.00001  -0.00040  -0.00033  -0.00072  -0.05816
   D18        3.04796  -0.00001   0.00148  -0.00023   0.00119   3.04915
   D19        3.00198  -0.00002  -0.00118  -0.00018  -0.00125   3.00073
   D20       -0.17580  -0.00001   0.00069  -0.00008   0.00066  -0.17514
   D21       -2.91674   0.00001  -0.00746   0.00193  -0.00556  -2.92230
   D22        0.35503   0.00003  -0.00755   0.00177  -0.00588   0.34915
   D23        0.31081   0.00002  -0.00663   0.00174  -0.00503   0.30578
   D24       -2.70061   0.00004  -0.00672   0.00158  -0.00535  -2.70595
   D25        0.03986  -0.00000   0.00017  -0.00003   0.00010   0.03996
   D26       -3.11495  -0.00002  -0.00093   0.00017  -0.00078  -3.11573
   D27       -3.06554  -0.00001  -0.00173  -0.00012  -0.00183  -3.06737
   D28        0.06284  -0.00003  -0.00282   0.00008  -0.00271   0.06013
   D29       -0.38517   0.00005   0.01091  -0.00220   0.00893  -0.37624
   D30        2.82804   0.00005   0.00756  -0.00147   0.00632   2.83435
   D31        2.72013   0.00006   0.01280  -0.00211   0.01085   2.73098
   D32       -0.34985   0.00006   0.00946  -0.00138   0.00824  -0.34161
   D33        0.00491   0.00001   0.00002   0.00027   0.00032   0.00523
   D34       -3.13156   0.00002   0.00036   0.00059   0.00097  -3.13059
   D35       -3.12312   0.00003   0.00115   0.00006   0.00122  -3.12190
   D36        0.02359   0.00003   0.00149   0.00039   0.00187   0.02546
   D37        0.13356  -0.00004   0.00041  -0.00091  -0.00069   0.13288
   D38       -2.91187   0.00000   0.00178  -0.00130   0.00036  -2.91152
   D39       -3.13586  -0.00006   0.00059  -0.00079  -0.00031  -3.13617
   D40        0.10189  -0.00002   0.00196  -0.00118   0.00073   0.10262
   D41        2.98264   0.00000  -0.00106   0.00074  -0.00020   2.98244
   D42       -0.07541   0.00000  -0.00252   0.00124  -0.00121  -0.07662
   D43       -0.03011   0.00002  -0.00123   0.00059  -0.00061  -0.03072
   D44       -3.08817   0.00002  -0.00269   0.00108  -0.00161  -3.08978
   D45       -0.66105   0.00008   0.01005  -0.00100   0.00857  -0.65248
   D46       -3.02120   0.00002  -0.00881   0.00155  -0.00649  -3.02769
   D47        1.17536   0.00004  -0.00287   0.00092  -0.00218   1.17318
   D48        2.38018   0.00004   0.00875  -0.00061   0.00755   2.38773
   D49        0.02004  -0.00002  -0.01011   0.00194  -0.00751   0.01253
   D50       -2.06659  -0.00001  -0.00417   0.00130  -0.00320  -2.06979
   D51       -0.09651   0.00001  -0.00118   0.00087  -0.00029  -0.09680
   D52        3.01682   0.00001  -0.00083   0.00068  -0.00018   3.01664
   D53       -3.13793   0.00006   0.00014   0.00049   0.00077  -3.13716
   D54       -0.02460   0.00006   0.00049   0.00029   0.00088  -0.02373
   D55        0.77991  -0.00005  -0.01532   0.00250  -0.01232   0.76758
   D56       -2.43736  -0.00006  -0.01178   0.00173  -0.00949  -2.44685
   D57       -3.12438  -0.00003   0.00303   0.00028   0.00294  -3.12144
   D58       -0.05846  -0.00004   0.00657  -0.00049   0.00577  -0.05268
   D59       -1.17073   0.00013  -0.00559   0.00195  -0.00360  -1.17433
   D60        1.89519   0.00012  -0.00205   0.00119  -0.00076   1.89442
   D61        2.39000   0.00008   0.01055  -0.00405   0.00612   2.39612
   D62       -1.11024   0.00002   0.01036  -0.00104   0.00928  -1.10096
   D63        0.06406   0.00001  -0.00982  -0.00123  -0.01079   0.05327
   D64        2.84699  -0.00005  -0.01000   0.00178  -0.00762   2.83937
   D65        2.37885   0.00001   0.00679   0.00338   0.01031   2.38916
   D66        1.80878   0.00006   0.00794   0.00441   0.01268   1.82146
   D67       -1.90625   0.00003   0.00801   0.00300   0.01112  -1.89513
   D68       -2.47632   0.00007   0.00916   0.00403   0.01349  -2.46282
   D69        3.09385   0.00001   0.00271   0.00034   0.00314   3.09699
   D70        0.03047   0.00002  -0.00100   0.00116   0.00015   0.03063
   D71       -0.04940  -0.00000  -0.00032   0.00034   0.00002  -0.04938
   D72        3.13234   0.00000  -0.00062   0.00037  -0.00026   3.13208
   D73        3.00914   0.00000   0.00116  -0.00016   0.00105   3.01019
   D74       -0.09230   0.00000   0.00087  -0.00013   0.00077  -0.09153
   D75        0.05661  -0.00001   0.00118  -0.00069   0.00047   0.05708
   D76       -3.10801   0.00000   0.00210  -0.00068   0.00141  -3.10660
   D77       -3.12538  -0.00001   0.00148  -0.00071   0.00076  -3.12463
   D78       -0.00682   0.00000   0.00240  -0.00071   0.00170  -0.00512
   D79        2.48324  -0.00003  -0.00278  -0.00122  -0.00399   2.47925
   D80       -0.65935  -0.00003  -0.00329  -0.00105  -0.00433  -0.66368
   D81       -0.61665  -0.00003  -0.00311  -0.00118  -0.00431  -0.62095
   D82        2.52395  -0.00003  -0.00362  -0.00102  -0.00465   2.51930
   D83        0.01633   0.00001  -0.00044   0.00009  -0.00034   0.01598
   D84       -3.09759   0.00001  -0.00074   0.00026  -0.00044  -3.09803
   D85       -3.10243  -0.00001  -0.00134   0.00008  -0.00127  -3.10370
   D86        0.06683  -0.00001  -0.00164   0.00025  -0.00136   0.06547
   D87       -0.04790   0.00003   0.00811   0.00221   0.01051  -0.03739
   D88        3.13853   0.00001   0.00783   0.00284   0.01086  -3.13379
   D89       -2.82513   0.00009   0.00784  -0.00102   0.00687  -2.81826
   D90        0.36130   0.00007   0.00756  -0.00040   0.00722   0.36852
   D91       -0.95011   0.00007   0.00296   0.00281   0.00530  -0.94481
   D92        2.23632   0.00005   0.00268   0.00344   0.00565   2.24197
   D93        0.15283   0.00010  -0.00751  -0.00219  -0.00971   0.14311
   D94       -2.11519   0.00001  -0.00948  -0.00243  -0.01189  -2.12708
   D95        2.33550   0.00007  -0.00700  -0.00229  -0.00928   2.32622
   D96        2.93512   0.00006  -0.00746   0.00087  -0.00665   2.92848
   D97        0.66710  -0.00003  -0.00944   0.00063  -0.00882   0.65828
   D98       -1.16539   0.00003  -0.00695   0.00077  -0.00621  -1.17160
   D99        0.78043  -0.00003  -0.00109  -0.00349  -0.00458   0.77585
   D100      -1.48759  -0.00012  -0.00307  -0.00374  -0.00676  -1.49435
   D101       2.96310  -0.00006  -0.00058  -0.00360  -0.00415   2.95895
   D102      -1.15592   0.00008   0.01282   0.00081   0.01383  -1.14209
   D103      -1.72953   0.00008   0.01163   0.00135   0.01334  -1.71619
   D104       1.00565   0.00004   0.01058   0.00261   0.01294   1.01859
   D105       0.43203   0.00004   0.00939   0.00315   0.01245   0.44449
   D106       0.01806  -0.00005  -0.00260  -0.00164  -0.00433   0.01373
   D107      -3.10961  -0.00003  -0.00173  -0.00074  -0.00251  -3.11212
   D108       3.11740  -0.00004  -0.00238  -0.00224  -0.00471   3.11268
   D109      -0.01028  -0.00002  -0.00151  -0.00134  -0.00289  -0.01317
   D110       3.11252   0.00003   0.00105   0.00068   0.00177   3.11430
   D111      -0.02624   0.00002   0.00135   0.00060   0.00198  -0.02427
   D112       0.01512   0.00001   0.00084   0.00129   0.00216   0.01727
   D113      -3.12365   0.00001   0.00114   0.00122   0.00236  -3.12129
   D114      -0.00914   0.00002  -0.00095  -0.00006  -0.00107  -0.01021
   D115       3.11901  -0.00000  -0.00179  -0.00093  -0.00284   3.11618
   D116      -0.00165   0.00000   0.00087   0.00045   0.00133  -0.00032
   D117       3.11335   0.00000   0.00087   0.00002   0.00089   3.11424
   D118      -3.13011   0.00003   0.00169   0.00129   0.00306  -3.12705
   D119      -0.01510   0.00003   0.00169   0.00087   0.00261  -0.01249
   D120      -0.00832   0.00000   0.00053  -0.00034   0.00018  -0.00814
   D121       3.11155   0.00000   0.00113  -0.00049   0.00062   3.11217
   D122       3.13052   0.00001   0.00022  -0.00027  -0.00002   3.13049
   D123      -0.03280   0.00001   0.00082  -0.00042   0.00042  -0.03239
   D124      -0.00377  -0.00001  -0.00117  -0.00058  -0.00177  -0.00554
   D125      -3.14118  -0.00001  -0.00120  -0.00015  -0.00136   3.14064
   D126      -3.12334  -0.00001  -0.00179  -0.00042  -0.00222  -3.12556
   D127       0.02243  -0.00002  -0.00182   0.00001  -0.00181   0.02062
   D128       0.00867   0.00001   0.00047   0.00052   0.00100   0.00967
   D129      -3.10497   0.00001   0.00046   0.00096   0.00146  -3.10351
   D130      -3.13710   0.00001   0.00050   0.00009   0.00059  -3.13651
   D131       0.03244   0.00001   0.00049   0.00054   0.00105   0.03349
   D132       0.61297   0.00002   0.00193   0.00029   0.00222   0.61519
   D133      -2.52979   0.00003   0.00231   0.00043   0.00274  -2.52706
   D134      -2.52424   0.00002   0.00190   0.00074   0.00264  -2.52159
   D135       0.61618   0.00003   0.00228   0.00088   0.00316   0.61935
   D136      -3.13203  -0.00000   0.00004  -0.00014  -0.00010  -3.13213
   D137      -0.03594  -0.00000   0.00007  -0.00033  -0.00026  -0.03620
   D138       0.00965   0.00000   0.00022  -0.00009   0.00014   0.00979
   D139       3.10574   0.00000   0.00025  -0.00027  -0.00002   3.10571
   D140      -3.13515   0.00000  -0.00005   0.00007   0.00002  -3.13513
   D141      -0.03848  -0.00000  -0.00010  -0.00014  -0.00024  -0.03872
   D142       0.00636  -0.00000  -0.00023   0.00001  -0.00022   0.00614
   D143       3.10302  -0.00001  -0.00029  -0.00019  -0.00048   3.10255
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   D193       0.96039  -0.00010  -0.00441  -0.00203  -0.00644   0.95395
   D194       0.95841  -0.00010  -0.00453  -0.00213  -0.00665   0.95176
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   D199       0.00689  -0.00000  -0.00058   0.00024  -0.00034   0.00655
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   D206       3.11222  -0.00001  -0.00066  -0.00006  -0.00072   3.11150
   D207      -0.02908  -0.00001  -0.00075  -0.00014  -0.00089  -0.02997
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   D210       3.13489   0.00001   0.00012   0.00010   0.00022   3.13511
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   D212       2.17475   0.00010   0.00593   0.00161   0.00755   2.18230
   D213      -0.96778   0.00010   0.00593   0.00167   0.00760  -0.96018
   D214      -0.96654   0.00009   0.00585   0.00152   0.00737  -0.95917
   D215       2.17411   0.00010   0.00585   0.00158   0.00743   2.18154
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   D225       0.02711   0.00003   0.00107   0.00027   0.00133   0.02844
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   D229       0.03311   0.00001   0.00101   0.00022   0.00123   0.03433
   D230      -0.00050  -0.00000  -0.00014   0.00020   0.00006  -0.00044
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   D232       3.13955  -0.00000   0.00011  -0.00010   0.00001   3.13956
   D233       0.03028   0.00001   0.00108   0.00010   0.00118   0.03145
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   D237      -0.02958  -0.00002  -0.00126  -0.00023  -0.00149  -0.03106
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   D239       3.11282  -0.00002  -0.00126  -0.00027  -0.00154   3.11129
   D240      -3.14014  -0.00000  -0.00019   0.00008  -0.00011  -3.14024
   D241      -0.02765  -0.00003  -0.00172  -0.00021  -0.00194  -0.02959
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   D244       0.00191  -0.00000  -0.00001  -0.00014  -0.00016   0.00175
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   D246       3.11385  -0.00001  -0.00092  -0.00023  -0.00115   3.11270
   D247      -0.01958   0.00002   0.00028   0.00016   0.00045  -0.01913
   D248       3.12328  -0.00002  -0.00109  -0.00018  -0.00127   3.12202
   D249      -0.01136  -0.00001  -0.00049  -0.00011  -0.00060  -0.01196
   D250       0.01802  -0.00001   0.00003  -0.00007  -0.00004   0.01798
   D251      -3.11662  -0.00000   0.00063  -0.00001   0.00063  -3.11600
   D252      -0.00257   0.00000   0.00016   0.00003   0.00019  -0.00238
   D253       3.12983  -0.00003  -0.00148  -0.00041  -0.00189   3.12794
   D254       3.12921  -0.00003  -0.00128  -0.00044  -0.00172   3.12749
   D255      -0.02157  -0.00006  -0.00293  -0.00088  -0.00381  -0.02538
   D256       0.00704  -0.00002  -0.00049  -0.00020  -0.00069   0.00635
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   D258      -3.12377   0.00002   0.00110   0.00032   0.00142  -3.12235
   D259       0.01187   0.00003   0.00147   0.00044   0.00191   0.01377
   D260       0.00231  -0.00000  -0.00025   0.00009  -0.00016   0.00215
   D261       3.11462  -0.00001  -0.00112  -0.00008  -0.00120   3.11342
   D262      -3.13163   0.00002   0.00112   0.00046   0.00158  -3.13005
   D263      -0.01933   0.00002   0.00026   0.00028   0.00054  -0.01879
   D264      -3.12459   0.00002   0.00138   0.00022   0.00159  -3.12300
   D265       0.01129   0.00003   0.00171   0.00040   0.00211   0.01340
   D266       0.00690  -0.00002  -0.00044  -0.00026  -0.00070   0.00620
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   D268       3.12360  -0.00002  -0.00106  -0.00036  -0.00142   3.12219
   D269      -0.01171  -0.00001  -0.00070  -0.00029  -0.00098  -0.01270
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   D281       3.12996  -0.00003  -0.00094  -0.00048  -0.00142   3.12854
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   D347      -0.00652   0.00001   0.00035   0.00021   0.00056  -0.00596
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   D359      -0.00588   0.00001   0.00037   0.00010   0.00047  -0.00542
   D360      -0.00408  -0.00000  -0.00024  -0.00001  -0.00025  -0.00432
   D361       3.13190  -0.00002  -0.00081  -0.00012  -0.00093   3.13097
   D362       3.14066  -0.00001  -0.00037  -0.00001  -0.00037   3.14029
   D363      -0.00655  -0.00002  -0.00094  -0.00012  -0.00106  -0.00760
   D364      -0.00413  -0.00000  -0.00019  -0.00003  -0.00022  -0.00434
   D365       3.14106  -0.00001  -0.00024  -0.00003  -0.00026   3.14080
   D366       3.13078  -0.00001  -0.00076  -0.00005  -0.00081   3.12998
   D367      -0.00721  -0.00002  -0.00080  -0.00005  -0.00085  -0.00807
   D368      -0.00699  -0.00000  -0.00031   0.00001  -0.00029  -0.00729
   D369       3.13902   0.00001   0.00033   0.00010   0.00043   3.13946
   D370       3.13099  -0.00000  -0.00026   0.00001  -0.00024   3.13075
   D371      -0.00618   0.00001   0.00038   0.00010   0.00048  -0.00570
   D372       0.00573   0.00001   0.00049   0.00010   0.00059   0.00632
   D373      -3.13021   0.00000   0.00015  -0.00002   0.00014  -3.13007
   D374      -3.14030  -0.00000  -0.00015   0.00001  -0.00013  -3.14043
   D375       0.00695  -0.00001  -0.00049  -0.00010  -0.00059   0.00636
   D376      -0.00539  -0.00001  -0.00054  -0.00009  -0.00064  -0.00603
   D377       3.14030   0.00000   0.00004  -0.00000   0.00004   3.14034
   D378       3.13077  -0.00000  -0.00032   0.00006  -0.00026   3.13052
   D379      -0.00673   0.00001   0.00027   0.00015   0.00042  -0.00631
   D380       0.00670   0.00000   0.00033  -0.00002   0.00031   0.00702
   D381      -3.13163   0.00000   0.00023   0.00001   0.00024  -3.13139
   D382      -3.13897  -0.00001  -0.00026  -0.00011  -0.00036  -3.13933
   D383       0.00589  -0.00001  -0.00035  -0.00008  -0.00044   0.00545
   D384       0.00394   0.00000   0.00024   0.00002   0.00026   0.00420
   D385      -3.13180   0.00001   0.00077   0.00011   0.00088  -3.13092
   D386      -3.14090   0.00001   0.00034  -0.00001   0.00033  -3.14057
   D387       0.00654   0.00001   0.00086   0.00009   0.00095   0.00749
   D388       0.00403   0.00000   0.00026  -0.00003   0.00023   0.00426
   D389      -3.14070   0.00000   0.00031  -0.00000   0.00031  -3.14039
   D390      -3.13201   0.00001   0.00076   0.00011   0.00087  -3.13114
   D391       0.00644   0.00002   0.00081   0.00014   0.00095   0.00739
   D392       0.00660   0.00000   0.00029   0.00003   0.00032   0.00692
   D393      -3.13891  -0.00001  -0.00028  -0.00009  -0.00037  -3.13928
   D394      -3.13184   0.00000   0.00025  -0.00000   0.00024  -3.13160
   D395       0.00583  -0.00001  -0.00033  -0.00012  -0.00045   0.00538
   D396      -0.00538  -0.00001  -0.00054  -0.00008  -0.00062  -0.00600
   D397       3.13084  -0.00000  -0.00013  -0.00003  -0.00016   3.13068
   D398       3.14014   0.00000   0.00004   0.00004   0.00007   3.14022
   D399      -0.00682   0.00001   0.00045   0.00009   0.00053  -0.00628
   D400       1.67062   0.00010  -0.01758  -0.00544  -0.02324   1.64738
   D401      -0.59262   0.00000  -0.01771  -0.00602  -0.02387  -0.61649
   D402      -2.81473  -0.00006  -0.01908  -0.00563  -0.02480  -2.83952
   D403      -3.08620  -0.00008  -0.00031  -0.00131  -0.00157  -3.08777
   D404      -0.91251  -0.00007  -0.00070  -0.00111  -0.00182  -0.91434
   D405       1.30662   0.00002   0.00182  -0.00160   0.00019   1.30681
   D406       2.66948   0.00003   0.01552   0.00652   0.02199   2.69147
   D407      -1.50384   0.00005   0.01607   0.00634   0.02227  -1.48157
   D408       0.54303   0.00004   0.01551   0.00670   0.02215   0.56518
   D409       3.00859  -0.00002   0.00119   0.00033   0.00152   3.01011
   D410      -1.16517  -0.00000   0.00131   0.00038   0.00170  -1.16347
   D411       0.89211  -0.00001   0.00125   0.00038   0.00163   0.89373
   D412       3.11004   0.00002   0.00122   0.00024   0.00140   3.11145
   D413      -1.08662   0.00002   0.00095   0.00033   0.00124  -1.08539
   D414       1.02411   0.00004   0.00179  -0.00003   0.00172   1.02583
   D415       1.04940  -0.00001   0.00118   0.00009   0.00136   1.05075
   D416       3.13591  -0.00001   0.00092   0.00019   0.00119   3.13710
   D417      -1.03654   0.00001   0.00176  -0.00017   0.00167  -1.03486
   D418      -1.08778  -0.00002   0.00056   0.00056   0.00109  -1.08669
   D419       0.99874  -0.00003   0.00030   0.00066   0.00092   0.99966
   D420       3.10947  -0.00001   0.00114   0.00030   0.00140   3.11088
   D421       1.28723  -0.00003   0.01183   0.00094   0.01284   1.30007
   D422      -2.93551   0.00004   0.01194   0.00116   0.01317  -2.92234
   D423      -0.76073   0.00004   0.01276   0.00043   0.01328  -0.74745
   D424      -1.37901  -0.00004  -0.01015  -0.00147  -0.01147  -1.39048
   D425       2.82924  -0.00006  -0.00984  -0.00176  -0.01152   2.81772
   D426       0.65773  -0.00007  -0.01080  -0.00108  -0.01181   0.64593
   D427       1.04691   0.00000   0.00090   0.00014   0.00105   1.04796
   D428       3.13653   0.00001   0.00097   0.00014   0.00111   3.13764
   D429      -1.05814   0.00000   0.00088   0.00011   0.00099  -1.05715
   D430      -1.02733   0.00001   0.00097   0.00017   0.00114  -1.02619
   D431       1.06229   0.00001   0.00104   0.00017   0.00120   1.06349
   D432      -3.13238   0.00001   0.00094   0.00014   0.00108  -3.13130
   D433       3.12713  -0.00000   0.00071   0.00015   0.00086   3.12799
   D434      -1.06643  -0.00000   0.00078   0.00015   0.00092  -1.06551
   D435       1.02208  -0.00000   0.00068   0.00011   0.00080   1.02288
   D436      -1.30923  -0.00008  -0.02135  -0.00568  -0.02666  -1.33589
   D437      -1.22230  -0.00003  -0.01776  -0.00384  -0.02172  -1.24402
   D438       0.41956  -0.00001  -0.00610  -0.00032  -0.00625   0.41331
   D439       1.13875  -0.00012  -0.01558  -0.00586  -0.02113   1.11762
   D440       0.94472  -0.00004  -0.01035  -0.00412  -0.01459   0.93013
   D441      -0.39950   0.00005   0.00608   0.00049   0.00650  -0.39299
         Item               Value     Threshold  Converged?
 Maximum Force            0.000692     0.000450     NO 
 RMS     Force            0.000059     0.000300     YES
 Maximum Displacement     0.168012     0.001800     NO 
 RMS     Displacement     0.028166     0.001200     NO 
 Predicted change in Energy=-1.480166D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.821264    2.894073    0.537348
      2          6           0       -2.058182    1.519478    0.663404
      3          6           0       -1.012657    0.588444    0.697692
      4          6           0        0.315351    1.060177    0.642437
      5          6           0        0.561329    2.430008    0.484814
      6          6           0       -0.488323    3.334175    0.429704
      7          6           0       -1.235897   -0.870844    0.681707
      8          6           0       -0.169091   -1.754262    0.984363
      9          6           0        1.124339   -1.177221    1.484326
     10          6           0        1.439089    0.121790    0.793326
     11          6           0       -2.445170   -1.404237    0.221825
     12          6           0       -2.630067   -2.777180    0.014690
     13          6           0       -1.530707   -3.621453    0.226998
     14          6           0       -0.324890   -3.114410    0.693131
     15          7           0        2.229181   -2.067503    1.647006
     16          6           0        3.526408   -1.654726    1.220556
     17          6           0        3.677534   -0.390780    0.605033
     18          7           0        2.616619    0.476529    0.410941
     19          6           0        4.667739   -2.464755    1.332073
     20          6           0        5.901942   -2.024913    0.870995
     21          6           0        6.070714   -0.765369    0.266929
     22          6           0        4.933037    0.029841    0.142668
     23          6           0       -2.946215    3.860562    0.518332
     24          6           0       -3.930271   -3.305674   -0.462178
     25          6           0        7.394764   -0.309016   -0.219380
     26          6           0       -3.993814   -4.370297   -1.377177
     27          6           0       -5.213883   -4.860391   -1.831858
     28          6           0       -6.413777   -4.307959   -1.365343
     29          6           0       -6.367429   -3.252971   -0.445062
     30          6           0       -5.142396   -2.756654   -0.010416
     31          6           0       -2.834420    5.113091    1.145827
     32          6           0       -3.889365    6.020322    1.141663
     33          6           0       -5.087247    5.705215    0.487827
     34          6           0       -5.210938    4.465258   -0.151577
     35          6           0       -4.157381    3.556744   -0.126272
     36          6           0        8.313486   -1.211188   -0.782149
     37          6           0        9.553425   -0.784833   -1.248198
     38          6           0        9.918124    0.563520   -1.148134
     39          6           0        9.017050    1.474246   -0.582350
     40          6           0        7.773076    1.041655   -0.133595
     41          7           0       -6.162292    6.630931    0.472466
     42          7           0       -7.659624   -4.810826   -1.819286
     43          7           0       11.184936    1.001472   -1.614411
     44          6           0       -8.069278   -6.149884   -1.773861
     45          6           0       -9.373820   -6.251016   -2.320498
     46          6           0       -9.769012   -4.915141   -2.715682
     47          6           0       -8.690564   -4.053576   -2.390936
     48          6           0       -7.473281    6.371570    0.891755
     49          6           0       -8.252240    7.544102    0.719832
     50          6           0       -7.373711    8.555492    0.170150
     51          6           0       -6.094496    7.958948    0.032472
     52          6           0       11.407035    2.025179   -2.543938
     53          6           0       12.803114    2.164702   -2.750781
     54          6           0       13.452968    1.183614   -1.906996
     55          6           0       12.425988    0.484463   -1.222855
     56          6           0      -10.917674   -4.386806   -3.315982
     57          6           0      -10.974164   -3.023486   -3.589137
     58          6           0       -9.890213   -2.186463   -3.274750
     59          6           0       -8.735694   -2.686165   -2.676232
     60          6           0       -7.402937   -7.266009   -1.260525
     61          6           0       -8.055260   -8.495461   -1.322093
     62          6           0       -9.341487   -8.616169   -1.874751
     63          6           0      -10.006005   -7.498690   -2.370905
     64          6           0       -7.559571    9.886696   -0.220176
     65          6           0       -6.483154   10.596595   -0.743502
     66          6           0       -5.225937    9.985410   -0.886530
     67          6           0       -5.013215    8.662507   -0.505166
     68          6           0       -8.016709    5.205913    1.438749
     69          6           0       -9.363555    5.223607    1.794324
     70          6           0      -10.153640    6.372064    1.617011
     71          6           0       -9.603441    7.534171    1.084768
     72          6           0       14.791248    0.850391   -1.668233
     73          6           0       15.086787   -0.158386   -0.756304
     74          6           0       14.057237   -0.831115   -0.076492
     75          6           0       12.717117   -0.520200   -0.295925
     76          6           0       10.482342    2.810459   -3.237885
     77          6           0       10.977832    3.756582   -4.132306
     78          6           0       12.358444    3.918012   -4.338854
     79          6           0       13.273892    3.123934   -3.654873
     80          8           0        0.737373   -3.539288    3.413298
     81         15           0        2.077150   -3.367587    2.823606
     82          8           0        3.284845   -3.161110    3.857344
     83          8           0        2.625082   -4.586493    1.924205
     84          6           0        3.098319   -2.415151    5.102824
     85          6           0        4.124932   -2.918846    6.096672
     86          6           0        2.613679   -5.926274    2.499692
     87          6           0        2.993858   -6.903226    1.405527
     88          1           0       -3.080823    1.177168    0.774996
     89          1           0        1.590173    2.765096    0.420678
     90          1           0       -0.280537    4.391125    0.296914
     91          1           0       -3.245741   -0.728979   -0.056437
     92          1           0       -1.622126   -4.687428    0.046435
     93          1           0        0.507125   -3.794599    0.803081
     94          1           0        4.605226   -3.445564    1.776034
     95          1           0        6.761118   -2.674778    1.004023
     96          1           0        4.968806    0.999320   -0.342129
     97          1           0       -3.075199   -4.793781   -1.771018
     98          1           0       -5.244052   -5.658167   -2.566345
     99          1           0       -7.293456   -2.841762   -0.057515
    100          1           0       -5.125506   -1.958230    0.724924
    101          1           0       -1.923628    5.363431    1.680642
    102          1           0       -3.798940    6.967847    1.662169
    103          1           0       -6.126021    4.228728   -0.684128
    104          1           0       -4.261536    2.612220   -0.651168
    105          1           0        8.038686   -2.255374   -0.894938
    106          1           0       10.236448   -1.489199   -1.711220
    107          1           0        9.305289    2.514924   -0.477862
    108          1           0        7.098725    1.757502    0.325931
    109          1           0      -11.751809   -5.034862   -3.569341
    110          1           0      -11.860226   -2.601509   -4.053146
    111          1           0       -9.949325   -1.126723   -3.504747
    112          1           0       -7.899912   -2.034742   -2.446697
    113          1           0       -6.415001   -7.180269   -0.822109
    114          1           0       -7.557148   -9.377438   -0.930333
    115          1           0       -9.820912   -9.589550   -1.909333
    116          1           0      -11.004860   -7.591156   -2.787668
    117          1           0       -8.533583   10.357007   -0.119663
    118          1           0       -6.614508   11.630132   -1.048593
    119          1           0       -4.400493   10.553135   -1.305824
    120          1           0       -4.042367    8.195597   -0.628059
    121          1           0       -7.411562    4.318819    1.588851
    122          1           0       -9.808780    4.329488    2.220696
    123          1           0      -11.200732    6.351620    1.902849
    124          1           0      -10.212511    8.424661    0.958070
    125          1           0       15.588375    1.376721   -2.185506
    126          1           0       16.120937   -0.426600   -0.563563
    127          1           0       14.308565   -1.609035    0.638508
    128          1           0       11.928983   -1.037274    0.239985
    129          1           0        9.415235    2.685750   -3.091532
    130          1           0       10.278904    4.379614   -4.682581
    131          1           0       12.711316    4.666353   -5.041707
    132          1           0       14.340507    3.242732   -3.822876
    133          1           0        3.233023   -1.354806    4.876070
    134          1           0        2.074291   -2.568231    5.450257
    135          1           0        4.032228   -2.357980    7.032089
    136          1           0        3.972365   -3.979608    6.315128
    137          1           0        5.140486   -2.783382    5.714210
    138          1           0        3.329041   -5.951713    3.328367
    139          1           0        1.612976   -6.126514    2.893743
    140          1           0        3.989922   -6.682514    1.012218
    141          1           0        2.998640   -7.921387    1.806941
    142          1           0        2.278160   -6.860699    0.580115
    143         17           0        0.743518   -0.367135    3.380747
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0178320           0.0073948           0.0058101
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13522.0160171769 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.74D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    0.999999   -0.000933   -0.000219    0.000581 Ang=  -0.13 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.68065104     A.U. after   10 cycles
            NFock= 10  Conv=0.64D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000112996    0.000143134   -0.000006450
      2        6           0.000055206   -0.000100300   -0.000007131
      3        6          -0.000027346    0.000084343    0.000029302
      4        6           0.000028097   -0.000068849   -0.000036832
      5        6           0.000008027   -0.000036697   -0.000016938
      6        6          -0.000011349   -0.000023577    0.000052671
      7        6           0.000080650   -0.000039739   -0.000039435
      8        6           0.000060404    0.000043849    0.000262353
      9        6           0.000367817    0.000012126    0.000757081
     10        6           0.000181941   -0.000076308   -0.000226402
     11        6           0.000008647    0.000063322   -0.000034903
     12        6           0.000025297   -0.000096277    0.000002568
     13        6          -0.000083692    0.000012534   -0.000057273
     14        6           0.000083337    0.000106041    0.000117009
     15        7          -0.000934265    0.000153057   -0.000265345
     16        6           0.000381729    0.000332679   -0.000106377
     17        6           0.000390320   -0.000268026    0.000174015
     18        7          -0.000439794    0.000094496    0.000081864
     19        6          -0.000161747   -0.000055669   -0.000034678
     20        6           0.000043217    0.000121641   -0.000024360
     21        6           0.000114656   -0.000106487    0.000027976
     22        6          -0.000188221   -0.000019764    0.000004548
     23        6           0.000156579   -0.000064325    0.000014946
     24        6           0.000041801    0.000033630   -0.000000203
     25        6          -0.000029513   -0.000025219    0.000006654
     26        6           0.000000880   -0.000013199    0.000004500
     27        6          -0.000009774   -0.000009631   -0.000000232
     28        6           0.000019695    0.000002865   -0.000000013
     29        6          -0.000004921    0.000012199    0.000000486
     30        6          -0.000022938   -0.000003460   -0.000007930
     31        6          -0.000032289    0.000040987   -0.000040791
     32        6           0.000049179    0.000034457   -0.000045004
     33        6          -0.000154155    0.000082381    0.000013569
     34        6           0.000020819   -0.000076747    0.000036844
     35        6          -0.000071818   -0.000000195    0.000029853
     36        6           0.000002491    0.000012226   -0.000003647
     37        6           0.000021012   -0.000017555    0.000049844
     38        6           0.000080047    0.000048157   -0.000033881
     39        6          -0.000042166    0.000010545   -0.000041276
     40        6           0.000022239    0.000010372    0.000003953
     41        7           0.000218612   -0.000091514   -0.000016104
     42        7           0.000002161   -0.000006291    0.000016657
     43        7          -0.000125605   -0.000081241    0.000055714
     44        6           0.000007121   -0.000006791   -0.000035645
     45        6           0.000044757    0.000005475   -0.000067030
     46        6          -0.000030117    0.000002629    0.000078081
     47        6          -0.000027726   -0.000004297    0.000011521
     48        6          -0.000115709   -0.000046973   -0.000093078
     49        6           0.000006165   -0.000061544   -0.000084890
     50        6           0.000046664    0.000038649    0.000087322
     51        6          -0.000032800    0.000103341    0.000105235
     52        6           0.000009323    0.000113427    0.000038986
     53        6          -0.000040739    0.000051463    0.000072143
     54        6           0.000007903   -0.000080902   -0.000060145
     55        6           0.000080716   -0.000042713   -0.000086441
     56        6           0.000019375    0.000008680   -0.000036831
     57        6           0.000006116    0.000002757    0.000008878
     58        6          -0.000006820   -0.000011199   -0.000015856
     59        6           0.000015205    0.000000486    0.000003786
     60        6           0.000005689    0.000008538    0.000007593
     61        6          -0.000016045   -0.000003807    0.000000678
     62        6           0.000002127    0.000008776   -0.000004322
     63        6          -0.000010943   -0.000002960    0.000041496
     64        6          -0.000005183   -0.000022585   -0.000040107
     65        6           0.000016632   -0.000003092   -0.000001516
     66        6          -0.000028070    0.000007799   -0.000009999
     67        6           0.000005487   -0.000020562   -0.000016037
     68        6           0.000020533    0.000009404    0.000012175
     69        6          -0.000023557    0.000014927    0.000009541
     70        6           0.000013065   -0.000008870   -0.000001288
     71        6           0.000010447    0.000016743    0.000040005
     72        6          -0.000011548    0.000025645    0.000036369
     73        6          -0.000007602   -0.000007725    0.000003046
     74        6           0.000014357    0.000021259   -0.000001867
     75        6          -0.000018011    0.000006853    0.000015760
     76        6          -0.000002026   -0.000017316   -0.000001437
     77        6           0.000022426    0.000004819   -0.000014875
     78        6          -0.000011214   -0.000006555    0.000003595
     79        6           0.000005237   -0.000028913   -0.000028203
     80        8           0.000070983   -0.000012318   -0.000072408
     81       15          -0.000225095    0.000064638    0.000071676
     82        8          -0.000002745    0.000074234    0.000141207
     83        8          -0.000013666   -0.000007203   -0.000088910
     84        6           0.000060471    0.000068462   -0.000160047
     85        6          -0.000002939    0.000006186    0.000020390
     86        6           0.000019875    0.000000155    0.000027809
     87        6          -0.000007409    0.000004532   -0.000003774
     88        1           0.000017880   -0.000010694    0.000031796
     89        1           0.000011460    0.000004809    0.000009458
     90        1           0.000005749   -0.000000632   -0.000013751
     91        1           0.000009640    0.000012378   -0.000037406
     92        1          -0.000016049   -0.000012744    0.000021629
     93        1           0.000006932   -0.000013820    0.000035157
     94        1          -0.000029670   -0.000028113   -0.000012147
     95        1           0.000003580    0.000006273   -0.000003586
     96        1           0.000019585    0.000005187   -0.000005408
     97        1           0.000012822    0.000016529    0.000003261
     98        1          -0.000008588   -0.000004981    0.000004488
     99        1          -0.000002289   -0.000004961   -0.000009209
    100        1           0.000013277    0.000005289    0.000007273
    101        1          -0.000002619   -0.000004120    0.000005749
    102        1          -0.000001155   -0.000006150   -0.000000153
    103        1           0.000003538    0.000005952    0.000000265
    104        1           0.000001446    0.000003107   -0.000003845
    105        1          -0.000010417   -0.000001695   -0.000000875
    106        1           0.000002750    0.000009586    0.000002465
    107        1           0.000006779   -0.000003657   -0.000000411
    108        1          -0.000010892   -0.000009443    0.000001473
    109        1           0.000000238    0.000000387    0.000008175
    110        1           0.000005132    0.000000698   -0.000003548
    111        1          -0.000000760   -0.000002963    0.000006572
    112        1           0.000002940   -0.000004980    0.000002617
    113        1          -0.000001804    0.000007659   -0.000003726
    114        1           0.000001325    0.000003321   -0.000005312
    115        1          -0.000000765    0.000002470    0.000005668
    116        1           0.000004324    0.000003231   -0.000005027
    117        1           0.000003506   -0.000001803    0.000005486
    118        1           0.000001861   -0.000003113   -0.000001258
    119        1           0.000000378   -0.000002901    0.000005263
    120        1          -0.000007143    0.000000344    0.000000446
    121        1          -0.000005950    0.000005116    0.000000813
    122        1           0.000002483    0.000001992   -0.000005897
    123        1           0.000003792    0.000000035    0.000001170
    124        1           0.000003754   -0.000001490   -0.000006045
    125        1          -0.000004097   -0.000004609   -0.000004885
    126        1          -0.000003388    0.000000768    0.000002242
    127        1          -0.000002566   -0.000001062   -0.000005144
    128        1          -0.000003330   -0.000001929   -0.000008663
    129        1           0.000002974   -0.000000532   -0.000000507
    130        1           0.000000309   -0.000000600    0.000006262
    131        1          -0.000001131   -0.000003569   -0.000000477
    132        1          -0.000002492   -0.000000494    0.000004494
    133        1          -0.000083152   -0.000061676   -0.000048015
    134        1           0.000054011   -0.000019801    0.000043036
    135        1          -0.000001613   -0.000004352   -0.000014578
    136        1           0.000001975   -0.000006017    0.000000642
    137        1          -0.000002895    0.000000084   -0.000000770
    138        1           0.000001457   -0.000001681   -0.000006133
    139        1           0.000002855    0.000001506    0.000004688
    140        1          -0.000000424   -0.000003589   -0.000001560
    141        1          -0.000001305    0.000001990    0.000001705
    142        1           0.000001021    0.000002698    0.000003757
    143       17           0.000111743   -0.000320759   -0.000627501
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000934265 RMS     0.000094563

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000654264 RMS     0.000048273
 Search for a local minimum.
 Step number  24 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   18   19   20   21   22
                                                     23   24
 DE= -1.30D-05 DEPred=-1.48D-05 R= 8.81D-01
 TightC=F SS=  1.41D+00  RLast= 1.17D-01 DXNew= 2.0182D+00 3.5016D-01
 Trust test= 8.81D-01 RLast= 1.17D-01 DXMaxT set to 1.20D+00
 ITU=  1  1  1  1  1 -1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  0  0  1  0
     Eigenvalues ---    0.00088   0.00309   0.00418   0.00420   0.00711
     Eigenvalues ---    0.00840   0.01573   0.01603   0.01695   0.02278
     Eigenvalues ---    0.02422   0.02557   0.02609   0.02621   0.02675
     Eigenvalues ---    0.02705   0.02708   0.02714   0.02718   0.02722
     Eigenvalues ---    0.02726   0.02729   0.02732   0.02735   0.02750
     Eigenvalues ---    0.02760   0.02769   0.02771   0.02774   0.02774
     Eigenvalues ---    0.02777   0.02780   0.02785   0.02786   0.02787
     Eigenvalues ---    0.02789   0.02791   0.02791   0.02792   0.02792
     Eigenvalues ---    0.02792   0.02793   0.02795   0.02796   0.02801
     Eigenvalues ---    0.02802   0.02802   0.02803   0.02804   0.02806
     Eigenvalues ---    0.02807   0.02807   0.02808   0.02809   0.02810
     Eigenvalues ---    0.02811   0.02812   0.02815   0.02817   0.02817
     Eigenvalues ---    0.02818   0.02818   0.02819   0.02819   0.02821
     Eigenvalues ---    0.02828   0.02835   0.02841   0.02844   0.02844
     Eigenvalues ---    0.02845   0.02845   0.02846   0.02847   0.02849
     Eigenvalues ---    0.02854   0.02862   0.02865   0.02868   0.02868
     Eigenvalues ---    0.02869   0.02872   0.02873   0.02874   0.02876
     Eigenvalues ---    0.02877   0.02877   0.02878   0.02878   0.02879
     Eigenvalues ---    0.02882   0.02884   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02886   0.02886   0.02887   0.02892
     Eigenvalues ---    0.02892   0.02894   0.02896   0.02897   0.02898
     Eigenvalues ---    0.02898   0.02898   0.02899   0.02900   0.02905
     Eigenvalues ---    0.02909   0.02910   0.02927   0.02941   0.02942
     Eigenvalues ---    0.02956   0.03000   0.03024   0.03026   0.03027
     Eigenvalues ---    0.03129   0.03133   0.03134   0.03135   0.03150
     Eigenvalues ---    0.03161   0.03208   0.03254   0.03500   0.03585
     Eigenvalues ---    0.04031   0.04630   0.04761   0.05376   0.05554
     Eigenvalues ---    0.05579   0.05610   0.05726   0.05728   0.05749
     Eigenvalues ---    0.07403   0.08927   0.09466   0.10505   0.11090
     Eigenvalues ---    0.11430   0.11658   0.12555   0.13660   0.15238
     Eigenvalues ---    0.15609   0.15787   0.15903   0.15937   0.15971
     Eigenvalues ---    0.15982   0.15986   0.15986   0.15987   0.15988
     Eigenvalues ---    0.15992   0.15994   0.15996   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16002   0.16004
     Eigenvalues ---    0.16007   0.16009   0.16030   0.16059   0.16110
     Eigenvalues ---    0.16173   0.16654   0.17349   0.18735   0.19889
     Eigenvalues ---    0.20863   0.21984   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22001   0.22002
     Eigenvalues ---    0.22013   0.22387   0.22414   0.22505   0.22601
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22603   0.22697
     Eigenvalues ---    0.22953   0.22968   0.22985   0.23159   0.23271
     Eigenvalues ---    0.23436   0.23521   0.23713   0.23980   0.24000
     Eigenvalues ---    0.24195   0.24478   0.24487   0.24490   0.24493
     Eigenvalues ---    0.24527   0.24536   0.24772   0.24868   0.24970
     Eigenvalues ---    0.24986   0.24986   0.24987   0.24987   0.24988
     Eigenvalues ---    0.24992   0.24996   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25002   0.25004   0.25008   0.25019
     Eigenvalues ---    0.25058   0.25112   0.25436   0.26386   0.27964
     Eigenvalues ---    0.28221   0.29145   0.29778   0.29788   0.30530
     Eigenvalues ---    0.32016   0.32098   0.32128   0.32141   0.32148
     Eigenvalues ---    0.32156   0.32178   0.32218   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33295   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33458   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33634   0.33638
     Eigenvalues ---    0.33641   0.33643   0.33646   0.33663   0.33702
     Eigenvalues ---    0.33722   0.33741   0.33820   0.33830   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33922   0.33941
     Eigenvalues ---    0.33947   0.33955   0.33960   0.34454   0.34481
     Eigenvalues ---    0.34810   0.34921   0.35054   0.38238   0.40934
     Eigenvalues ---    0.41765   0.43042   0.44425   0.44431   0.44439
     Eigenvalues ---    0.44446   0.45433   0.46840   0.48729   0.48950
     Eigenvalues ---    0.48973   0.49071   0.49252   0.49463   0.49799
     Eigenvalues ---    0.49810   0.49828   0.49851   0.49915   0.49939
     Eigenvalues ---    0.50017   0.50167   0.50395   0.50408   0.50459
     Eigenvalues ---    0.50611   0.50615   0.50617   0.51393   0.51559
     Eigenvalues ---    0.52044   0.52281   0.52748   0.52866   0.53303
     Eigenvalues ---    0.54084   0.54113   0.54199   0.54201   0.54206
     Eigenvalues ---    0.54277   0.54435   0.54947   0.55119   0.55291
     Eigenvalues ---    0.55320   0.55342   0.55355   0.55391   0.55420
     Eigenvalues ---    0.55421   0.55491   0.55575   0.55610   0.55699
     Eigenvalues ---    0.55703   0.55759   0.55840   0.55939   0.55948
     Eigenvalues ---    0.56103   0.56147   0.56153   0.56153   0.56237
     Eigenvalues ---    0.56272   0.56309   0.56421   0.56659   0.56662
     Eigenvalues ---    0.56664   0.56670   0.56673   0.56682   0.56827
     Eigenvalues ---    0.56902   0.56914   0.56999   0.57122   0.57174
     Eigenvalues ---    0.57179   0.57190   0.57195   0.57210   0.57617
     Eigenvalues ---    0.61804   0.63153   0.66021   0.66058   0.67649
     Eigenvalues ---    0.67658   0.67661   0.68877   0.70011   0.70087
     Eigenvalues ---    0.72384   0.75134   0.80072
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    24   23   22   21   20   19   18   17   16   15
 RFO step:  Lambda=-1.01592603D-04.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 RFO-DIIS uses    8 points instead of   10
 DidBck=T Rises=F RFO-DIIS coefs:    0.47437    2.03831   -2.00000   -0.11202    0.83300
                  RFO-DIIS coefs:   -0.17535   -0.28536    0.22706    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.01907155 RMS(Int)=  0.00009314
 Iteration  2 RMS(Cart)=  0.00016715 RMS(Int)=  0.00007325
 Iteration  3 RMS(Cart)=  0.00000004 RMS(Int)=  0.00007325
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64665   0.00007   0.00014   0.00042   0.00055   2.64720
    R2        2.66043  -0.00002   0.00005  -0.00013  -0.00011   2.66032
    R3        2.80290  -0.00012  -0.00024  -0.00043  -0.00067   2.80223
    R4        2.64637  -0.00007  -0.00004  -0.00035  -0.00038   2.64600
    R5        2.04878  -0.00001  -0.00002   0.00002   0.00000   2.04879
    R6        2.66525  -0.00007   0.00011   0.00000   0.00025   2.66550
    R7        2.78990   0.00001   0.00038   0.00027   0.00072   2.79062
    R8        2.64682  -0.00004  -0.00024  -0.00011  -0.00035   2.64648
    R9        2.78125  -0.00011  -0.00022   0.00024   0.00006   2.78131
   R10        2.62007  -0.00000   0.00001   0.00023   0.00022   2.62029
   R11        2.04834   0.00001   0.00010  -0.00005   0.00005   2.04839
   R12        2.05099  -0.00000  -0.00007   0.00003  -0.00004   2.05095
   R13        2.67922  -0.00009  -0.00001  -0.00027  -0.00031   2.67891
   R14        2.64450  -0.00003  -0.00003  -0.00007  -0.00010   2.64440
   R15        2.83830  -0.00036   0.00187   0.00384   0.00560   2.84391
   R16        2.64500  -0.00011  -0.00056  -0.00071  -0.00128   2.64373
   R17        2.84338  -0.00006   0.00191   0.00348   0.00517   2.84855
   R18        2.69890  -0.00065   0.00119   0.00395   0.00522   2.70411
   R19        3.96288  -0.00046  -0.01563  -0.02729  -0.04283   3.92005
   R20        2.43374  -0.00017  -0.00058  -0.00094  -0.00155   2.43219
   R21        2.64701   0.00004  -0.00004   0.00021   0.00018   2.64719
   R22        2.04782   0.00001   0.00003   0.00001   0.00004   2.04786
   R23        2.64998  -0.00006  -0.00016  -0.00057  -0.00074   2.64924
   R24        2.80116  -0.00008   0.00025   0.00010   0.00035   2.80151
   R25        2.62418   0.00005   0.00023   0.00061   0.00083   2.62501
   R26        2.05038   0.00000  -0.00008   0.00011   0.00002   2.05041
   R27        2.04143   0.00001   0.00014  -0.00026  -0.00012   2.04130
   R28        2.69579   0.00025  -0.00011   0.00137   0.00129   2.69708
   R29        3.32598  -0.00009  -0.00203  -0.00194  -0.00400   3.32198
   R30        5.37968  -0.00029  -0.00618  -0.01367  -0.02000   5.35969
   R31        2.67199  -0.00030  -0.00032  -0.00055  -0.00070   2.67129
   R32        2.65318  -0.00012  -0.00033  -0.00017  -0.00051   2.65267
   R33        2.61537   0.00026   0.00035   0.00149   0.00198   2.61735
   R34        2.65033  -0.00012  -0.00014  -0.00067  -0.00080   2.64954
   R35        2.62482   0.00006   0.00021   0.00038   0.00059   2.62541
   R36        2.03792   0.00002   0.00012  -0.00015  -0.00003   2.03790
   R37        2.65897  -0.00009  -0.00014  -0.00056  -0.00070   2.65826
   R38        2.05121   0.00000  -0.00003   0.00003   0.00000   2.05121
   R39        2.63351   0.00008   0.00015   0.00051   0.00066   2.63417
   R40        2.80156  -0.00005   0.00000  -0.00014  -0.00014   2.80141
   R41        2.04946   0.00000  -0.00004   0.00001  -0.00003   2.04943
   R42        2.65577   0.00001   0.00001   0.00012   0.00013   2.65590
   R43        2.65555   0.00003   0.00002   0.00020   0.00022   2.65577
   R44        2.65551  -0.00001  -0.00013  -0.00007  -0.00021   2.65530
   R45        2.65556  -0.00000  -0.00019   0.00002  -0.00017   2.65539
   R46        2.65550  -0.00001  -0.00005  -0.00000  -0.00005   2.65545
   R47        2.65558  -0.00000  -0.00006   0.00007   0.00001   2.65559
   R48        2.62903  -0.00000   0.00015  -0.00002   0.00013   2.62916
   R49        2.05129   0.00001  -0.00004   0.00006   0.00002   2.05131
   R50        2.64734  -0.00002   0.00002  -0.00003  -0.00002   2.64733
   R51        2.05001  -0.00000  -0.00013   0.00007  -0.00006   2.04995
   R52        2.64701  -0.00001   0.00005   0.00004   0.00008   2.64709
   R53        2.67987  -0.00003  -0.00014  -0.00011  -0.00025   2.67962
   R54        2.62934  -0.00001   0.00006  -0.00001   0.00005   2.62939
   R55        2.04999  -0.00000  -0.00011   0.00006  -0.00006   2.04993
   R56        2.05146   0.00001   0.00001   0.00001   0.00002   2.05148
   R57        2.62936  -0.00002  -0.00001  -0.00009  -0.00010   2.62927
   R58        2.05124  -0.00000  -0.00004   0.00003  -0.00001   2.05123
   R59        2.64677   0.00001   0.00004   0.00004   0.00008   2.64685
   R60        2.05008  -0.00000  -0.00012   0.00005  -0.00007   2.05001
   R61        2.64672   0.00002   0.00004   0.00008   0.00012   2.64684
   R62        2.68109  -0.00015  -0.00014  -0.00039  -0.00053   2.68056
   R63        2.62938  -0.00004  -0.00000  -0.00014  -0.00014   2.62924
   R64        2.05010  -0.00001  -0.00010   0.00004  -0.00007   2.05003
   R65        2.05145  -0.00000  -0.00003  -0.00001  -0.00004   2.05141
   R66        2.62966  -0.00000   0.00008  -0.00004   0.00004   2.62970
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   R70        2.64661   0.00000   0.00001   0.00008   0.00009   2.64670
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   R72        2.62936  -0.00002   0.00001  -0.00005  -0.00003   2.62933
   R73        2.05017  -0.00000  -0.00011   0.00005  -0.00006   2.05011
   R74        2.05133   0.00001  -0.00000   0.00001   0.00001   2.05134
   R75        2.64681   0.00007  -0.00004   0.00022   0.00018   2.64699
   R76        2.64684   0.00005  -0.00003   0.00019   0.00016   2.64700
   R77        2.64761  -0.00002  -0.00008   0.00004  -0.00004   2.64757
   R78        2.64767  -0.00001  -0.00006   0.00007   0.00001   2.64768
   R79        2.64651   0.00004  -0.00007   0.00015   0.00009   2.64660
   R80        2.64617   0.00002  -0.00006   0.00012   0.00006   2.64623
   R81        2.67973  -0.00002   0.00004  -0.00003   0.00001   2.67974
   R82        2.64106  -0.00002   0.00009   0.00002   0.00011   2.64117
   R83        2.73646   0.00000  -0.00008   0.00004  -0.00004   2.73642
   R84        2.64487  -0.00001  -0.00001  -0.00004  -0.00005   2.64482
   R85        2.67969  -0.00002   0.00005  -0.00004   0.00001   2.67970
   R86        2.64489  -0.00001  -0.00000  -0.00004  -0.00004   2.64485
   R87        2.64105  -0.00002   0.00010   0.00000   0.00010   2.64115
   R88        2.67993  -0.00004   0.00004  -0.00009  -0.00005   2.67987
   R89        2.64107  -0.00001   0.00011  -0.00002   0.00009   2.64116
   R90        2.73643   0.00001  -0.00011   0.00006  -0.00005   2.73638
   R91        2.64496  -0.00001  -0.00002  -0.00004  -0.00006   2.64489
   R92        2.67996  -0.00003   0.00004  -0.00010  -0.00005   2.67990
   R93        2.64494  -0.00001  -0.00003  -0.00005  -0.00008   2.64487
   R94        2.64104  -0.00001   0.00011  -0.00003   0.00008   2.64112
   R95        2.68001  -0.00003   0.00004  -0.00007  -0.00003   2.67998
   R96        2.64108  -0.00001   0.00010  -0.00001   0.00009   2.64117
   R97        2.73640   0.00001  -0.00011   0.00005  -0.00006   2.73634
   R98        2.64503  -0.00001  -0.00002  -0.00004  -0.00006   2.64497
   R99        2.68018  -0.00003   0.00004  -0.00007  -0.00002   2.68016
   R100       2.64497  -0.00001  -0.00001  -0.00005  -0.00006   2.64490
   R101       2.64109  -0.00001   0.00010  -0.00002   0.00008   2.64117
   R102       2.62967  -0.00000  -0.00010  -0.00001  -0.00011   2.62956
   R103       2.05272  -0.00000   0.00001  -0.00000   0.00000   2.05273
   R104       2.65532  -0.00001   0.00002   0.00001   0.00003   2.65534
   R105       2.05144  -0.00000  -0.00001  -0.00001  -0.00002   2.05142
   R106       2.63265   0.00000  -0.00003  -0.00001  -0.00004   2.63261
   R107       2.05228  -0.00000   0.00000  -0.00000  -0.00000   2.05228
   R108       2.04891  -0.00000  -0.00010   0.00004  -0.00006   2.04885
   R109       2.63267  -0.00000  -0.00003  -0.00001  -0.00004   2.63263
   R110       2.04892  -0.00000  -0.00011   0.00005  -0.00006   2.04885
   R111       2.65530  -0.00001   0.00002   0.00001   0.00003   2.65533
   R112       2.05231  -0.00000   0.00000  -0.00000  -0.00000   2.05231
   R113       2.62972  -0.00001  -0.00010  -0.00001  -0.00011   2.62960
   R114       2.05148  -0.00000  -0.00001  -0.00001  -0.00002   2.05146
   R115       2.05273  -0.00000   0.00001  -0.00000   0.00000   2.05273
   R116       2.62971  -0.00000  -0.00009   0.00000  -0.00009   2.62962
   R117       2.05276  -0.00000   0.00001  -0.00001  -0.00000   2.05276
   R118       2.65545  -0.00002   0.00001  -0.00001   0.00000   2.65545
   R119       2.05149  -0.00000  -0.00001  -0.00001  -0.00003   2.05147
   R120       2.63260   0.00000  -0.00005   0.00003  -0.00002   2.63258
   R121       2.05231  -0.00000  -0.00000  -0.00000  -0.00001   2.05231
   R122       2.04898  -0.00001  -0.00008   0.00003  -0.00005   2.04893
   R123       2.63259   0.00000  -0.00005   0.00003  -0.00003   2.63256
   R124       2.04900  -0.00001  -0.00008   0.00002  -0.00006   2.04894
   R125       2.65547  -0.00002   0.00002  -0.00001   0.00001   2.65548
   R126       2.05231  -0.00000   0.00000  -0.00001  -0.00001   2.05230
   R127       2.62970  -0.00001  -0.00010  -0.00000  -0.00010   2.62960
   R128       2.05148  -0.00000  -0.00001  -0.00002  -0.00003   2.05146
   R129       2.05276  -0.00000   0.00000  -0.00001  -0.00000   2.05276
   R130       2.62977  -0.00000  -0.00010   0.00000  -0.00010   2.62967
   R131       2.05277  -0.00000   0.00000  -0.00000   0.00000   2.05278
   R132       2.65551  -0.00002   0.00002   0.00000   0.00002   2.65553
   R133       2.05151  -0.00000  -0.00001  -0.00001  -0.00002   2.05149
   R134       2.63259   0.00000  -0.00003  -0.00000  -0.00003   2.63256
   R135       2.05238  -0.00000   0.00001  -0.00001  -0.00000   2.05237
   R136       2.04904  -0.00000  -0.00012   0.00008  -0.00005   2.04900
   R137       2.63252   0.00000  -0.00005   0.00002  -0.00003   2.63249
   R138       2.04902  -0.00000  -0.00005  -0.00000  -0.00005   2.04896
   R139       2.65560  -0.00002   0.00003  -0.00000   0.00002   2.65562
   R140       2.05231  -0.00000  -0.00000  -0.00000  -0.00000   2.05231
   R141       2.62966  -0.00000  -0.00008  -0.00001  -0.00009   2.62957
   R142       2.05149  -0.00000  -0.00001  -0.00001  -0.00002   2.05147
   R143       2.05277  -0.00000   0.00001  -0.00001   0.00000   2.05278
   R144       2.78516  -0.00008   0.00023  -0.00018   0.00005   2.78522
   R145       3.02933   0.00008  -0.00002   0.00099   0.00091   3.03024
   R146       3.04409   0.00004  -0.00038   0.00056   0.00018   3.04427
   R147       2.76602  -0.00012  -0.00094  -0.00161  -0.00260   2.76342
   R148       2.75559   0.00001  -0.00005   0.00015   0.00010   2.75569
   R149       2.86303   0.00000  -0.00019   0.00039   0.00019   2.86322
   R150       2.06482  -0.00007  -0.00033   0.00046   0.00019   2.06500
   R151       2.06385  -0.00000  -0.00034   0.00044   0.00020   2.06405
   R152       2.06851  -0.00001  -0.00013   0.00009  -0.00004   2.06847
   R153       2.06682   0.00001   0.00007  -0.00013  -0.00005   2.06677
   R154       2.06662  -0.00000  -0.00002  -0.00002  -0.00004   2.06658
   R155       2.86352  -0.00001  -0.00000   0.00004   0.00004   2.86356
   R156       2.06931  -0.00000  -0.00008   0.00001  -0.00007   2.06924
   R157       2.06731  -0.00000  -0.00002   0.00003   0.00001   2.06732
   R158       2.06625  -0.00000  -0.00003   0.00001  -0.00002   2.06622
   R159       2.06820  -0.00000   0.00005  -0.00005  -0.00000   2.06820
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   R161       5.79660  -0.00008   0.00871   0.01561   0.02429   5.82089
   R162       6.23857   0.00001   0.01059   0.02368   0.03430   6.27287
    A1        2.06447  -0.00003  -0.00008  -0.00026  -0.00034   2.06412
    A2        2.10876   0.00001  -0.00002   0.00010   0.00009   2.10885
    A3        2.10996   0.00002   0.00010   0.00016   0.00026   2.11022
    A4        2.12754  -0.00000   0.00021  -0.00005   0.00021   2.12774
    A5        2.06998   0.00002  -0.00010   0.00030   0.00017   2.07015
    A6        2.08494  -0.00002  -0.00012  -0.00024  -0.00038   2.08456
    A7        2.07106   0.00002  -0.00037   0.00043   0.00001   2.07107
    A8        2.14598   0.00001   0.00051  -0.00023   0.00009   2.14607
    A9        2.06299  -0.00002  -0.00022  -0.00023  -0.00020   2.06279
   A10        2.09080   0.00002   0.00030  -0.00040  -0.00014   2.09066
   A11        2.09631   0.00000  -0.00016  -0.00022  -0.00020   2.09611
   A12        2.09556  -0.00002  -0.00009   0.00065   0.00040   2.09596
   A13        2.10518  -0.00000  -0.00003   0.00016   0.00017   2.10535
   A14        2.06655  -0.00000   0.00001  -0.00008  -0.00009   2.06646
   A15        2.11138   0.00000   0.00003  -0.00009  -0.00008   2.11129
   A16        2.10585  -0.00000  -0.00004   0.00012   0.00007   2.10592
   A17        2.08869   0.00001   0.00011  -0.00006   0.00006   2.08875
   A18        2.08863  -0.00001  -0.00007  -0.00006  -0.00013   2.08850
   A19        2.09417  -0.00002  -0.00026   0.00021   0.00002   2.09420
   A20        2.10711   0.00003   0.00032  -0.00063  -0.00034   2.10677
   A21        2.07472  -0.00001  -0.00022   0.00039   0.00014   2.07486
   A22        2.07105   0.00000  -0.00018  -0.00048  -0.00072   2.07033
   A23        2.06841   0.00009   0.00047  -0.00019   0.00033   2.06874
   A24        2.13940  -0.00009  -0.00022   0.00071   0.00051   2.13992
   A25        1.93794   0.00011  -0.00261  -0.00330  -0.00510   1.93285
   A26        2.05399  -0.00016  -0.00306  -0.00204  -0.00420   2.04979
   A27        1.86821  -0.00021   0.00074   0.00020   0.00062   1.86883
   A28        2.01380  -0.00003  -0.00203  -0.00208  -0.00345   2.01035
   A29        1.69087   0.00003   0.00342   0.00582   0.00902   1.69989
   A30        2.02396  -0.00005  -0.00059  -0.00111  -0.00155   2.02242
   A31        2.08523  -0.00005  -0.00028   0.00039   0.00024   2.08547
   A32        2.17173   0.00010   0.00091   0.00065   0.00127   2.17300
   A33        2.13679  -0.00003  -0.00019  -0.00015  -0.00033   2.13646
   A34        2.07747   0.00001   0.00022  -0.00006   0.00015   2.07761
   A35        2.06607   0.00002   0.00003   0.00018   0.00020   2.06627
   A36        2.05357   0.00002   0.00020  -0.00016   0.00005   2.05362
   A37        2.10926   0.00000  -0.00021   0.00016  -0.00005   2.10921
   A38        2.11964  -0.00002   0.00003  -0.00001   0.00001   2.11966
   A39        2.10800  -0.00001  -0.00001   0.00013   0.00010   2.10810
   A40        2.09468  -0.00001   0.00012  -0.00023  -0.00011   2.09457
   A41        2.08030   0.00001  -0.00010   0.00011   0.00001   2.08032
   A42        2.11919  -0.00005  -0.00035   0.00009  -0.00027   2.11892
   A43        2.10013   0.00002  -0.00014   0.00055   0.00041   2.10054
   A44        2.06354   0.00003   0.00053  -0.00064  -0.00011   2.06343
   A45        2.08179   0.00011   0.00087   0.00050   0.00096   2.08275
   A46        2.05984  -0.00007  -0.00070   0.00129   0.00064   2.06048
   A47        2.08533  -0.00007  -0.00062   0.00059   0.00049   2.08582
   A48        2.07578   0.00014   0.00228   0.00802   0.01047   2.08625
   A49        1.55979  -0.00002   0.00059   0.00371   0.00428   1.56406
   A50        2.07828  -0.00003   0.00017   0.00031   0.00053   2.07882
   A51        2.15141  -0.00006  -0.00032  -0.00004  -0.00041   2.15100
   A52        2.05265   0.00009   0.00019  -0.00027  -0.00008   2.05257
   A53        2.14041  -0.00009  -0.00030   0.00003  -0.00011   2.14030
   A54        2.10283   0.00003   0.00001   0.00042   0.00037   2.10320
   A55        2.03985   0.00006   0.00029  -0.00047  -0.00029   2.03956
   A56        2.07902  -0.00008   0.00005   0.00059   0.00063   2.07965
   A57        2.10977  -0.00004  -0.00011   0.00011   0.00002   2.10979
   A58        2.10633  -0.00001  -0.00022   0.00026   0.00003   2.10636
   A59        2.06708   0.00005   0.00033  -0.00037  -0.00005   2.06703
   A60        2.13241  -0.00005  -0.00000  -0.00009  -0.00008   2.13233
   A61        2.06356   0.00003  -0.00003   0.00004   0.00000   2.06356
   A62        2.08703   0.00002   0.00003   0.00005   0.00008   2.08711
   A63        2.03885  -0.00000  -0.00006  -0.00012  -0.00016   2.03869
   A64        2.12175   0.00004   0.00014   0.00015   0.00028   2.12203
   A65        2.12257  -0.00003  -0.00008  -0.00003  -0.00012   2.12246
   A66        2.12972  -0.00003  -0.00003  -0.00009  -0.00009   2.12963
   A67        2.03196   0.00004   0.00009   0.00027   0.00035   2.03231
   A68        2.12119  -0.00001  -0.00006  -0.00020  -0.00028   2.12091
   A69        2.11144   0.00002   0.00025   0.00014   0.00039   2.11183
   A70        2.11612   0.00001   0.00010   0.00014   0.00024   2.11636
   A71        2.05563  -0.00002  -0.00035  -0.00028  -0.00063   2.05500
   A72        2.11677  -0.00003   0.00013  -0.00009   0.00004   2.11681
   A73        2.11050   0.00000  -0.00001   0.00006   0.00005   2.11054
   A74        2.05591   0.00002  -0.00012   0.00003  -0.00009   2.05583
   A75        2.11490   0.00002   0.00030   0.00002   0.00033   2.11522
   A76        2.11329  -0.00003  -0.00003   0.00003  -0.00001   2.11328
   A77        2.05500   0.00001  -0.00027  -0.00005  -0.00032   2.05468
   A78        2.11689  -0.00001   0.00006   0.00002   0.00008   2.11696
   A79        2.08696  -0.00001   0.00013  -0.00010   0.00003   2.08699
   A80        2.07847   0.00002  -0.00017   0.00006  -0.00011   2.07836
   A81        2.09831  -0.00001   0.00016  -0.00008   0.00008   2.09839
   A82        2.09987   0.00002  -0.00031  -0.00004  -0.00034   2.09952
   A83        2.08477  -0.00000   0.00015   0.00011   0.00026   2.08503
   A84        2.07996   0.00003  -0.00035   0.00013  -0.00022   2.07974
   A85        2.10137  -0.00001   0.00024  -0.00012   0.00012   2.10149
   A86        2.10186  -0.00002   0.00011  -0.00001   0.00010   2.10196
   A87        2.09789  -0.00001   0.00019  -0.00012   0.00007   2.09796
   A88        2.08514  -0.00000   0.00012   0.00007   0.00019   2.08533
   A89        2.09990   0.00002  -0.00032   0.00005  -0.00027   2.09963
   A90        2.11724  -0.00001   0.00007   0.00001   0.00009   2.11732
   A91        2.08482  -0.00001   0.00006  -0.00004   0.00002   2.08484
   A92        2.08019   0.00002  -0.00014   0.00003  -0.00011   2.08008
   A93        2.11702   0.00001   0.00021   0.00018   0.00039   2.11741
   A94        2.08551  -0.00001  -0.00002   0.00001  -0.00001   2.08550
   A95        2.07977  -0.00001  -0.00019  -0.00019  -0.00038   2.07939
   A96        2.09804   0.00000   0.00015  -0.00001   0.00014   2.09817
   A97        2.10001   0.00000  -0.00029  -0.00008  -0.00037   2.09964
   A98        2.08491  -0.00000   0.00014   0.00009   0.00023   2.08514
   A99        2.08039  -0.00001  -0.00036  -0.00004  -0.00040   2.07999
   A100       2.10170   0.00001   0.00021   0.00004   0.00025   2.10195
   A101       2.10109  -0.00000   0.00014   0.00001   0.00015   2.10124
   A102       2.09773   0.00000   0.00019  -0.00001   0.00019   2.09792
   A103       2.08475  -0.00000   0.00010   0.00005   0.00015   2.08490
   A104       2.10047   0.00000  -0.00030  -0.00005  -0.00035   2.10012
   A105       2.11739   0.00001   0.00016   0.00017   0.00032   2.11772
   A106       2.08586  -0.00001   0.00001   0.00004   0.00005   2.08592
   A107       2.07906  -0.00001  -0.00018  -0.00021  -0.00039   2.07867
   A108       2.11762  -0.00001   0.00009   0.00007   0.00016   2.11778
   A109       2.08705  -0.00001   0.00007  -0.00004   0.00003   2.08708
   A110       2.07767   0.00001  -0.00016  -0.00003  -0.00020   2.07747
   A111       2.09801  -0.00000   0.00020  -0.00006   0.00014   2.09815
   A112       2.10016   0.00001  -0.00031  -0.00002  -0.00033   2.09983
   A113       2.08478  -0.00001   0.00011   0.00008   0.00019   2.08497
   A114       2.07994   0.00001  -0.00034   0.00006  -0.00028   2.07965
   A115       2.10148  -0.00001   0.00024  -0.00011   0.00014   2.10162
   A116       2.10177  -0.00000   0.00010   0.00005   0.00015   2.10191
   A117       2.09825  -0.00001   0.00013  -0.00006   0.00007   2.09832
   A118       2.08488  -0.00000   0.00012   0.00007   0.00020   2.08508
   A119       2.09983   0.00001  -0.00026  -0.00002  -0.00028   2.09955
   A120       2.11744   0.00000   0.00019   0.00004   0.00023   2.11767
   A121       2.08568  -0.00001   0.00001  -0.00001  -0.00000   2.08568
   A122       2.07934   0.00001  -0.00021  -0.00002  -0.00023   2.07911
   A123       2.19589   0.00001  -0.00002   0.00002  -0.00000   2.19588
   A124       2.19613   0.00001   0.00008   0.00001   0.00009   2.19622
   A125       1.89116  -0.00002  -0.00006  -0.00003  -0.00009   1.89107
   A126       2.19617   0.00000   0.00002  -0.00002  -0.00001   2.19616
   A127       2.19614  -0.00001   0.00005  -0.00000   0.00004   2.19618
   A128       1.89087   0.00001  -0.00006   0.00003  -0.00004   1.89084
   A129       2.19594   0.00002   0.00002   0.00007   0.00009   2.19603
   A130       2.19607  -0.00001   0.00004  -0.00006  -0.00002   2.19605
   A131       1.89117  -0.00001  -0.00006  -0.00000  -0.00007   1.89111
   A132       1.90144  -0.00000   0.00007  -0.00003   0.00004   1.90147
   A133       2.25980  -0.00001   0.00022   0.00003   0.00025   2.26006
   A134       2.12145   0.00001  -0.00030  -0.00001  -0.00031   2.12114
   A135       1.86552  -0.00000  -0.00003   0.00002  -0.00001   1.86551
   A136       2.08632  -0.00000   0.00017   0.00007   0.00024   2.08656
   A137       2.33129   0.00000  -0.00015  -0.00010  -0.00025   2.33105
   A138       1.86550  -0.00000  -0.00003   0.00002  -0.00001   1.86549
   A139       2.33127   0.00001  -0.00015  -0.00009  -0.00023   2.33104
   A140       2.08637  -0.00001   0.00017   0.00005   0.00023   2.08660
   A141       1.90145  -0.00000   0.00006  -0.00004   0.00002   1.90147
   A142       2.25991  -0.00001   0.00024   0.00001   0.00026   2.26016
   A143       2.12134   0.00001  -0.00030   0.00001  -0.00030   2.12105
   A144       1.90152  -0.00000   0.00005  -0.00005  -0.00000   1.90152
   A145       2.25952  -0.00000   0.00028   0.00003   0.00032   2.25984
   A146       2.12170   0.00001  -0.00034  -0.00000  -0.00034   2.12136
   A147       1.86529   0.00001  -0.00002   0.00006   0.00004   1.86533
   A148       2.08609   0.00000   0.00021   0.00008   0.00030   2.08638
   A149       2.33177  -0.00002  -0.00020  -0.00015  -0.00035   2.33142
   A150       1.86534   0.00001  -0.00000   0.00004   0.00004   1.86538
   A151       2.33172  -0.00002  -0.00020  -0.00013  -0.00033   2.33139
   A152       2.08608   0.00000   0.00020   0.00008   0.00027   2.08635
   A153       1.90146  -0.00000   0.00003  -0.00003   0.00001   1.90147
   A154       2.25959  -0.00000   0.00029  -0.00001   0.00028   2.25987
   A155       2.12171   0.00000  -0.00033   0.00001  -0.00032   2.12139
   A156       1.90163  -0.00001   0.00005  -0.00004   0.00001   1.90164
   A157       2.25926  -0.00000   0.00023   0.00003   0.00027   2.25952
   A158       2.12188   0.00001  -0.00029  -0.00002  -0.00030   2.12158
   A159       1.86517   0.00001  -0.00001   0.00003   0.00002   1.86519
   A160       2.08602  -0.00000   0.00018   0.00008   0.00026   2.08628
   A161       2.33195  -0.00001  -0.00017  -0.00012  -0.00029   2.33166
   A162       1.86514   0.00001  -0.00003   0.00005   0.00001   1.86515
   A163       2.33202  -0.00001  -0.00017  -0.00012  -0.00029   2.33173
   A164       2.08598  -0.00000   0.00020   0.00006   0.00026   2.08625
   A165       1.90166   0.00000   0.00006  -0.00004   0.00002   1.90169
   A166       2.25942  -0.00002   0.00027  -0.00002   0.00025   2.25968
   A167       2.12169   0.00001  -0.00033   0.00003  -0.00030   2.12138
   A168       2.07983  -0.00000   0.00005  -0.00003   0.00002   2.07985
   A169       2.10023  -0.00000  -0.00009  -0.00011  -0.00020   2.10003
   A170       2.10311   0.00000   0.00004   0.00014   0.00018   2.10329
   A171       2.10408   0.00000  -0.00012  -0.00003  -0.00014   2.10394
   A172       2.09193   0.00000   0.00015   0.00006   0.00020   2.09213
   A173       2.08717  -0.00000  -0.00003  -0.00003  -0.00006   2.08711
   A174       2.11970  -0.00000   0.00005   0.00006   0.00012   2.11981
   A175       2.08507   0.00000  -0.00008   0.00006  -0.00002   2.08505
   A176       2.07842  -0.00000   0.00003  -0.00012  -0.00010   2.07832
   A177       2.05489  -0.00001   0.00015  -0.00006   0.00008   2.05497
   A178       2.11734  -0.00000   0.00009   0.00007   0.00015   2.11749
   A179       2.11094   0.00001  -0.00023  -0.00000  -0.00024   2.11071
   A180       2.05476  -0.00001   0.00014  -0.00006   0.00008   2.05484
   A181       2.11741  -0.00000   0.00007   0.00008   0.00014   2.11755
   A182       2.11099   0.00001  -0.00021  -0.00002  -0.00023   2.11076
   A183       2.11976   0.00000   0.00005   0.00007   0.00012   2.11989
   A184       2.07828  -0.00000   0.00002  -0.00013  -0.00011   2.07818
   A185       2.08513   0.00000  -0.00007   0.00006  -0.00002   2.08512
   A186       2.10408   0.00000  -0.00012  -0.00003  -0.00015   2.10393
   A187       2.08726  -0.00000  -0.00003  -0.00003  -0.00006   2.08720
   A188       2.09183   0.00000   0.00015   0.00006   0.00021   2.09204
   A189       2.07982  -0.00000   0.00005  -0.00003   0.00002   2.07984
   A190       2.10023  -0.00000  -0.00009  -0.00011  -0.00020   2.10003
   A191       2.10312   0.00000   0.00004   0.00014   0.00018   2.10331
   A192       2.07985   0.00000   0.00005  -0.00004   0.00001   2.07986
   A193       2.10024  -0.00000  -0.00011  -0.00010  -0.00021   2.10002
   A194       2.10309   0.00000   0.00006   0.00014   0.00021   2.10330
   A195       2.10419  -0.00000  -0.00014  -0.00004  -0.00018   2.10401
   A196       2.09182   0.00000   0.00015   0.00007   0.00022   2.09203
   A197       2.08717   0.00000  -0.00001  -0.00003  -0.00004   2.08713
   A198       2.11973  -0.00000   0.00007   0.00007   0.00014   2.11986
   A199       2.08511   0.00000  -0.00003   0.00006   0.00003   2.08514
   A200       2.07835  -0.00000  -0.00004  -0.00013  -0.00016   2.07818
   A201       2.05467  -0.00000   0.00015  -0.00008   0.00007   2.05475
   A202       2.11714   0.00000   0.00013   0.00009   0.00022   2.11737
   A203       2.11135   0.00000  -0.00028  -0.00002  -0.00030   2.11105
   A204       2.05468  -0.00000   0.00015  -0.00007   0.00008   2.05476
   A205       2.11710   0.00000   0.00016   0.00011   0.00027   2.11737
   A206       2.11138   0.00000  -0.00031  -0.00004  -0.00035   2.11103
   A207       2.11971  -0.00000   0.00008   0.00007   0.00015   2.11986
   A208       2.07841  -0.00000  -0.00005  -0.00013  -0.00018   2.07823
   A209       2.08507   0.00000  -0.00004   0.00006   0.00003   2.08509
   A210       2.10420  -0.00000  -0.00014  -0.00005  -0.00019   2.10402
   A211       2.08713  -0.00000  -0.00001  -0.00003  -0.00004   2.08709
   A212       2.09184   0.00000   0.00015   0.00008   0.00023   2.09207
   A213       2.07984  -0.00000   0.00004  -0.00004   0.00000   2.07984
   A214       2.10025  -0.00000  -0.00011  -0.00011  -0.00022   2.10003
   A215       2.10309   0.00000   0.00007   0.00015   0.00022   2.10331
   A216       2.07993  -0.00000   0.00006  -0.00005   0.00000   2.07994
   A217       2.10024  -0.00000  -0.00010  -0.00011  -0.00021   2.10003
   A218       2.10300   0.00000   0.00005   0.00016   0.00021   2.10321
   A219       2.10418  -0.00000  -0.00014  -0.00002  -0.00017   2.10402
   A220       2.09179   0.00000   0.00017   0.00006   0.00022   2.09201
   A221       2.08720  -0.00000  -0.00002  -0.00004  -0.00006   2.08714
   A222       2.11969  -0.00000   0.00007   0.00007   0.00014   2.11983
   A223       2.08500   0.00000  -0.00007   0.00008   0.00001   2.08501
   A224       2.07849  -0.00000  -0.00000  -0.00015  -0.00015   2.07834
   A225       2.05475  -0.00001   0.00015  -0.00009   0.00006   2.05481
   A226       2.11669  -0.00000   0.00009   0.00009   0.00019   2.11688
   A227       2.11172   0.00001  -0.00025  -0.00000  -0.00025   2.11147
   A228       2.05451  -0.00001   0.00012  -0.00005   0.00006   2.05458
   A229       2.11706   0.00000   0.00012   0.00008   0.00020   2.11726
   A230       2.11159   0.00000  -0.00024  -0.00003  -0.00027   2.11133
   A231       2.11978   0.00000   0.00008   0.00006   0.00014   2.11993
   A232       2.07834  -0.00000  -0.00004  -0.00012  -0.00015   2.07819
   A233       2.08506   0.00000  -0.00004   0.00006   0.00001   2.08507
   A234       2.10425  -0.00000  -0.00013  -0.00004  -0.00017   2.10409
   A235       2.08712  -0.00000  -0.00003  -0.00003  -0.00006   2.08706
   A236       2.09180   0.00000   0.00016   0.00007   0.00023   2.09203
   A237       2.07978  -0.00000   0.00004  -0.00003   0.00001   2.07978
   A238       2.10030  -0.00000  -0.00011  -0.00011  -0.00021   2.10008
   A239       2.10310   0.00000   0.00007   0.00014   0.00021   2.10331
   A240       2.01756   0.00007  -0.00078  -0.00016  -0.00100   2.01656
   A241       1.84510  -0.00006   0.00018   0.00077   0.00088   1.84598
   A242       1.72774  -0.00007   0.00090   0.00138   0.00241   1.73015
   A243       2.02844   0.00002   0.00065  -0.00082  -0.00015   2.02830
   A244       2.03135  -0.00002   0.00064  -0.00005   0.00059   2.03194
   A245       1.77343   0.00005  -0.00172  -0.00085  -0.00251   1.77092
   A246       2.11571  -0.00005   0.00076  -0.00053  -0.00010   2.11561
   A247       2.06261  -0.00003  -0.00041   0.00036  -0.00005   2.06256
   A248       1.87800   0.00003   0.00009   0.00054   0.00073   1.87873
   A249       1.87787  -0.00000   0.00014   0.00099   0.00103   1.87890
   A250       1.89520  -0.00003  -0.00055   0.00058  -0.00001   1.89519
   A251       1.95544   0.00000  -0.00025  -0.00102  -0.00131   1.95413
   A252       1.96067  -0.00002  -0.00017  -0.00087  -0.00105   1.95962
   A253       1.89403   0.00002   0.00071  -0.00007   0.00073   1.89476
   A254       1.91012  -0.00001  -0.00083   0.00070  -0.00014   1.90998
   A255       1.93793   0.00000   0.00051  -0.00060  -0.00009   1.93784
   A256       1.93762  -0.00000  -0.00009  -0.00007  -0.00015   1.93746
   A257       1.89067   0.00000   0.00012   0.00005   0.00017   1.89084
   A258       1.89024   0.00000   0.00024   0.00001   0.00025   1.89050
   A259       1.89603   0.00000   0.00005  -0.00008  -0.00003   1.89600
   A260       1.88119  -0.00001  -0.00010   0.00005  -0.00005   1.88114
   A261       1.89114   0.00000   0.00005   0.00000   0.00005   1.89120
   A262       1.89387   0.00000  -0.00010   0.00012   0.00002   1.89389
   A263       1.94718   0.00000   0.00002   0.00008   0.00011   1.94728
   A264       1.95151  -0.00000   0.00003  -0.00014  -0.00011   1.95140
   A265       1.89731  -0.00000   0.00009  -0.00010  -0.00001   1.89730
   A266       1.93708   0.00001   0.00001   0.00001   0.00002   1.93710
   A267       1.91351  -0.00000   0.00002   0.00003   0.00006   1.91356
   A268       1.93459  -0.00000  -0.00012  -0.00003  -0.00015   1.93444
   A269       1.89203  -0.00000   0.00004   0.00003   0.00007   1.89210
   A270       1.89327  -0.00000   0.00003  -0.00002   0.00001   1.89328
   A271       1.89225   0.00000   0.00002  -0.00002   0.00000   1.89225
   A272       1.88975   0.00003   0.00015   0.00395   0.00420   1.89395
   A273       1.65599  -0.00004  -0.00080  -0.00045  -0.00121   1.65478
   A274       1.74069  -0.00016  -0.00258  -0.01013  -0.01272   1.72797
   A275       1.80919  -0.00013   0.00025   0.00072   0.00080   1.80999
   A276       1.24614  -0.00001  -0.00266  -0.01074  -0.01331   1.23283
   A277       1.34198  -0.00001  -0.00112  -0.00326  -0.00434   1.33764
   A278       0.55967  -0.00001  -0.00083  -0.00194  -0.00280   0.55688
    D1        0.01126  -0.00000  -0.00009  -0.00036  -0.00046   0.01080
    D2        3.11166  -0.00002  -0.00044  -0.00018  -0.00064   3.11102
    D3       -3.12995   0.00000  -0.00022  -0.00047  -0.00070  -3.13065
    D4       -0.02955  -0.00002  -0.00057  -0.00030  -0.00088  -0.03043
    D5       -0.03064  -0.00000  -0.00019   0.00005  -0.00014  -0.03078
    D6        3.10518  -0.00000  -0.00046  -0.00045  -0.00090   3.10428
    D7        3.11057  -0.00001  -0.00006   0.00017   0.00010   3.11067
    D8       -0.03679  -0.00001  -0.00033  -0.00033  -0.00066  -0.03745
    D9        2.48743   0.00004   0.00201   0.00327   0.00528   2.49271
   D10       -0.65450   0.00003   0.00200   0.00301   0.00501  -0.64949
   D11       -0.65377   0.00004   0.00188   0.00315   0.00504  -0.64874
   D12        2.48749   0.00004   0.00187   0.00289   0.00476   2.49225
   D13        0.03285   0.00001   0.00037   0.00045   0.00083   0.03367
   D14       -3.02187  -0.00001   0.00150   0.00086   0.00230  -3.01957
   D15       -3.06721   0.00002   0.00072   0.00026   0.00099  -3.06622
   D16        0.16126   0.00000   0.00185   0.00066   0.00247   0.16372
   D17       -0.05816  -0.00000  -0.00038  -0.00022  -0.00059  -0.05875
   D18        3.04915  -0.00001   0.00094   0.00066   0.00157   3.05072
   D19        3.00073   0.00002  -0.00141  -0.00061  -0.00198   2.99875
   D20       -0.17514   0.00001  -0.00009   0.00027   0.00018  -0.17496
   D21       -2.92230   0.00006  -0.00173   0.00259   0.00083  -2.92147
   D22        0.34915   0.00006  -0.00021   0.00274   0.00249   0.35163
   D23        0.30578   0.00004  -0.00060   0.00296   0.00229   0.30807
   D24       -2.70595   0.00004   0.00092   0.00312   0.00394  -2.70201
   D25        0.03996  -0.00000   0.00012  -0.00008   0.00001   0.03998
   D26       -3.11573  -0.00000  -0.00008   0.00003  -0.00006  -3.11579
   D27       -3.06737   0.00000  -0.00120  -0.00095  -0.00213  -3.06950
   D28        0.06013   0.00000  -0.00140  -0.00083  -0.00221   0.05792
   D29       -0.37624   0.00002  -0.00168  -0.00577  -0.00734  -0.38358
   D30        2.83435   0.00004  -0.00240  -0.00463  -0.00691   2.82744
   D31        2.73098   0.00002  -0.00034  -0.00491  -0.00519   2.72579
   D32       -0.34161   0.00003  -0.00106  -0.00376  -0.00476  -0.34637
   D33        0.00523   0.00001   0.00018   0.00016   0.00036   0.00559
   D34       -3.13059   0.00001   0.00045   0.00066   0.00112  -3.12947
   D35       -3.12190   0.00001   0.00038   0.00004   0.00044  -3.12146
   D36        0.02546   0.00001   0.00065   0.00055   0.00120   0.02666
   D37        0.13288  -0.00007   0.00320  -0.00027   0.00285   0.13572
   D38       -2.91152  -0.00005   0.00229  -0.00086   0.00138  -2.91013
   D39       -3.13617  -0.00007   0.00175  -0.00050   0.00119  -3.13499
   D40        0.10262  -0.00004   0.00084  -0.00109  -0.00027   0.10235
   D41        2.98244   0.00003  -0.00192   0.00052  -0.00134   2.98109
   D42       -0.07662   0.00004  -0.00262   0.00094  -0.00165  -0.07827
   D43       -0.03072   0.00003  -0.00041   0.00069   0.00030  -0.03042
   D44       -3.08978   0.00004  -0.00111   0.00111  -0.00001  -3.08979
   D45       -0.65248   0.00003  -0.00376  -0.00403  -0.00805  -0.66054
   D46       -3.02769   0.00013   0.00198   0.00531   0.00767  -3.02002
   D47        1.17318   0.00001  -0.00085   0.00138   0.00047   1.17365
   D48        2.38773   0.00001  -0.00275  -0.00347  -0.00654   2.38119
   D49        0.01253   0.00011   0.00299   0.00586   0.00918   0.02170
   D50       -2.06979  -0.00001   0.00015   0.00194   0.00198  -2.06781
   D51       -0.09680   0.00002  -0.00053   0.00054   0.00002  -0.09678
   D52        3.01664   0.00002   0.00112   0.00039   0.00150   3.01814
   D53       -3.13716   0.00005  -0.00150  -0.00000  -0.00143  -3.13859
   D54       -0.02373   0.00005   0.00015  -0.00015   0.00005  -0.02368
   D55        0.76758   0.00000   0.00292   0.00693   0.01011   0.77769
   D56       -2.44685  -0.00002   0.00361   0.00571   0.00960  -2.43724
   D57       -3.12144  -0.00016  -0.00328  -0.00213  -0.00556  -3.12699
   D58       -0.05268  -0.00018  -0.00258  -0.00335  -0.00606  -0.05874
   D59       -1.17433   0.00019   0.00173   0.00496   0.00673  -1.16760
   D60        1.89442   0.00017   0.00242   0.00373   0.00623   1.90065
   D61        2.39612   0.00009  -0.00350  -0.01131  -0.01502   2.38111
   D62       -1.10096   0.00001  -0.00444  -0.00396  -0.00847  -1.10943
   D63        0.05327   0.00014   0.00307  -0.00107   0.00211   0.05538
   D64        2.83937   0.00006   0.00213   0.00628   0.00866   2.84803
   D65        2.38916  -0.00005   0.00312   0.00994   0.01299   2.40215
   D66        1.82146  -0.00003   0.00435   0.01384   0.01841   1.83988
   D67       -1.89513   0.00002   0.00260   0.00871   0.01120  -1.88393
   D68       -2.46282   0.00004   0.00383   0.01261   0.01662  -2.44620
   D69        3.09699   0.00008   0.00098   0.00248   0.00352   3.10051
   D70        0.03063   0.00010   0.00030   0.00380   0.00411   0.03473
   D71       -0.04938   0.00000  -0.00030   0.00029  -0.00001  -0.04938
   D72        3.13208   0.00001  -0.00085   0.00049  -0.00036   3.13172
   D73        3.01019  -0.00000   0.00041  -0.00013   0.00030   3.01049
   D74       -0.09153   0.00000  -0.00014   0.00007  -0.00006  -0.09159
   D75        0.05708  -0.00002   0.00063  -0.00088  -0.00027   0.05682
   D76       -3.10660  -0.00002   0.00070  -0.00046   0.00025  -3.10635
   D77       -3.12463  -0.00002   0.00117  -0.00108   0.00009  -3.12454
   D78       -0.00512  -0.00002   0.00125  -0.00065   0.00060  -0.00452
   D79        2.47925   0.00000   0.00120  -0.00234  -0.00114   2.47811
   D80       -0.66368   0.00000   0.00098  -0.00234  -0.00136  -0.66504
   D81       -0.62095   0.00000   0.00062  -0.00213  -0.00151  -0.62246
   D82        2.51930   0.00000   0.00040  -0.00213  -0.00173   2.51757
   D83        0.01598   0.00000  -0.00023   0.00048   0.00026   0.01624
   D84       -3.09803   0.00001  -0.00182   0.00061  -0.00119  -3.09922
   D85       -3.10370   0.00000  -0.00030   0.00006  -0.00025  -3.10395
   D86        0.06547   0.00000  -0.00190   0.00019  -0.00170   0.06377
   D87       -0.03739  -0.00004  -0.00166   0.00461   0.00305  -0.03434
   D88       -3.13379  -0.00004  -0.00292   0.00466   0.00184  -3.13196
   D89       -2.81826   0.00004  -0.00074  -0.00299  -0.00363  -2.82189
   D90        0.36852   0.00004  -0.00200  -0.00294  -0.00484   0.36368
   D91       -0.94481   0.00007   0.00234   0.00869   0.01076  -0.93405
   D92        2.24197   0.00006   0.00108   0.00874   0.00955   2.25152
   D93        0.14311   0.00011   0.00046  -0.00725  -0.00681   0.13630
   D94       -2.12708   0.00008   0.00002  -0.00669  -0.00660  -2.13368
   D95        2.32622   0.00006   0.00146  -0.00642  -0.00494   2.32128
   D96        2.92848   0.00007  -0.00017   0.00010  -0.00015   2.92832
   D97        0.65828   0.00004  -0.00060   0.00066   0.00006   0.65834
   D98       -1.17160   0.00003   0.00084   0.00092   0.00172  -1.16988
   D99        0.77585  -0.00006  -0.00362  -0.01225  -0.01585   0.75999
   D100      -1.49435  -0.00009  -0.00406  -0.01169  -0.01564  -1.50999
   D101       2.95895  -0.00011  -0.00262  -0.01143  -0.01398   2.94497
   D102      -1.14209   0.00008   0.00090   0.00314   0.00413  -1.13796
   D103      -1.71619   0.00009   0.00171   0.00533   0.00725  -1.70894
   D104       1.01859   0.00004   0.00248   0.00915   0.01143   1.03002
   D105       0.44449   0.00005   0.00329   0.01134   0.01455   0.45904
   D106       0.01373  -0.00006  -0.00102  -0.00451  -0.00558   0.00815
   D107      -3.11212  -0.00001  -0.00055  -0.00243  -0.00301  -3.11513
   D108       3.11268  -0.00006   0.00014  -0.00455  -0.00444   3.10824
   D109      -0.01317  -0.00001   0.00061  -0.00247  -0.00187  -0.01504
   D110       3.11430   0.00002   0.00057   0.00224   0.00283   3.11713
   D111      -0.02427   0.00001  -0.00015   0.00230   0.00217  -0.02210
   D112       0.01727   0.00002  -0.00066   0.00227   0.00162   0.01890
   D113      -3.12129   0.00002  -0.00138   0.00233   0.00095  -3.12034
   D114      -0.01021   0.00002   0.00174   0.00026   0.00197  -0.00824
   D115       3.11618  -0.00002   0.00128  -0.00174  -0.00052   3.11566
   D116      -0.00032  -0.00000  -0.00017   0.00087   0.00071   0.00040
   D117       3.11424  -0.00001  -0.00002   0.00017   0.00015   3.11439
   D118      -3.12705   0.00004   0.00028   0.00283   0.00314  -3.12391
   D119      -0.01249   0.00003   0.00043   0.00213   0.00258  -0.00991
   D120      -0.00814  -0.00001   0.00026  -0.00046  -0.00020  -0.00834
   D121       3.11217  -0.00001   0.00001  -0.00020  -0.00020   3.11197
   D122       3.13049  -0.00001   0.00096  -0.00052   0.00045   3.13094
   D123      -0.03239  -0.00000   0.00071  -0.00026   0.00046  -0.03193
   D124      -0.00554  -0.00000   0.00021  -0.00118  -0.00098  -0.00652
   D125       3.14064  -0.00000  -0.00016  -0.00043  -0.00059   3.14005
   D126      -3.12556  -0.00001   0.00046  -0.00144  -0.00098  -3.12654
   D127       0.02062  -0.00000   0.00009  -0.00069  -0.00060   0.02002
   D128       0.00967   0.00001  -0.00025   0.00096   0.00072   0.01039
   D129      -3.10351   0.00002  -0.00041   0.00170   0.00130  -3.10221
   D130      -3.13651   0.00001   0.00011   0.00022   0.00033  -3.13618
   D131       0.03349   0.00001  -0.00004   0.00095   0.00091   0.03440
   D132       0.61519   0.00001  -0.00133  -0.00023  -0.00156   0.61362
   D133      -2.52706   0.00001  -0.00125   0.00006  -0.00119  -2.52825
   D134      -2.52159   0.00001  -0.00171   0.00055  -0.00116  -2.52275
   D135       0.61935   0.00001  -0.00163   0.00084  -0.00079   0.61856
   D136      -3.13213  -0.00000   0.00001  -0.00024  -0.00023  -3.13236
   D137      -0.03620  -0.00001  -0.00005  -0.00029  -0.00034  -0.03654
   D138       0.00979   0.00000   0.00002   0.00001   0.00003   0.00982
   D139       3.10571  -0.00000  -0.00004  -0.00004  -0.00007   3.10564
   D140      -3.13513   0.00000  -0.00013   0.00021   0.00008  -3.13505
   D141      -0.03872  -0.00000  -0.00040   0.00008  -0.00032  -0.03904
   D142       0.00614   0.00000  -0.00014  -0.00004  -0.00019   0.00596
   D143       3.10255  -0.00000  -0.00041  -0.00017  -0.00058   3.10196
   D144      -3.13380  -0.00000  -0.00056   0.00004  -0.00052  -3.13432
   D145      -0.03756  -0.00000  -0.00001  -0.00052  -0.00054  -0.03810
   D146       0.00909   0.00000  -0.00035   0.00005  -0.00030   0.00879
   D147       3.10533  -0.00000   0.00020  -0.00052  -0.00032   3.10501
   D148      -3.13314   0.00000   0.00033  -0.00003   0.00030  -3.13284
   D149      -0.03855  -0.00000   0.00017   0.00017   0.00035  -0.03820
   D150       0.00716  -0.00000   0.00012  -0.00004   0.00009   0.00724
   D151       3.10175  -0.00000  -0.00004   0.00017   0.00014   3.10189
   D152       3.13364  -0.00000   0.00010   0.00045   0.00054   3.13418
   D153       0.03662   0.00000   0.00026   0.00037   0.00063   0.03725
   D154      -0.00733  -0.00000   0.00001   0.00017   0.00018  -0.00714
   D155      -3.10434   0.00000   0.00017   0.00009   0.00027  -3.10407
   D156       3.13593   0.00000  -0.00015  -0.00026  -0.00040   3.13552
   D157       0.03567   0.00000   0.00016  -0.00045  -0.00029   0.03538
   D158      -0.00630   0.00000  -0.00006   0.00002  -0.00004  -0.00634
   D159      -3.10656  -0.00000   0.00024  -0.00017   0.00007  -3.10649
   D160      -0.01653  -0.00000   0.00030  -0.00004   0.00025  -0.01628
   D161       3.10162   0.00000   0.00035  -0.00047  -0.00012   3.10150
   D162      -3.11299   0.00000  -0.00025   0.00052   0.00027  -3.11272
   D163       0.00516   0.00000  -0.00020   0.00010  -0.00010   0.00506
   D164       0.00759   0.00000  -0.00002   0.00003   0.00002   0.00761
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   D168       0.00841   0.00000  -0.00020  -0.00003  -0.00023   0.00818
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   D171       0.03244   0.00000   0.00012   0.00005   0.00017   0.03261
   D172       0.94096  -0.00002  -0.00129  -0.00250  -0.00379   0.93717
   D173      -2.19953  -0.00001  -0.00137  -0.00263  -0.00400  -2.20353
   D174      -2.20058  -0.00002  -0.00123  -0.00261  -0.00384  -2.20442
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   D179       0.00664   0.00000  -0.00008  -0.00015  -0.00022   0.00642
   D180      -0.01663  -0.00000   0.00016   0.00001   0.00017  -0.01646
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   D193       0.95395  -0.00007  -0.00080  -0.00426  -0.00506   0.94889
   D194       0.95176  -0.00007  -0.00078  -0.00429  -0.00507   0.94669
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   D199       0.00655   0.00000   0.00009  -0.00009   0.00000   0.00656
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   D211      -0.02900   0.00000  -0.00005  -0.00008  -0.00013  -0.02913
   D212       2.18230   0.00006   0.00083   0.00348   0.00430   2.18660
   D213      -0.96018   0.00007   0.00066   0.00339   0.00404  -0.95613
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   D255      -0.02538  -0.00002  -0.00103  -0.00194  -0.00297  -0.02834
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   D258      -3.12235   0.00001   0.00032   0.00072   0.00103  -3.12131
   D259       0.01377   0.00001   0.00049   0.00098   0.00147   0.01524
   D260       0.00215  -0.00000  -0.00020   0.00004  -0.00015   0.00200
   D261       3.11342  -0.00000  -0.00024  -0.00053  -0.00078   3.11264
   D262      -3.13005   0.00001   0.00033   0.00090   0.00122  -3.12883
   D263      -0.01879   0.00001   0.00028   0.00032   0.00060  -0.01819
   D264      -3.12300   0.00001   0.00045   0.00073   0.00118  -3.12182
   D265       0.01340   0.00001   0.00060   0.00102   0.00162   0.01502
   D266       0.00620  -0.00000  -0.00024  -0.00040  -0.00064   0.00556
   D267      -3.14059  -0.00000  -0.00009  -0.00010  -0.00020  -3.14079
   D268       3.12219  -0.00001  -0.00020  -0.00082  -0.00102   3.12117
   D269      -0.01270  -0.00000  -0.00017  -0.00056  -0.00073  -0.01343
   D270       0.01776  -0.00000  -0.00013  -0.00011  -0.00024   0.01752
   D271      -3.11712  -0.00000  -0.00010   0.00014   0.00004  -3.11708
   D272       0.00192  -0.00000  -0.00010  -0.00004  -0.00014   0.00177
   D273      -3.13059   0.00001   0.00027   0.00073   0.00100  -3.12958
   D274       3.11447  -0.00001  -0.00035  -0.00075  -0.00110   3.11337
   D275      -0.01804   0.00000   0.00002   0.00003   0.00005  -0.01799
   D276       3.12296  -0.00001  -0.00023  -0.00073  -0.00096   3.12199
   D277      -0.01134  -0.00001  -0.00006  -0.00052  -0.00059  -0.01193
   D278       0.01695   0.00000   0.00008   0.00013   0.00021   0.01716
   D279      -3.11735   0.00000   0.00025   0.00034   0.00059  -3.11676
   D280      -0.00234   0.00000   0.00013   0.00004   0.00017  -0.00217
   D281       3.12854  -0.00001  -0.00023  -0.00094  -0.00117   3.12737
   D282       3.12834  -0.00001  -0.00032  -0.00089  -0.00121   3.12713
   D283      -0.02397  -0.00003  -0.00067  -0.00187  -0.00254  -0.02651
   D284       0.00599  -0.00000  -0.00013  -0.00024  -0.00038   0.00561
   D285      -3.14080  -0.00000   0.00007  -0.00004   0.00003  -3.14077
   D286      -3.12360   0.00001   0.00036   0.00078   0.00114  -3.12246
   D287       0.01281   0.00001   0.00056   0.00098   0.00154   0.01434
   D288       0.00192  -0.00000  -0.00011  -0.00002  -0.00013   0.00179
   D289       3.11483  -0.00001  -0.00031  -0.00079  -0.00110   3.11374
   D290      -3.13075   0.00001   0.00019   0.00079   0.00098  -3.12977
   D291      -0.01784   0.00000  -0.00001   0.00002   0.00001  -0.01782
   D292      -3.12380   0.00001   0.00029   0.00082   0.00111  -3.12269
   D293       0.01276   0.00001   0.00037   0.00097   0.00134   0.01410
   D294       0.00600  -0.00000  -0.00010  -0.00026  -0.00036   0.00564
   D295      -3.14062  -0.00000  -0.00002  -0.00010  -0.00013  -3.14075
   D296       3.12318  -0.00001  -0.00016  -0.00079  -0.00095   3.12223
   D297      -0.01208  -0.00001   0.00007  -0.00046  -0.00039  -0.01247
   D298       0.01673   0.00000   0.00009   0.00015   0.00024   0.01698
   D299      -3.11854   0.00000   0.00032   0.00048   0.00081  -3.11773
   D300      -0.00193   0.00000   0.00015   0.00000   0.00016  -0.00177
   D301       3.13078  -0.00001  -0.00020  -0.00068  -0.00089   3.12989
   D302      -3.11527   0.00001   0.00027   0.00064   0.00092  -3.11436
   D303       0.01743  -0.00000  -0.00008  -0.00005  -0.00013   0.01731
   D304      -3.12338   0.00001   0.00007   0.00074   0.00081  -3.12257
   D305       0.01200   0.00001  -0.00001   0.00035   0.00035   0.01235
   D306      -0.01638   0.00000  -0.00008  -0.00005  -0.00013  -0.01651
   D307       3.11900  -0.00000  -0.00016  -0.00043  -0.00059   3.11841
   D308       0.00225   0.00000  -0.00023   0.00005  -0.00018   0.00206
   D309      -3.12885   0.00001   0.00030   0.00100   0.00130  -3.12755
   D310      -3.12867   0.00001   0.00019   0.00087   0.00106  -3.12760
   D311       0.02343   0.00003   0.00073   0.00182   0.00255   0.02598
   D312      -0.00583   0.00000   0.00020   0.00020   0.00039  -0.00544
   D313       3.14066   0.00000  -0.00004   0.00006   0.00002   3.14068
   D314       3.12401  -0.00001  -0.00027  -0.00071  -0.00098   3.12303
   D315      -0.01268  -0.00001  -0.00051  -0.00085  -0.00136  -0.01404
   D316      -0.00176  -0.00000   0.00022  -0.00008   0.00015  -0.00162
   D317      -3.11532   0.00001   0.00040   0.00070   0.00111  -3.11421
   D318       3.13109  -0.00001  -0.00022  -0.00087  -0.00109   3.13000
   D319       0.01754  -0.00000  -0.00004  -0.00009  -0.00014   0.01740
   D320       3.12414  -0.00001  -0.00044  -0.00078  -0.00122   3.12292
   D321      -0.01241  -0.00001  -0.00054  -0.00104  -0.00158  -0.01399
   D322      -0.00591   0.00000   0.00015   0.00026   0.00041  -0.00549
   D323       3.14073   0.00000   0.00005   0.00001   0.00005   3.14078
   D324      -3.12367   0.00001   0.00015   0.00088   0.00104  -3.12264
   D325       0.01143   0.00001   0.00005   0.00062   0.00067   0.01210
   D326      -0.01642   0.00000  -0.00007  -0.00008  -0.00015  -0.01657
   D327       3.11868   0.00000  -0.00017  -0.00034  -0.00051   3.11817
   D328       0.00655   0.00000   0.00007   0.00028   0.00035   0.00690
   D329      -3.13998  -0.00000  -0.00018  -0.00002  -0.00019  -3.14017
   D330      -3.12984  -0.00000  -0.00008  -0.00002  -0.00009  -3.12993
   D331       0.00682  -0.00000  -0.00032  -0.00031  -0.00063   0.00618
   D332      -0.00744   0.00000   0.00008  -0.00007   0.00001  -0.00743
   D333       3.13094   0.00000  -0.00005   0.00007   0.00002   3.13096
   D334       3.13908   0.00000   0.00032   0.00023   0.00055   3.13963
   D335      -0.00572   0.00000   0.00019   0.00037   0.00056  -0.00517
   D336      -0.00471   0.00000  -0.00005  -0.00002  -0.00006  -0.00477
   D337       3.13020  -0.00000  -0.00008  -0.00027  -0.00035   3.12985
   D338       3.14008  -0.00000   0.00008  -0.00016  -0.00007   3.14001
   D339      -0.00820  -0.00000   0.00005  -0.00041  -0.00036  -0.00855
   D340      -0.00462  -0.00000  -0.00009   0.00001  -0.00007  -0.00470
   D341       3.14063  -0.00000   0.00014  -0.00022  -0.00008   3.14054
   D342       3.12938  -0.00000  -0.00024  -0.00026  -0.00050   3.12888
   D343      -0.00856  -0.00000  -0.00001  -0.00049  -0.00050  -0.00906
   D344      -0.00771   0.00000   0.00012  -0.00014  -0.00002  -0.00773
   D345       3.13930   0.00000   0.00031   0.00016   0.00047   3.13977
   D346       3.13022   0.00000  -0.00010   0.00009  -0.00001   3.13020
   D347      -0.00596   0.00000   0.00009   0.00039   0.00047  -0.00548
   D348       0.00670   0.00000   0.00006   0.00031   0.00037   0.00707
   D349      -3.12942  -0.00000  -0.00011   0.00005  -0.00006  -3.12948
   D350      -3.14033   0.00000  -0.00013   0.00001  -0.00012  -3.14045
   D351       0.00674  -0.00000  -0.00030  -0.00025  -0.00055   0.00619
   D352       0.00611   0.00000   0.00012   0.00032   0.00044   0.00655
   D353      -3.14020   0.00000  -0.00016   0.00007  -0.00009  -3.14029
   D354      -3.13044   0.00000   0.00005   0.00016   0.00021  -3.13023
   D355       0.00643  -0.00000  -0.00023  -0.00009  -0.00032   0.00612
   D356      -0.00709  -0.00000  -0.00004  -0.00014  -0.00018  -0.00727
   D357       3.13147  -0.00000  -0.00012  -0.00003  -0.00015   3.13132
   D358       3.13921   0.00000   0.00024   0.00011   0.00035   3.13956
   D359      -0.00542   0.00000   0.00016   0.00021   0.00038  -0.00504
   D360      -0.00432  -0.00000  -0.00007  -0.00010  -0.00017  -0.00449
   D361       3.13097  -0.00000  -0.00030  -0.00043  -0.00072   3.13024
   D362       3.14029  -0.00000   0.00001  -0.00020  -0.00020   3.14009
   D363      -0.00760  -0.00000  -0.00022  -0.00053  -0.00076  -0.00836
   D364      -0.00434  -0.00000  -0.00008  -0.00008  -0.00016  -0.00450
   D365       3.14080  -0.00000   0.00001  -0.00020  -0.00019   3.14060
   D366       3.12998  -0.00000  -0.00024  -0.00029  -0.00053   3.12945
   D367      -0.00807  -0.00000  -0.00016  -0.00041  -0.00057  -0.00863
   D368      -0.00729  -0.00000  -0.00004  -0.00013  -0.00017  -0.00745
   D369       3.13946   0.00000   0.00026   0.00012   0.00038   3.13983
   D370       3.13075  -0.00000  -0.00012  -0.00001  -0.00013   3.13061
   D371      -0.00570   0.00000   0.00017   0.00024   0.00041  -0.00528
   D372       0.00632   0.00000   0.00015   0.00029   0.00044   0.00676
   D373      -3.13007   0.00000  -0.00006   0.00009   0.00004  -3.13004
   D374      -3.14043   0.00000  -0.00015   0.00004  -0.00011  -3.14054
   D375       0.00636  -0.00000  -0.00035  -0.00016  -0.00052   0.00584
   D376      -0.00603  -0.00000  -0.00014  -0.00027  -0.00042  -0.00644
   D377       3.14034  -0.00000   0.00014  -0.00006   0.00007   3.14041
   D378       3.13052   0.00000  -0.00004  -0.00001  -0.00006   3.13046
   D379      -0.00631   0.00000   0.00024   0.00019   0.00043  -0.00588
   D380       0.00702  -0.00000   0.00003   0.00010   0.00013   0.00715
   D381      -3.13139  -0.00000   0.00009  -0.00000   0.00009  -3.13130
   D382      -3.13933  -0.00000  -0.00025  -0.00010  -0.00036  -3.13969
   D383       0.00545  -0.00000  -0.00018  -0.00021  -0.00040   0.00505
   D384       0.00420   0.00000   0.00008   0.00007   0.00015   0.00436
   D385      -3.13092   0.00000   0.00018   0.00033   0.00052  -3.13041
   D386      -3.14057   0.00000   0.00001   0.00018   0.00019  -3.14037
   D387       0.00749   0.00000   0.00012   0.00044   0.00056   0.00805
   D388       0.00426   0.00000   0.00013  -0.00001   0.00012   0.00438
   D389      -3.14039   0.00000  -0.00002   0.00015   0.00013  -3.14026
   D390      -3.13114   0.00000   0.00020   0.00037   0.00057  -3.13056
   D391       0.00739   0.00000   0.00006   0.00053   0.00059   0.00798
   D392       0.00692   0.00000  -0.00000   0.00016   0.00016   0.00708
   D393      -3.13928  -0.00000  -0.00029  -0.00009  -0.00038  -3.13966
   D394      -3.13160  -0.00000   0.00014   0.00000   0.00014  -3.13146
   D395       0.00538  -0.00000  -0.00015  -0.00025  -0.00040   0.00499
   D396      -0.00600  -0.00000  -0.00016  -0.00025  -0.00041  -0.00641
   D397       3.13068  -0.00000   0.00008  -0.00012  -0.00004   3.13065
   D398       3.14022  -0.00000   0.00012   0.00000   0.00013   3.14034
   D399      -0.00628  -0.00000   0.00036   0.00014   0.00050  -0.00578
   D400       1.64738   0.00006  -0.00292  -0.01886  -0.02201   1.62538
   D401      -0.61649   0.00001  -0.00251  -0.01869  -0.02130  -0.63779
   D402      -2.83952  -0.00001  -0.00247  -0.01745  -0.02002  -2.85954
   D403      -3.08777  -0.00005  -0.00019  -0.00266  -0.00286  -3.09063
   D404      -0.91434  -0.00003  -0.00016  -0.00189  -0.00207  -0.91640
   D405       1.30681   0.00001  -0.00022  -0.00364  -0.00383   1.30298
   D406       2.69147   0.00001   0.00492   0.02153   0.02642   2.71789
   D407      -1.48157   0.00003   0.00476   0.02116   0.02584  -1.45573
   D408       0.56518   0.00003   0.00539   0.02192   0.02726   0.59244
   D409       3.01011  -0.00002   0.00108   0.00177   0.00285   3.01296
   D410      -1.16347  -0.00001   0.00108   0.00189   0.00297  -1.16050
   D411       0.89373  -0.00001   0.00116   0.00184   0.00300   0.89673
   D412       3.11145   0.00001   0.00065   0.00112   0.00174   3.11319
   D413      -1.08539   0.00001   0.00058   0.00126   0.00181  -1.08358
   D414       1.02583   0.00001   0.00094   0.00070   0.00161   1.02744
   D415       1.05075  -0.00000   0.00056   0.00017   0.00078   1.05153
   D416       3.13710  -0.00000   0.00049   0.00031   0.00085   3.13795
   D417      -1.03486  -0.00000   0.00085  -0.00025   0.00065  -1.03422
   D418      -1.08669  -0.00001  -0.00007   0.00166   0.00157  -1.08511
   D419       0.99966  -0.00001  -0.00014   0.00180   0.00164   1.00130
   D420       3.11088  -0.00001   0.00022   0.00124   0.00144   3.11232
   D421       1.30007  -0.00004  -0.00142   0.00193   0.00047   1.30054
   D422      -2.92234  -0.00001  -0.00137   0.00261   0.00125  -2.92110
   D423      -0.74745  -0.00002  -0.00124   0.00075  -0.00046  -0.74791
   D424      -1.39048   0.00000   0.00040  -0.00390  -0.00334  -1.39382
   D425       2.81772  -0.00000   0.00075  -0.00441  -0.00360   2.81412
   D426       0.64593  -0.00001   0.00066  -0.00246  -0.00173   0.64420
   D427       1.04796   0.00000   0.00049   0.00035   0.00085   1.04880
   D428       3.13764   0.00000   0.00056   0.00041   0.00098   3.13862
   D429      -1.05715   0.00000   0.00053   0.00039   0.00092  -1.05624
   D430      -1.02619  -0.00000   0.00048   0.00027   0.00075  -1.02544
   D431       1.06349   0.00000   0.00055   0.00033   0.00088   1.06437
   D432      -3.13130  -0.00000   0.00051   0.00031   0.00082  -3.13048
   D433       3.12799  -0.00000   0.00032   0.00045   0.00077   3.12876
   D434      -1.06551   0.00000   0.00039   0.00051   0.00090  -1.06461
   D435       1.02288  -0.00000   0.00035   0.00049   0.00084   1.02372
   D436      -1.33589  -0.00001  -0.00445  -0.01827  -0.02254  -1.35843
   D437      -1.24402   0.00001  -0.00232  -0.01268  -0.01505  -1.25906
   D438       0.41331   0.00001   0.00022  -0.00056  -0.00029   0.41302
   D439       1.11762  -0.00010  -0.00583  -0.02013  -0.02588   1.09174
   D440       0.93013   0.00001  -0.00354  -0.01437  -0.01793   0.91220
   D441      -0.39299   0.00001  -0.00016   0.00108   0.00089  -0.39210
         Item               Value     Threshold  Converged?
 Maximum Force            0.000654     0.000450     NO 
 RMS     Force            0.000048     0.000300     YES
 Maximum Displacement     0.108584     0.001800     NO 
 RMS     Displacement     0.019148     0.001200     NO 
 Predicted change in Energy=-3.360455D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.829348    2.896677    0.552315
      2          6           0       -2.063232    1.521511    0.681002
      3          6           0       -1.015878    0.592983    0.719095
      4          6           0        0.311333    1.067605    0.666072
      5          6           0        0.554426    2.437497    0.506147
      6          6           0       -0.497157    3.339314    0.446552
      7          6           0       -1.235708   -0.867209    0.703086
      8          6           0       -0.168224   -1.747878    1.010552
      9          6           0        1.122703   -1.165699    1.519860
     10          6           0        1.436655    0.131403    0.819017
     11          6           0       -2.441232   -1.403322    0.236724
     12          6           0       -2.621285   -2.776791    0.028160
     13          6           0       -1.521074   -3.617932    0.245839
     14          6           0       -0.318540   -3.107722    0.718268
     15          7           0        2.231316   -2.056699    1.677122
     16          6           0        3.526345   -1.645318    1.240483
     17          6           0        3.674998   -0.381974    0.623973
     18          7           0        2.612088    0.485026    0.431938
     19          6           0        4.667219   -2.456505    1.344643
     20          6           0        5.899574   -2.017315    0.877112
     21          6           0        6.066110   -0.757640    0.273566
     22          6           0        4.927852    0.038280    0.155407
     23          6           0       -2.956272    3.860211    0.528405
     24          6           0       -3.917857   -3.308733   -0.455289
     25          6           0        7.387771   -0.301361   -0.219038
     26          6           0       -3.974053   -4.372180   -1.371967
     27          6           0       -5.190598   -4.865899   -1.832345
     28          6           0       -6.394350   -4.318184   -1.370253
     29          6           0       -6.355233   -3.264111   -0.448522
     30          6           0       -5.133651   -2.764381   -0.008031
     31          6           0       -2.847205    5.117113    1.147738
     32          6           0       -3.904106    6.021950    1.138733
     33          6           0       -5.102022    5.700157    0.488138
     34          6           0       -5.223165    4.455786   -0.143270
     35          6           0       -4.167522    3.549957   -0.113218
     36          6           0        8.304244   -1.203295   -0.785771
     37          6           0        9.542187   -0.776879   -1.257101
     38          6           0        9.907362    0.571485   -1.158805
     39          6           0        9.008435    1.482081   -0.589289
     40          6           0        7.766506    1.049317   -0.135125
     41          7           0       -6.179064    6.623027    0.467927
     42          7           0       -7.636488   -4.824622   -1.829950
     43          7           0       11.172049    1.009401   -1.630254
     44          6           0       -8.040110   -6.165715   -1.791768
     45          6           0       -9.342707   -6.270354   -2.342379
     46          6           0       -9.743071   -4.934502   -2.732327
     47          6           0       -8.669415   -4.069508   -2.400853
     48          6           0       -7.490503    6.361485    0.884763
     49          6           0       -8.271924    7.531614    0.707938
     50          6           0       -7.394593    8.543833    0.157945
     51          6           0       -6.113588    7.950187    0.024740
     52          6           0       11.390631    2.036255   -2.557211
     53          6           0       12.785782    2.174850   -2.770737
     54          6           0       13.438775    1.189793   -1.934079
     55          6           0       12.414527    0.489452   -1.247092
     56          6           0      -10.892089   -4.409211   -3.334565
     57          6           0      -10.954137   -3.045139   -3.602404
     58          6           0       -9.875048   -2.204448   -3.281089
     59          6           0       -8.720132   -2.701153   -2.680892
     60          6           0       -7.370572   -7.281274   -1.281211
     61          6           0       -8.017643   -8.513122   -1.349463
     62          6           0       -9.301963   -8.637038   -1.905873
     63          6           0       -9.969776   -7.520308   -2.399109
     64          6           0       -7.583538    9.873156   -0.237138
     65          6           0       -6.508134   10.584512   -0.760440
     66          6           0       -5.249023    9.976232   -0.899141
     67          6           0       -5.033340    8.655129   -0.513273
     68          6           0       -8.032517    5.196435    1.434568
     69          6           0       -9.380052    5.212322    1.787555
     70          6           0      -10.172444    6.358414    1.605268
     71          6           0       -9.623677    7.520043    1.070650
     72          6           0       14.777994    0.855211   -1.702798
     73          6           0       15.077414   -0.156597   -0.795584
     74          6           0       14.050672   -0.830592   -0.112760
     75          6           0       12.709699   -0.518111   -0.324535
     76          6           0       10.463583    2.824776   -3.244402
     77          6           0       10.955886    3.772947   -4.138391
     78          6           0       12.335647    3.933379   -4.351380
     79          6           0       13.253351    3.135956   -3.674452
     80          8           0        0.750141   -3.527541    3.448977
     81         15           0        2.085841   -3.358741    2.849213
     82          8           0        3.302660   -3.160018    3.874484
     83          8           0        2.624889   -4.578125    1.944937
     84          6           0        3.135555   -2.395819    5.110004
     85          6           0        4.182832   -2.877674    6.093219
     86          6           0        2.617598   -5.917921    2.520599
     87          6           0        2.991282   -6.894763    1.424073
     88          1           0       -3.085164    1.176831    0.791804
     89          1           0        1.582685    2.774805    0.443858
     90          1           0       -0.291277    4.396261    0.310959
     91          1           0       -3.242203   -0.730011   -0.045162
     92          1           0       -1.608717   -4.684051    0.064183
     93          1           0        0.514213   -3.786062    0.833311
     94          1           0        4.606321   -3.437528    1.788323
     95          1           0        6.758825   -2.668162    1.004744
     96          1           0        4.961707    1.007635   -0.329744
     97          1           0       -3.052420   -4.791965   -1.762731
     98          1           0       -5.214609   -5.662638   -2.568138
     99          1           0       -7.284048   -2.856371   -0.064080
    100          1           0       -5.122591   -1.966849    0.728404
    101          1           0       -1.936716    5.373156    1.680355
    102          1           0       -3.815029    6.972740    1.653411
    103          1           0       -6.137823    4.213638   -0.673951
    104          1           0       -4.270153    2.602233   -0.632573
    105          1           0        8.029158   -2.247510   -0.897578
    106          1           0       10.222906   -1.481414   -1.723190
    107          1           0        9.296774    2.522795   -0.485764
    108          1           0        7.094237    1.765249    0.327323
    109          1           0      -11.722279   -5.060300   -3.593064
    110          1           0      -11.840388   -2.625353   -4.068012
    111          1           0       -9.938308   -1.144060   -3.506943
    112          1           0       -7.888187   -2.046636   -2.446432
    113          1           0       -6.384338   -7.193429   -0.839476
    114          1           0       -7.516795   -9.394568   -0.960008
    115          1           0       -9.777289   -9.612237   -1.945172
    116          1           0      -10.967160   -7.614968   -2.818897
    117          1           0       -8.559190   10.340768   -0.139993
    118          1           0       -6.641683   11.616621   -1.069339
    119          1           0       -4.424263   10.544822   -1.318604
    120          1           0       -4.061051    8.190631   -0.633637
    121          1           0       -7.425942    4.311127    1.589155
    122          1           0       -9.823987    4.318472    2.215825
    123          1           0      -11.219904    6.336509    1.889589
    124          1           0      -10.234196    8.408962    0.939967
    125          1           0       15.572716    1.382752   -2.222535
    126          1           0       16.112269   -0.426011   -0.608452
    127          1           0       14.304878   -1.610900    0.598608
    128          1           0       11.924127   -1.036090    0.214207
    129          1           0        9.397011    2.700842   -3.093761
    130          1           0       10.254941    4.398463   -4.683254
    131          1           0       12.685802    4.683190   -5.054005
    132          1           0       14.319327    3.253687   -3.847204
    133          1           0        3.260828   -1.338271    4.865038
    134          1           0        2.119165   -2.549117    5.479401
    135          1           0        4.102703   -2.303057    7.021398
    136          1           0        4.041147   -3.935906    6.330340
    137          1           0        5.190509   -2.741674    5.690704
    138          1           0        3.338019   -5.943052    3.344838
    139          1           0        1.619418   -6.118582    2.920800
    140          1           0        3.985111   -6.674219    1.025094
    141          1           0        2.998021   -7.913036    1.825175
    142          1           0        2.270832   -6.851748    0.602840
    143         17           0        0.733540   -0.368656    3.395068
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0178007           0.0074002           0.0058168
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13523.2453313314 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.75D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000413   -0.000066   -0.000886 Ang=   0.11 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.68067770     A.U. after   11 cycles
            NFock= 11  Conv=0.53D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000053680   -0.000032058    0.000005267
      2        6          -0.000003446   -0.000017385    0.000065852
      3        6           0.000043139    0.000075065   -0.000005910
      4        6          -0.000124614   -0.000155782   -0.000095968
      5        6          -0.000000853    0.000059173    0.000066587
      6        6          -0.000001374   -0.000023164    0.000006155
      7        6           0.000106293    0.000005501   -0.000064612
      8        6           0.000252434    0.000340538    0.000197722
      9        6          -0.000047884   -0.000084621    0.000264307
     10        6           0.000111694   -0.000369480   -0.000064401
     11        6           0.000034283    0.000020690    0.000017640
     12        6          -0.000166941   -0.000093733   -0.000052659
     13        6           0.000076503    0.000023710   -0.000044096
     14        6           0.000000621   -0.000064349    0.000118630
     15        7          -0.000684910    0.000170369   -0.000158006
     16        6           0.000077266    0.000190740   -0.000008096
     17        6           0.000044002   -0.000137161    0.000070436
     18        7           0.000025326    0.000115177    0.000097907
     19        6           0.000005416   -0.000009233   -0.000063570
     20        6           0.000001041    0.000032267    0.000016068
     21        6           0.000039659   -0.000027772   -0.000018391
     22        6          -0.000039500   -0.000020719    0.000005398
     23        6          -0.000099213    0.000042410   -0.000004588
     24        6           0.000118768    0.000093417    0.000044256
     25        6           0.000000158    0.000017301    0.000015971
     26        6          -0.000026529   -0.000073255   -0.000051334
     27        6           0.000052340    0.000046262   -0.000010978
     28        6           0.000060906    0.000064018    0.000041733
     29        6           0.000022146   -0.000001057    0.000027770
     30        6          -0.000076885   -0.000008283   -0.000004391
     31        6           0.000027623    0.000007721   -0.000018199
     32        6           0.000036432    0.000014526   -0.000021091
     33        6          -0.000039864    0.000025911    0.000003265
     34        6           0.000018718   -0.000046547    0.000017350
     35        6           0.000003723   -0.000002352    0.000022102
     36        6           0.000023757    0.000004418   -0.000028143
     37        6          -0.000016303   -0.000050123    0.000022212
     38        6          -0.000017350    0.000001982    0.000006762
     39        6          -0.000028038   -0.000010102   -0.000017778
     40        6           0.000012567    0.000027083    0.000014976
     41        7           0.000137680   -0.000061206   -0.000011014
     42        7          -0.000018248   -0.000005650    0.000011769
     43        7          -0.000071175   -0.000037438    0.000024602
     44        6          -0.000013202   -0.000104737   -0.000015564
     45        6          -0.000006642    0.000042522    0.000037901
     46        6           0.000054632   -0.000003789   -0.000017672
     47        6          -0.000082379    0.000014674   -0.000048833
     48        6          -0.000154984   -0.000053131   -0.000026998
     49        6           0.000042704   -0.000013168   -0.000005424
     50        6           0.000038854   -0.000020459    0.000012694
     51        6          -0.000048976    0.000136986    0.000037703
     52        6           0.000014946    0.000121886   -0.000027765
     53        6          -0.000018029   -0.000030752    0.000020784
     54        6          -0.000040106   -0.000011644    0.000004208
     55        6           0.000125915   -0.000009442   -0.000024603
     56        6          -0.000009341   -0.000032340    0.000028198
     57        6           0.000031834    0.000052059   -0.000004507
     58        6          -0.000031408   -0.000009915   -0.000012851
     59        6           0.000032069   -0.000016178    0.000009540
     60        6          -0.000011713    0.000033098    0.000014530
     61        6          -0.000015488   -0.000024306   -0.000013211
     62        6           0.000040853    0.000007190    0.000039539
     63        6          -0.000012528    0.000011756   -0.000036504
     64        6          -0.000026046   -0.000013816    0.000013990
     65        6           0.000059218   -0.000007997   -0.000025706
     66        6          -0.000026359    0.000031865    0.000000311
     67        6           0.000002370   -0.000043951   -0.000016014
     68        6           0.000034023    0.000025244    0.000004645
     69        6          -0.000043325   -0.000000483    0.000002087
     70        6           0.000046936   -0.000041135    0.000028701
     71        6          -0.000005278    0.000027675   -0.000026966
     72        6           0.000001983    0.000011900   -0.000029554
     73        6          -0.000028809   -0.000034290    0.000043817
     74        6           0.000033491    0.000006742   -0.000007101
     75        6          -0.000031013    0.000013092    0.000006106
     76        6           0.000009771   -0.000034813    0.000006099
     77        6           0.000015938    0.000027786   -0.000016293
     78        6          -0.000054777   -0.000031118   -0.000015405
     79        6           0.000024271    0.000006162    0.000023296
     80        8           0.000019728   -0.000037215   -0.000044399
     81       15          -0.000101248    0.000035339   -0.000086853
     82        8           0.000190757   -0.000033459   -0.000016241
     83        8          -0.000038557   -0.000052424   -0.000012601
     84        6          -0.000039893    0.000097776    0.000063980
     85        6          -0.000016627    0.000003268   -0.000025008
     86        6           0.000004470    0.000010375   -0.000014290
     87        6          -0.000023988    0.000012724    0.000010929
     88        1           0.000003629   -0.000010439   -0.000011421
     89        1           0.000008326    0.000011912   -0.000033575
     90        1           0.000012867    0.000009367    0.000011027
     91        1           0.000015468    0.000017438   -0.000058740
     92        1          -0.000012080   -0.000025170    0.000059705
     93        1           0.000030872   -0.000020327    0.000000789
     94        1          -0.000003433   -0.000014155   -0.000042299
     95        1           0.000004134   -0.000004109    0.000012197
     96        1          -0.000002976    0.000007831   -0.000014975
     97        1           0.000016160    0.000013383    0.000016610
     98        1          -0.000028484   -0.000021237   -0.000007282
     99        1          -0.000022545   -0.000016337   -0.000014148
    100        1           0.000017757    0.000007916    0.000005566
    101        1           0.000000068   -0.000004733    0.000009649
    102        1          -0.000022266    0.000005817    0.000004085
    103        1          -0.000018587    0.000006716    0.000001002
    104        1           0.000007456   -0.000008413   -0.000002665
    105        1          -0.000014429   -0.000005803    0.000005886
    106        1           0.000023092    0.000019806   -0.000001007
    107        1           0.000021879    0.000015235   -0.000007415
    108        1          -0.000014666   -0.000014495   -0.000000787
    109        1          -0.000004154    0.000011325   -0.000012400
    110        1          -0.000010440   -0.000010947    0.000008898
    111        1          -0.000000129   -0.000000589   -0.000001640
    112        1           0.000020900   -0.000002341    0.000008610
    113        1           0.000010038    0.000023100   -0.000004109
    114        1          -0.000001893   -0.000000652    0.000001180
    115        1          -0.000005803   -0.000001099   -0.000014566
    116        1           0.000002307   -0.000012977    0.000010407
    117        1           0.000004345    0.000013584   -0.000010381
    118        1          -0.000010300    0.000002998    0.000011932
    119        1          -0.000005601    0.000000671   -0.000005637
    120        1           0.000003847   -0.000012006    0.000018024
    121        1           0.000016036    0.000009219   -0.000013036
    122        1          -0.000004834    0.000003774    0.000003410
    123        1          -0.000009152    0.000004747   -0.000014592
    124        1          -0.000006774   -0.000010275    0.000016571
    125        1           0.000009296   -0.000002785    0.000015521
    126        1           0.000007198    0.000003402   -0.000014390
    127        1           0.000003464    0.000005312    0.000002099
    128        1          -0.000019080   -0.000007145   -0.000019168
    129        1          -0.000003948   -0.000010554    0.000020588
    130        1           0.000003976    0.000000150   -0.000003885
    131        1           0.000010714    0.000010710    0.000009696
    132        1          -0.000006462    0.000003912   -0.000019603
    133        1          -0.000164433    0.000003541    0.000024508
    134        1          -0.000005687    0.000041136    0.000054967
    135        1           0.000022111   -0.000010344   -0.000006114
    136        1          -0.000008637   -0.000013835   -0.000006402
    137        1           0.000002165    0.000006652   -0.000001078
    138        1           0.000011139   -0.000002377   -0.000002774
    139        1          -0.000002767    0.000006576    0.000009238
    140        1           0.000004617    0.000000226   -0.000007287
    141        1           0.000002641    0.000002414    0.000003066
    142        1           0.000003270   -0.000005447   -0.000005525
    143       17           0.000242691   -0.000136647   -0.000268536
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000684910 RMS     0.000064942

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000521280 RMS     0.000038376
 Search for a local minimum.
 Step number  25 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   18   19   20   21   22
                                                     23   24   25
 DE= -2.67D-05 DEPred=-3.36D-05 R= 7.93D-01
 TightC=F SS=  1.41D+00  RLast= 1.20D-01 DXNew= 2.0182D+00 3.5854D-01
 Trust test= 7.93D-01 RLast= 1.20D-01 DXMaxT set to 1.20D+00
 ITU=  1  1  1  1  1  1 -1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  0  0  1  0
     Eigenvalues ---    0.00120   0.00300   0.00418   0.00420   0.00651
     Eigenvalues ---    0.00846   0.01378   0.01594   0.01651   0.02239
     Eigenvalues ---    0.02323   0.02559   0.02609   0.02626   0.02684
     Eigenvalues ---    0.02705   0.02708   0.02714   0.02717   0.02724
     Eigenvalues ---    0.02726   0.02729   0.02733   0.02736   0.02750
     Eigenvalues ---    0.02759   0.02770   0.02771   0.02774   0.02774
     Eigenvalues ---    0.02777   0.02781   0.02785   0.02786   0.02787
     Eigenvalues ---    0.02789   0.02791   0.02791   0.02792   0.02792
     Eigenvalues ---    0.02792   0.02793   0.02795   0.02797   0.02801
     Eigenvalues ---    0.02802   0.02802   0.02803   0.02804   0.02806
     Eigenvalues ---    0.02807   0.02807   0.02808   0.02809   0.02811
     Eigenvalues ---    0.02811   0.02812   0.02814   0.02817   0.02817
     Eigenvalues ---    0.02818   0.02818   0.02819   0.02819   0.02822
     Eigenvalues ---    0.02828   0.02833   0.02841   0.02844   0.02844
     Eigenvalues ---    0.02845   0.02845   0.02846   0.02847   0.02850
     Eigenvalues ---    0.02854   0.02863   0.02865   0.02868   0.02868
     Eigenvalues ---    0.02869   0.02872   0.02873   0.02874   0.02876
     Eigenvalues ---    0.02877   0.02878   0.02878   0.02879   0.02879
     Eigenvalues ---    0.02881   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02886   0.02886   0.02887   0.02891
     Eigenvalues ---    0.02893   0.02893   0.02896   0.02897   0.02897
     Eigenvalues ---    0.02898   0.02899   0.02899   0.02900   0.02904
     Eigenvalues ---    0.02909   0.02910   0.02934   0.02941   0.02942
     Eigenvalues ---    0.02953   0.02980   0.03024   0.03026   0.03026
     Eigenvalues ---    0.03126   0.03133   0.03134   0.03134   0.03149
     Eigenvalues ---    0.03169   0.03234   0.03277   0.03486   0.03582
     Eigenvalues ---    0.03993   0.04619   0.04760   0.05377   0.05556
     Eigenvalues ---    0.05579   0.05612   0.05726   0.05736   0.05755
     Eigenvalues ---    0.07504   0.08895   0.09515   0.10484   0.11075
     Eigenvalues ---    0.11430   0.11626   0.12606   0.13659   0.15248
     Eigenvalues ---    0.15613   0.15794   0.15892   0.15933   0.15972
     Eigenvalues ---    0.15982   0.15986   0.15986   0.15987   0.15988
     Eigenvalues ---    0.15992   0.15994   0.15996   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15998   0.15998   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16002   0.16004
     Eigenvalues ---    0.16005   0.16009   0.16030   0.16073   0.16114
     Eigenvalues ---    0.16161   0.16638   0.17336   0.18728   0.19917
     Eigenvalues ---    0.20867   0.21990   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22001   0.22003
     Eigenvalues ---    0.22026   0.22383   0.22415   0.22505   0.22601
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22603   0.22695
     Eigenvalues ---    0.22950   0.22968   0.22987   0.23139   0.23260
     Eigenvalues ---    0.23441   0.23512   0.23735   0.23968   0.24000
     Eigenvalues ---    0.24196   0.24476   0.24486   0.24489   0.24491
     Eigenvalues ---    0.24525   0.24535   0.24754   0.24884   0.24976
     Eigenvalues ---    0.24984   0.24985   0.24985   0.24986   0.24987
     Eigenvalues ---    0.24993   0.24996   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25002   0.25005   0.25011   0.25024
     Eigenvalues ---    0.25068   0.25108   0.25440   0.26415   0.27959
     Eigenvalues ---    0.28235   0.29171   0.29780   0.29788   0.30540
     Eigenvalues ---    0.32016   0.32098   0.32128   0.32141   0.32148
     Eigenvalues ---    0.32156   0.32178   0.32219   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33295   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33459   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33634   0.33638
     Eigenvalues ---    0.33641   0.33643   0.33647   0.33663   0.33702
     Eigenvalues ---    0.33722   0.33742   0.33820   0.33830   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33922   0.33941
     Eigenvalues ---    0.33947   0.33955   0.33960   0.34443   0.34482
     Eigenvalues ---    0.34816   0.34920   0.35056   0.38573   0.40838
     Eigenvalues ---    0.41725   0.42971   0.44428   0.44432   0.44439
     Eigenvalues ---    0.44452   0.45460   0.46788   0.48749   0.48931
     Eigenvalues ---    0.48974   0.49074   0.49239   0.49426   0.49796
     Eigenvalues ---    0.49806   0.49824   0.49849   0.49908   0.49944
     Eigenvalues ---    0.50019   0.50162   0.50380   0.50408   0.50437
     Eigenvalues ---    0.50610   0.50614   0.50617   0.51406   0.51543
     Eigenvalues ---    0.51999   0.52328   0.52653   0.52802   0.53307
     Eigenvalues ---    0.54072   0.54112   0.54199   0.54201   0.54206
     Eigenvalues ---    0.54247   0.54408   0.54932   0.55131   0.55279
     Eigenvalues ---    0.55321   0.55340   0.55355   0.55386   0.55418
     Eigenvalues ---    0.55423   0.55485   0.55574   0.55618   0.55700
     Eigenvalues ---    0.55702   0.55753   0.55762   0.55939   0.55948
     Eigenvalues ---    0.56063   0.56147   0.56153   0.56153   0.56225
     Eigenvalues ---    0.56271   0.56309   0.56410   0.56662   0.56663
     Eigenvalues ---    0.56665   0.56670   0.56672   0.56682   0.56854
     Eigenvalues ---    0.56907   0.56915   0.56954   0.57125   0.57174
     Eigenvalues ---    0.57179   0.57190   0.57195   0.57210   0.57613
     Eigenvalues ---    0.61807   0.62642   0.65994   0.66056   0.67649
     Eigenvalues ---    0.67658   0.67661   0.68822   0.69966   0.70081
     Eigenvalues ---    0.72026   0.75018   0.80058
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    25   24   23   22   21   20   19   18   17   16
 RFO step:  Lambda=-1.39837864D-05.
 DidBck=F Rises=F RFO-DIIS coefs:    1.78660   -2.00000    0.75149    0.01802    0.18475
                  RFO-DIIS coefs:   -0.20156    0.38699   -0.00512   -0.19157    0.27041
 Iteration  1 RMS(Cart)=  0.03357230 RMS(Int)=  0.00021025
 Iteration  2 RMS(Cart)=  0.00038793 RMS(Int)=  0.00020262
 Iteration  3 RMS(Cart)=  0.00000014 RMS(Int)=  0.00020262
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64720  -0.00000  -0.00045  -0.00001  -0.00048   2.64671
    R2        2.66032   0.00000   0.00021   0.00003   0.00018   2.66050
    R3        2.80223   0.00005   0.00003   0.00004   0.00007   2.80230
    R4        2.64600  -0.00002   0.00048  -0.00008   0.00044   2.64644
    R5        2.04879   0.00000  -0.00016   0.00007  -0.00009   2.04869
    R6        2.66550  -0.00014  -0.00003  -0.00025   0.00003   2.66552
    R7        2.79062  -0.00004  -0.00116  -0.00011  -0.00105   2.78957
    R8        2.64648   0.00004   0.00040  -0.00003   0.00038   2.64686
    R9        2.78131   0.00000  -0.00091   0.00005  -0.00083   2.78048
   R10        2.62029  -0.00002  -0.00052   0.00006  -0.00049   2.61980
   R11        2.04839   0.00001  -0.00009   0.00002  -0.00008   2.04831
   R12        2.05095   0.00001   0.00002   0.00000   0.00002   2.05097
   R13        2.67891  -0.00010   0.00099  -0.00015   0.00081   2.67971
   R14        2.64440  -0.00001   0.00022  -0.00009   0.00015   2.64455
   R15        2.84391  -0.00052  -0.00931  -0.00020  -0.00977   2.83414
   R16        2.64373   0.00003   0.00194  -0.00001   0.00191   2.64564
   R17        2.84855  -0.00022  -0.00822   0.00014  -0.00875   2.83980
   R18        2.70411  -0.00048  -0.00986  -0.00032  -0.01037   2.69374
   R19        3.92005  -0.00019   0.09308  -0.00151   0.09153   4.01158
   R20        2.43219   0.00003   0.00285  -0.00007   0.00266   2.43485
   R21        2.64719   0.00004  -0.00028   0.00009  -0.00016   2.64703
   R22        2.04786   0.00001  -0.00017   0.00007  -0.00010   2.04775
   R23        2.64924   0.00006   0.00088   0.00006   0.00094   2.65018
   R24        2.80151  -0.00013  -0.00060  -0.00001  -0.00060   2.80090
   R25        2.62501  -0.00002  -0.00129  -0.00001  -0.00132   2.62369
   R26        2.05041   0.00001  -0.00005   0.00002  -0.00003   2.05037
   R27        2.04130   0.00004   0.00019   0.00004   0.00023   2.04153
   R28        2.69708   0.00013  -0.00081  -0.00003  -0.00071   2.69636
   R29        3.32198  -0.00004   0.00840  -0.00064   0.00773   3.32972
   R30        5.35969  -0.00017   0.05164  -0.00082   0.05077   5.41046
   R31        2.67129  -0.00019   0.00077  -0.00036   0.00092   2.67221
   R32        2.65267   0.00002   0.00029  -0.00008   0.00022   2.65289
   R33        2.61735  -0.00006  -0.00235  -0.00002  -0.00201   2.61534
   R34        2.64954  -0.00003   0.00100  -0.00007   0.00096   2.65049
   R35        2.62541   0.00001  -0.00073   0.00001  -0.00073   2.62467
   R36        2.03790  -0.00000   0.00004   0.00013   0.00017   2.03806
   R37        2.65826  -0.00002   0.00101   0.00001   0.00099   2.65925
   R38        2.05121   0.00001  -0.00002   0.00000  -0.00002   2.05119
   R39        2.63417   0.00001  -0.00073   0.00006  -0.00067   2.63350
   R40        2.80141  -0.00002  -0.00002   0.00001  -0.00001   2.80141
   R41        2.04943   0.00001  -0.00002   0.00001  -0.00001   2.04942
   R42        2.65590  -0.00001  -0.00003   0.00000  -0.00003   2.65588
   R43        2.65577  -0.00002  -0.00000  -0.00005  -0.00005   2.65572
   R44        2.65530   0.00004   0.00017   0.00001   0.00018   2.65548
   R45        2.65539   0.00004   0.00016   0.00004   0.00019   2.65559
   R46        2.65545   0.00001  -0.00004   0.00000  -0.00004   2.65541
   R47        2.65559   0.00001  -0.00001  -0.00002  -0.00003   2.65556
   R48        2.62916  -0.00004  -0.00012  -0.00003  -0.00015   2.62901
   R49        2.05131   0.00001  -0.00003   0.00005   0.00002   2.05132
   R50        2.64733   0.00000   0.00008  -0.00003   0.00005   2.64738
   R51        2.04995   0.00001   0.00002  -0.00001   0.00001   2.04996
   R52        2.64709  -0.00002   0.00005  -0.00004   0.00002   2.64711
   R53        2.67962   0.00004  -0.00007   0.00003  -0.00004   2.67958
   R54        2.62939  -0.00003  -0.00011  -0.00002  -0.00013   2.62926
   R55        2.04993   0.00001   0.00001  -0.00000   0.00001   2.04995
   R56        2.05148   0.00001  -0.00000  -0.00001  -0.00001   2.05146
   R57        2.62927  -0.00001  -0.00004   0.00002  -0.00001   2.62925
   R58        2.05123   0.00000  -0.00000  -0.00000  -0.00000   2.05123
   R59        2.64685   0.00000   0.00000   0.00003   0.00003   2.64688
   R60        2.05001   0.00001   0.00001  -0.00001   0.00001   2.05002
   R61        2.64684   0.00001   0.00006  -0.00001   0.00005   2.64689
   R62        2.68056  -0.00005  -0.00005  -0.00005  -0.00011   2.68045
   R63        2.62924  -0.00001  -0.00003  -0.00001  -0.00004   2.62920
   R64        2.05003   0.00001   0.00003  -0.00002   0.00002   2.05005
   R65        2.05141   0.00001   0.00002   0.00002   0.00004   2.05145
   R66        2.62970  -0.00002  -0.00006  -0.00001  -0.00007   2.62963
   R67        2.05151   0.00000   0.00002   0.00001   0.00003   2.05154
   R68        2.64636   0.00001   0.00008   0.00003   0.00011   2.64647
   R69        2.05015   0.00001   0.00000  -0.00002  -0.00002   2.05013
   R70        2.64670  -0.00001   0.00008  -0.00000   0.00008   2.64678
   R71        2.68146  -0.00001  -0.00024  -0.00001  -0.00025   2.68121
   R72        2.62933  -0.00001  -0.00004  -0.00001  -0.00005   2.62927
   R73        2.05011   0.00001   0.00000  -0.00001  -0.00001   2.05010
   R74        2.05134   0.00000   0.00001   0.00001   0.00002   2.05136
   R75        2.64699   0.00006   0.00022  -0.00000   0.00022   2.64720
   R76        2.64700   0.00005   0.00019   0.00000   0.00019   2.64720
   R77        2.64757   0.00002   0.00020  -0.00004   0.00016   2.64773
   R78        2.64768   0.00001   0.00023  -0.00007   0.00015   2.64784
   R79        2.64660   0.00003   0.00032  -0.00001   0.00032   2.64692
   R80        2.64623   0.00004   0.00032  -0.00001   0.00031   2.64655
   R81        2.67974  -0.00002  -0.00009   0.00002  -0.00008   2.67966
   R82        2.64117  -0.00004  -0.00007  -0.00001  -0.00008   2.64109
   R83        2.73642   0.00001   0.00006  -0.00002   0.00004   2.73646
   R84        2.64482   0.00001  -0.00002   0.00002   0.00000   2.64482
   R85        2.67970  -0.00003  -0.00009  -0.00001  -0.00010   2.67960
   R86        2.64485   0.00001  -0.00003   0.00003   0.00000   2.64485
   R87        2.64115  -0.00003  -0.00007  -0.00002  -0.00009   2.64106
   R88        2.67987  -0.00003  -0.00009  -0.00001  -0.00010   2.67977
   R89        2.64116  -0.00003  -0.00007   0.00000  -0.00007   2.64110
   R90        2.73638   0.00003   0.00007  -0.00003   0.00004   2.73642
   R91        2.64489   0.00001  -0.00001   0.00002   0.00001   2.64490
   R92        2.67990  -0.00003  -0.00009   0.00000  -0.00009   2.67982
   R93        2.64487   0.00001  -0.00001   0.00002   0.00001   2.64488
   R94        2.64112  -0.00003  -0.00005   0.00001  -0.00005   2.64107
   R95        2.67998  -0.00002  -0.00012   0.00000  -0.00012   2.67986
   R96        2.64117  -0.00003  -0.00007   0.00001  -0.00006   2.64111
   R97        2.73634   0.00002   0.00008  -0.00003   0.00004   2.73639
   R98        2.64497   0.00001  -0.00002   0.00002  -0.00000   2.64497
   R99        2.68016  -0.00003  -0.00013  -0.00001  -0.00014   2.68002
   R100       2.64490   0.00001  -0.00002   0.00002   0.00001   2.64491
   R101       2.64117  -0.00003  -0.00006   0.00001  -0.00005   2.64113
   R102       2.62956   0.00003   0.00006   0.00002   0.00008   2.62964
   R103       2.05273  -0.00000  -0.00002   0.00001  -0.00001   2.05272
   R104       2.65534  -0.00002  -0.00007  -0.00001  -0.00008   2.65526
   R105       2.05142   0.00000   0.00000   0.00001   0.00001   2.05143
   R106       2.63261   0.00001   0.00005   0.00000   0.00006   2.63267
   R107       2.05228  -0.00000  -0.00001   0.00001   0.00000   2.05228
   R108       2.04885   0.00001   0.00002   0.00000   0.00002   2.04887
   R109       2.63263   0.00001   0.00005  -0.00000   0.00005   2.63269
   R110       2.04885   0.00001   0.00002  -0.00001   0.00002   2.04887
   R111       2.65533  -0.00002  -0.00007  -0.00001  -0.00008   2.65526
   R112       2.05231  -0.00000  -0.00001   0.00001   0.00000   2.05231
   R113       2.62960   0.00003   0.00006   0.00001   0.00007   2.62967
   R114       2.05146   0.00000  -0.00000   0.00001   0.00001   2.05147
   R115       2.05273  -0.00000  -0.00002   0.00001  -0.00001   2.05273
   R116       2.62962   0.00003   0.00006   0.00000   0.00006   2.62968
   R117       2.05276  -0.00000  -0.00001   0.00001  -0.00000   2.05276
   R118       2.65545  -0.00003  -0.00007  -0.00002  -0.00009   2.65537
   R119       2.05147   0.00000   0.00000   0.00002   0.00002   2.05149
   R120       2.63258   0.00002   0.00006   0.00000   0.00006   2.63264
   R121       2.05231  -0.00000  -0.00001   0.00001   0.00001   2.05231
   R122       2.04893   0.00000   0.00001  -0.00002  -0.00001   2.04892
   R123       2.63256   0.00002   0.00006   0.00000   0.00006   2.63262
   R124       2.04894   0.00000   0.00001  -0.00001  -0.00001   2.04893
   R125       2.65548  -0.00003  -0.00006  -0.00002  -0.00008   2.65540
   R126       2.05230  -0.00000  -0.00000   0.00001   0.00000   2.05230
   R127       2.62960   0.00003   0.00006   0.00001   0.00007   2.62967
   R128       2.05146   0.00000   0.00000   0.00001   0.00002   2.05147
   R129       2.05276  -0.00000  -0.00001   0.00001  -0.00000   2.05276
   R130       2.62967   0.00003   0.00006  -0.00001   0.00005   2.62973
   R131       2.05278  -0.00000  -0.00002   0.00001  -0.00001   2.05276
   R132       2.65553  -0.00002  -0.00008  -0.00002  -0.00011   2.65542
   R133       2.05149   0.00000  -0.00000   0.00001   0.00001   2.05150
   R134       2.63256   0.00001   0.00007  -0.00000   0.00007   2.63263
   R135       2.05237  -0.00000  -0.00001   0.00001  -0.00000   2.05237
   R136       2.04900   0.00001   0.00002  -0.00004  -0.00002   2.04898
   R137       2.63249   0.00001   0.00007  -0.00000   0.00007   2.63256
   R138       2.04896   0.00001   0.00001  -0.00002  -0.00001   2.04896
   R139       2.65562  -0.00002  -0.00009  -0.00002  -0.00011   2.65551
   R140       2.05231  -0.00000  -0.00001   0.00001  -0.00000   2.05230
   R141       2.62957   0.00003   0.00006  -0.00000   0.00006   2.62963
   R142       2.05147   0.00000  -0.00000   0.00001   0.00001   2.05148
   R143       2.05278  -0.00000  -0.00002   0.00001  -0.00001   2.05277
   R144       2.78522  -0.00002  -0.00044  -0.00000  -0.00044   2.78477
   R145       3.03024   0.00017  -0.00160  -0.00046  -0.00265   3.02759
   R146       3.04427   0.00001   0.00029  -0.00011   0.00017   3.04444
   R147       2.76342   0.00018   0.00235   0.00005   0.00215   2.76557
   R148       2.75569  -0.00002   0.00021  -0.00004   0.00017   2.75586
   R149       2.86322  -0.00002  -0.00038   0.00004  -0.00035   2.86288
   R150       2.06500  -0.00001  -0.00058   0.00018  -0.00043   2.06458
   R151       2.06405   0.00000  -0.00043   0.00002  -0.00028   2.06377
   R152       2.06847  -0.00001   0.00002  -0.00006  -0.00004   2.06843
   R153       2.06677   0.00001   0.00004   0.00009   0.00013   2.06690
   R154       2.06658   0.00000   0.00005   0.00002   0.00007   2.06664
   R155       2.86356  -0.00001  -0.00004  -0.00003  -0.00007   2.86349
   R156       2.06924   0.00000   0.00004  -0.00002   0.00002   2.06926
   R157       2.06732   0.00000  -0.00002  -0.00001  -0.00003   2.06729
   R158       2.06622   0.00001   0.00002   0.00001   0.00003   2.06625
   R159       2.06820  -0.00000  -0.00002   0.00002  -0.00000   2.06819
   R160       2.06605   0.00000  -0.00000   0.00001   0.00001   2.06607
   R161       5.82089  -0.00011  -0.04477  -0.00162  -0.04611   5.77478
   R162       6.27287  -0.00003  -0.05848   0.00067  -0.05770   6.21517
    A1        2.06412  -0.00000   0.00002  -0.00005  -0.00003   2.06410
    A2        2.10885   0.00001   0.00014  -0.00007   0.00007   2.10892
    A3        2.11022  -0.00001  -0.00016   0.00012  -0.00004   2.11017
    A4        2.12774  -0.00002   0.00004  -0.00006   0.00009   2.12783
    A5        2.07015   0.00002  -0.00031   0.00012  -0.00025   2.06990
    A6        2.08456   0.00000   0.00024  -0.00005   0.00014   2.08469
    A7        2.07107   0.00003  -0.00015   0.00015  -0.00015   2.07092
    A8        2.14607   0.00003  -0.00036  -0.00004  -0.00083   2.14524
    A9        2.06279  -0.00006   0.00069  -0.00009   0.00120   2.06398
   A10        2.09066   0.00002   0.00000  -0.00002  -0.00005   2.09061
   A11        2.09611  -0.00001   0.00057  -0.00012   0.00077   2.09688
   A12        2.09596  -0.00001  -0.00064   0.00014  -0.00077   2.09519
   A13        2.10535  -0.00003  -0.00005  -0.00005  -0.00004   2.10531
   A14        2.06646   0.00002  -0.00002   0.00007   0.00001   2.06647
   A15        2.11129   0.00001   0.00006  -0.00001   0.00002   2.11131
   A16        2.10592  -0.00000   0.00013   0.00003   0.00015   2.10607
   A17        2.08875   0.00001  -0.00005   0.00002  -0.00003   2.08872
   A18        2.08850  -0.00001  -0.00008  -0.00005  -0.00012   2.08838
   A19        2.09420  -0.00003   0.00033  -0.00002   0.00049   2.09469
   A20        2.10677   0.00004   0.00057  -0.00002   0.00052   2.10729
   A21        2.07486  -0.00001  -0.00057   0.00005  -0.00063   2.07423
   A22        2.07033   0.00005   0.00151  -0.00011   0.00116   2.07148
   A23        2.06874   0.00005  -0.00031   0.00022   0.00005   2.06879
   A24        2.13992  -0.00010  -0.00159  -0.00007  -0.00152   2.13839
   A25        1.93285   0.00009   0.01062  -0.00021   0.01249   1.94533
   A26        2.04979  -0.00014   0.00692  -0.00049   0.00849   2.05827
   A27        1.86883  -0.00004  -0.00566   0.00069  -0.00564   1.86319
   A28        2.01035  -0.00003   0.00575  -0.00058   0.00732   2.01766
   A29        1.69989  -0.00003  -0.02049   0.00061  -0.02083   1.67907
   A30        2.02242  -0.00005   0.00369  -0.00045   0.00357   2.02599
   A31        2.08547  -0.00005  -0.00104  -0.00005  -0.00061   2.08486
   A32        2.17300   0.00010  -0.00253   0.00048  -0.00282   2.17018
   A33        2.13646   0.00001   0.00047  -0.00006   0.00045   2.13691
   A34        2.07761  -0.00001   0.00012  -0.00016  -0.00006   2.07755
   A35        2.06627  -0.00000  -0.00056   0.00019  -0.00038   2.06590
   A36        2.05362  -0.00002   0.00032   0.00000   0.00034   2.05397
   A37        2.10921   0.00001  -0.00013   0.00007  -0.00008   2.10913
   A38        2.11966   0.00001  -0.00020  -0.00007  -0.00028   2.11938
   A39        2.10810  -0.00001  -0.00035   0.00008  -0.00029   2.10781
   A40        2.09457   0.00001  -0.00009   0.00007  -0.00001   2.09456
   A41        2.08032  -0.00000   0.00045  -0.00016   0.00030   2.08062
   A42        2.11892  -0.00003   0.00042  -0.00016   0.00022   2.11914
   A43        2.10054   0.00002  -0.00079   0.00014  -0.00063   2.09991
   A44        2.06343   0.00001   0.00033   0.00001   0.00036   2.06379
   A45        2.08275   0.00007  -0.00109   0.00028  -0.00212   2.08062
   A46        2.06048  -0.00003   0.00077  -0.00015   0.00076   2.06124
   A47        2.08582  -0.00005  -0.00315   0.00006  -0.00161   2.08422
   A48        2.08625   0.00004  -0.01760   0.00102  -0.01627   2.06999
   A49        1.56406   0.00002  -0.00755  -0.00015  -0.00751   1.55656
   A50        2.07882  -0.00001  -0.00139   0.00020  -0.00093   2.07789
   A51        2.15100   0.00003   0.00021  -0.00035  -0.00033   2.15067
   A52        2.05257  -0.00001   0.00108   0.00015   0.00118   2.05375
   A53        2.14030  -0.00005   0.00002  -0.00021   0.00028   2.14057
   A54        2.10320   0.00005  -0.00086   0.00003  -0.00098   2.10222
   A55        2.03956   0.00001   0.00086   0.00018   0.00071   2.04027
   A56        2.07965  -0.00007  -0.00091  -0.00017  -0.00119   2.07846
   A57        2.10979   0.00001  -0.00063  -0.00010  -0.00067   2.10913
   A58        2.10636  -0.00000  -0.00042  -0.00002  -0.00047   2.10589
   A59        2.06703  -0.00000   0.00105   0.00012   0.00114   2.06817
   A60        2.13233  -0.00002  -0.00007  -0.00003  -0.00008   2.13225
   A61        2.06356   0.00000   0.00044  -0.00007   0.00036   2.06392
   A62        2.08711   0.00002  -0.00036   0.00009  -0.00028   2.08683
   A63        2.03869  -0.00002   0.00078   0.00000   0.00082   2.03950
   A64        2.12203   0.00004  -0.00058   0.00006  -0.00054   2.12149
   A65        2.12246  -0.00002  -0.00020  -0.00006  -0.00027   2.12219
   A66        2.12963  -0.00000  -0.00031  -0.00006  -0.00029   2.12934
   A67        2.03231   0.00000   0.00022   0.00003   0.00021   2.03252
   A68        2.12091  -0.00000   0.00009   0.00003   0.00008   2.12099
   A69        2.11183  -0.00002  -0.00020   0.00011  -0.00010   2.11173
   A70        2.11636  -0.00001   0.00007  -0.00011  -0.00004   2.11632
   A71        2.05500   0.00004   0.00014   0.00000   0.00014   2.05514
   A72        2.11681  -0.00002  -0.00000  -0.00008  -0.00008   2.11673
   A73        2.11054   0.00000  -0.00016   0.00010  -0.00005   2.11049
   A74        2.05583   0.00002   0.00016  -0.00003   0.00013   2.05596
   A75        2.11522  -0.00001  -0.00012   0.00002  -0.00010   2.11512
   A76        2.11328  -0.00001  -0.00019  -0.00002  -0.00021   2.11307
   A77        2.05468   0.00003   0.00031   0.00000   0.00031   2.05500
   A78        2.11696  -0.00002  -0.00010   0.00000  -0.00010   2.11687
   A79        2.08699  -0.00002  -0.00010  -0.00000  -0.00010   2.08689
   A80        2.07836   0.00003   0.00021  -0.00002   0.00019   2.07854
   A81        2.09839  -0.00001  -0.00008   0.00001  -0.00007   2.09832
   A82        2.09952   0.00004   0.00025   0.00005   0.00030   2.09982
   A83        2.08503  -0.00003  -0.00017  -0.00005  -0.00022   2.08481
   A84        2.07974   0.00005   0.00019   0.00001   0.00020   2.07993
   A85        2.10149  -0.00003  -0.00012   0.00005  -0.00007   2.10142
   A86        2.10196  -0.00002  -0.00007  -0.00006  -0.00012   2.10183
   A87        2.09796  -0.00002  -0.00006  -0.00000  -0.00006   2.09791
   A88        2.08533  -0.00002  -0.00013  -0.00006  -0.00019   2.08514
   A89        2.09963   0.00004   0.00019   0.00006   0.00025   2.09988
   A90        2.11732  -0.00002  -0.00011   0.00000  -0.00011   2.11721
   A91        2.08484  -0.00001  -0.00014   0.00002  -0.00012   2.08472
   A92        2.08008   0.00003   0.00026  -0.00004   0.00022   2.08030
   A93        2.11741  -0.00002  -0.00008  -0.00003  -0.00010   2.11730
   A94        2.08550   0.00001  -0.00000   0.00000   0.00000   2.08550
   A95        2.07939   0.00001   0.00007   0.00002   0.00009   2.07947
   A96        2.09817  -0.00001  -0.00002   0.00004   0.00001   2.09818
   A97        2.09964   0.00002   0.00011   0.00001   0.00012   2.09977
   A98        2.08514  -0.00002  -0.00009  -0.00005  -0.00014   2.08500
   A99        2.07999   0.00001   0.00009  -0.00005   0.00004   2.08003
   A100       2.10195  -0.00002  -0.00012   0.00010  -0.00002   2.10193
   A101       2.10124   0.00000   0.00003  -0.00005  -0.00002   2.10122
   A102       2.09792  -0.00001  -0.00007   0.00002  -0.00004   2.09788
   A103       2.08490  -0.00001  -0.00008  -0.00003  -0.00011   2.08479
   A104       2.10012   0.00002   0.00014   0.00001   0.00015   2.10028
   A105       2.11772  -0.00001  -0.00006   0.00002  -0.00004   2.11768
   A106       2.08592  -0.00000  -0.00003  -0.00005  -0.00007   2.08584
   A107       2.07867   0.00001   0.00009   0.00002   0.00011   2.07878
   A108       2.11778  -0.00001  -0.00014  -0.00001  -0.00016   2.11762
   A109       2.08708  -0.00001  -0.00002  -0.00002  -0.00004   2.08704
   A110       2.07747   0.00002   0.00016   0.00003   0.00019   2.07767
   A111       2.09815  -0.00001  -0.00008   0.00003  -0.00005   2.09810
   A112       2.09983   0.00004   0.00019   0.00000   0.00020   2.10003
   A113       2.08497  -0.00002  -0.00012  -0.00003  -0.00015   2.08482
   A114       2.07965   0.00003   0.00014  -0.00005   0.00010   2.07975
   A115       2.10162  -0.00001  -0.00010   0.00005  -0.00005   2.10157
   A116       2.10191  -0.00002  -0.00004  -0.00001  -0.00005   2.10186
   A117       2.09832  -0.00001  -0.00005   0.00003  -0.00002   2.09830
   A118       2.08508  -0.00002  -0.00010  -0.00003  -0.00013   2.08495
   A119       2.09955   0.00003   0.00015   0.00000   0.00015   2.09970
   A120       2.11767  -0.00002  -0.00019   0.00000  -0.00019   2.11748
   A121       2.08568  -0.00001  -0.00010  -0.00004  -0.00014   2.08554
   A122       2.07911   0.00003   0.00030   0.00002   0.00032   2.07943
   A123       2.19588   0.00002   0.00007  -0.00000   0.00007   2.19596
   A124       2.19622  -0.00000  -0.00001   0.00005   0.00004   2.19626
   A125       1.89107  -0.00001  -0.00007  -0.00005  -0.00011   1.89096
   A126       2.19616   0.00001  -0.00003   0.00011   0.00008   2.19624
   A127       2.19618  -0.00001   0.00005  -0.00011  -0.00005   2.19613
   A128       1.89084   0.00000  -0.00002  -0.00000  -0.00003   1.89081
   A129       2.19603   0.00001   0.00004   0.00002   0.00006   2.19609
   A130       2.19605  -0.00000   0.00004   0.00000   0.00005   2.19610
   A131       1.89111  -0.00001  -0.00009  -0.00002  -0.00011   1.89100
   A132       1.90147  -0.00001  -0.00003  -0.00001  -0.00004   1.90143
   A133       2.26006  -0.00004  -0.00011  -0.00003  -0.00014   2.25992
   A134       2.12114   0.00005   0.00014   0.00003   0.00017   2.12132
   A135       1.86551   0.00001   0.00005   0.00000   0.00005   1.86556
   A136       2.08656  -0.00003  -0.00006  -0.00005  -0.00011   2.08645
   A137       2.33105   0.00002   0.00002   0.00005   0.00006   2.33111
   A138       1.86549   0.00000   0.00007  -0.00003   0.00004   1.86552
   A139       2.33104   0.00003  -0.00001   0.00009   0.00009   2.33112
   A140       2.08660  -0.00003  -0.00006  -0.00006  -0.00012   2.08647
   A141       1.90147  -0.00000  -0.00006   0.00004  -0.00002   1.90145
   A142       2.26016  -0.00004  -0.00008  -0.00010  -0.00017   2.25999
   A143       2.12105   0.00005   0.00013   0.00006   0.00019   2.12124
   A144       1.90152  -0.00001  -0.00002   0.00004   0.00002   1.90154
   A145       2.25984  -0.00004  -0.00012  -0.00005  -0.00017   2.25967
   A146       2.12136   0.00004   0.00013   0.00001   0.00013   2.12149
   A147       1.86533   0.00001   0.00005  -0.00001   0.00004   1.86536
   A148       2.08638  -0.00003  -0.00005  -0.00003  -0.00009   2.08629
   A149       2.33142   0.00002   0.00000   0.00005   0.00005   2.33147
   A150       1.86538   0.00001   0.00004  -0.00000   0.00003   1.86542
   A151       2.33139   0.00001   0.00001   0.00002   0.00003   2.33143
   A152       2.08635  -0.00003  -0.00005  -0.00002  -0.00007   2.08628
   A153       1.90147  -0.00000  -0.00000   0.00003   0.00002   1.90149
   A154       2.25987  -0.00004  -0.00013  -0.00001  -0.00013   2.25973
   A155       2.12139   0.00004   0.00011  -0.00002   0.00010   2.12149
   A156       1.90164  -0.00001  -0.00004   0.00001  -0.00003   1.90161
   A157       2.25952  -0.00004  -0.00008   0.00001  -0.00007   2.25945
   A158       2.12158   0.00004   0.00011  -0.00002   0.00008   2.12166
   A159       1.86519   0.00001   0.00008   0.00000   0.00008   1.86527
   A160       2.08628  -0.00003  -0.00004  -0.00002  -0.00006   2.08622
   A161       2.33166   0.00002  -0.00004   0.00002  -0.00003   2.33164
   A162       1.86515   0.00001   0.00007  -0.00001   0.00006   1.86522
   A163       2.33173   0.00003  -0.00004   0.00003  -0.00001   2.33172
   A164       2.08625  -0.00003  -0.00003  -0.00002  -0.00005   2.08619
   A165       1.90169   0.00000  -0.00003   0.00002  -0.00001   1.90168
   A166       2.25968  -0.00004  -0.00010   0.00000  -0.00009   2.25959
   A167       2.12138   0.00004   0.00011  -0.00002   0.00008   2.12147
   A168       2.07985  -0.00001  -0.00003   0.00001  -0.00002   2.07983
   A169       2.10003   0.00002   0.00007   0.00005   0.00012   2.10015
   A170       2.10329  -0.00001  -0.00004  -0.00006  -0.00010   2.10320
   A171       2.10394   0.00001   0.00005   0.00003   0.00009   2.10402
   A172       2.09213  -0.00002  -0.00008  -0.00003  -0.00012   2.09201
   A173       2.08711   0.00000   0.00003   0.00000   0.00003   2.08714
   A174       2.11981  -0.00002  -0.00004  -0.00004  -0.00008   2.11973
   A175       2.08505   0.00001   0.00005  -0.00002   0.00003   2.08508
   A176       2.07832   0.00001  -0.00001   0.00006   0.00005   2.07836
   A177       2.05497  -0.00001  -0.00006   0.00000  -0.00006   2.05491
   A178       2.11749  -0.00001   0.00000  -0.00007  -0.00006   2.11742
   A179       2.11071   0.00002   0.00006   0.00006   0.00012   2.11083
   A180       2.05484  -0.00001  -0.00006   0.00001  -0.00005   2.05479
   A181       2.11755  -0.00001  -0.00003  -0.00004  -0.00007   2.11749
   A182       2.11076   0.00003   0.00009   0.00003   0.00012   2.11088
   A183       2.11989  -0.00001  -0.00004  -0.00003  -0.00007   2.11982
   A184       2.07818   0.00001  -0.00001   0.00006   0.00005   2.07822
   A185       2.08512   0.00001   0.00005  -0.00002   0.00002   2.08514
   A186       2.10393   0.00002   0.00006   0.00003   0.00008   2.10401
   A187       2.08720   0.00000   0.00002   0.00001   0.00003   2.08724
   A188       2.09204  -0.00002  -0.00008  -0.00004  -0.00012   2.09192
   A189       2.07984  -0.00001  -0.00003   0.00001  -0.00002   2.07982
   A190       2.10003   0.00002   0.00006   0.00005   0.00011   2.10015
   A191       2.10331  -0.00001  -0.00003  -0.00006  -0.00010   2.10321
   A192       2.07986  -0.00000  -0.00003   0.00002  -0.00001   2.07984
   A193       2.10002   0.00002   0.00007   0.00005   0.00012   2.10014
   A194       2.10330  -0.00001  -0.00004  -0.00007  -0.00011   2.10319
   A195       2.10401   0.00002   0.00005   0.00001   0.00006   2.10407
   A196       2.09203  -0.00002  -0.00008  -0.00003  -0.00011   2.09192
   A197       2.08713   0.00000   0.00003   0.00002   0.00005   2.08718
   A198       2.11986  -0.00002  -0.00003  -0.00004  -0.00007   2.11979
   A199       2.08514   0.00000   0.00003  -0.00003   0.00000   2.08514
   A200       2.07818   0.00001   0.00000   0.00006   0.00007   2.07825
   A201       2.05475  -0.00001  -0.00005   0.00004  -0.00001   2.05474
   A202       2.11737  -0.00001  -0.00003  -0.00005  -0.00008   2.11728
   A203       2.11105   0.00002   0.00009   0.00001   0.00010   2.11115
   A204       2.05476  -0.00001  -0.00006   0.00004  -0.00003   2.05474
   A205       2.11737  -0.00002  -0.00006  -0.00006  -0.00012   2.11725
   A206       2.11103   0.00002   0.00012   0.00002   0.00014   2.11117
   A207       2.11986  -0.00002  -0.00004  -0.00005  -0.00008   2.11977
   A208       2.07823   0.00002   0.00000   0.00007   0.00008   2.07831
   A209       2.08509   0.00000   0.00003  -0.00003   0.00001   2.08510
   A210       2.10402   0.00002   0.00005   0.00002   0.00008   2.10410
   A211       2.08709   0.00000   0.00002   0.00001   0.00004   2.08712
   A212       2.09207  -0.00002  -0.00008  -0.00003  -0.00011   2.09195
   A213       2.07984  -0.00001  -0.00003   0.00001  -0.00002   2.07982
   A214       2.10003   0.00002   0.00007   0.00006   0.00013   2.10015
   A215       2.10331  -0.00001  -0.00003  -0.00007  -0.00011   2.10320
   A216       2.07994  -0.00000  -0.00003   0.00002  -0.00001   2.07993
   A217       2.10003   0.00002   0.00005   0.00006   0.00011   2.10014
   A218       2.10321  -0.00001  -0.00002  -0.00008  -0.00010   2.10311
   A219       2.10402   0.00001   0.00004   0.00001   0.00005   2.10407
   A220       2.09201  -0.00002  -0.00007  -0.00004  -0.00011   2.09191
   A221       2.08714   0.00000   0.00003   0.00002   0.00005   2.08720
   A222       2.11983  -0.00002  -0.00004  -0.00004  -0.00008   2.11976
   A223       2.08501   0.00000   0.00005  -0.00003   0.00001   2.08502
   A224       2.07834   0.00001  -0.00001   0.00007   0.00006   2.07840
   A225       2.05481  -0.00001  -0.00005   0.00005  -0.00000   2.05481
   A226       2.11688  -0.00002   0.00001  -0.00005  -0.00004   2.11684
   A227       2.11147   0.00003   0.00004   0.00000   0.00004   2.11151
   A228       2.05458  -0.00001  -0.00005   0.00005   0.00000   2.05458
   A229       2.11726  -0.00002   0.00003  -0.00004  -0.00002   2.11725
   A230       2.11133   0.00002   0.00002  -0.00000   0.00002   2.11134
   A231       2.11993  -0.00002  -0.00004  -0.00004  -0.00008   2.11985
   A232       2.07819   0.00001  -0.00001   0.00007   0.00005   2.07824
   A233       2.08507   0.00000   0.00005  -0.00003   0.00002   2.08509
   A234       2.10409   0.00002   0.00005   0.00002   0.00006   2.10415
   A235       2.08706   0.00000   0.00003   0.00002   0.00005   2.08711
   A236       2.09203  -0.00002  -0.00008  -0.00004  -0.00011   2.09191
   A237       2.07978  -0.00000  -0.00003   0.00002  -0.00001   2.07977
   A238       2.10008   0.00002   0.00007   0.00005   0.00012   2.10020
   A239       2.10331  -0.00002  -0.00004  -0.00007  -0.00011   2.10320
   A240       2.01656   0.00002   0.00109   0.00067   0.00184   2.01840
   A241       1.84598  -0.00003  -0.00212  -0.00071  -0.00283   1.84314
   A242       1.73015  -0.00000  -0.00279  -0.00087  -0.00374   1.72641
   A243       2.02830   0.00001   0.00202   0.00051   0.00248   2.03078
   A244       2.03194  -0.00006  -0.00110   0.00004  -0.00104   2.03090
   A245       1.77092   0.00006   0.00220   0.00005   0.00235   1.77327
   A246       2.11561  -0.00006   0.00246  -0.00067   0.00167   2.11728
   A247       2.06256   0.00001  -0.00024  -0.00020  -0.00044   2.06212
   A248       1.87873  -0.00005   0.00026  -0.00118  -0.00120   1.87753
   A249       1.87890   0.00001  -0.00158   0.00055  -0.00104   1.87786
   A250       1.89519   0.00003  -0.00059   0.00055   0.00026   1.89544
   A251       1.95413   0.00003   0.00151   0.00066   0.00227   1.95640
   A252       1.95962  -0.00000   0.00161  -0.00020   0.00133   1.96095
   A253       1.89476  -0.00002  -0.00141  -0.00035  -0.00175   1.89300
   A254       1.90998   0.00003  -0.00035  -0.00024  -0.00059   1.90939
   A255       1.93784  -0.00002   0.00024   0.00031   0.00055   1.93840
   A256       1.93746  -0.00000   0.00036  -0.00003   0.00033   1.93779
   A257       1.89084  -0.00000  -0.00017  -0.00000  -0.00017   1.89067
   A258       1.89050  -0.00001  -0.00020  -0.00001  -0.00021   1.89028
   A259       1.89600   0.00001   0.00010  -0.00004   0.00007   1.89607
   A260       1.88114  -0.00000   0.00002  -0.00003  -0.00001   1.88112
   A261       1.89120   0.00000  -0.00013  -0.00004  -0.00018   1.89102
   A262       1.89389  -0.00000   0.00005  -0.00014  -0.00009   1.89379
   A263       1.94728  -0.00000  -0.00001   0.00009   0.00008   1.94736
   A264       1.95140   0.00000   0.00005   0.00003   0.00008   1.95148
   A265       1.89730  -0.00000   0.00002   0.00009   0.00011   1.89741
   A266       1.93710   0.00001   0.00012   0.00001   0.00012   1.93722
   A267       1.91356  -0.00001  -0.00007  -0.00007  -0.00014   1.91342
   A268       1.93444   0.00001   0.00002   0.00008   0.00010   1.93454
   A269       1.89210  -0.00000  -0.00009  -0.00002  -0.00010   1.89199
   A270       1.89328  -0.00001   0.00003  -0.00000   0.00003   1.89331
   A271       1.89225  -0.00000  -0.00001  -0.00000  -0.00002   1.89224
   A272       1.89395   0.00002  -0.00203   0.00041  -0.00112   1.89283
   A273       1.65478  -0.00003   0.00493  -0.00074   0.00462   1.65940
   A274       1.72797  -0.00006   0.00237  -0.00047   0.00245   1.73041
   A275       1.80999  -0.00006  -0.00486  -0.00004  -0.00433   1.80566
   A276       1.23283   0.00005   0.00687  -0.00034   0.00698   1.23981
   A277       1.33764   0.00004   0.00270  -0.00018   0.00324   1.34087
   A278       0.55688  -0.00000   0.00503  -0.00005   0.00474   0.56162
    D1        0.01080   0.00001   0.00022  -0.00005   0.00013   0.01093
    D2        3.11102  -0.00000  -0.00067   0.00003  -0.00070   3.11032
    D3       -3.13065   0.00001   0.00056  -0.00018   0.00037  -3.13028
    D4       -0.03043  -0.00000  -0.00033  -0.00010  -0.00047  -0.03090
    D5       -0.03078  -0.00000  -0.00016  -0.00011  -0.00026  -0.03104
    D6        3.10428   0.00000   0.00042  -0.00024   0.00020   3.10448
    D7        3.11067  -0.00000  -0.00050   0.00003  -0.00049   3.11018
    D8       -0.03745  -0.00000   0.00007  -0.00011  -0.00004  -0.03749
    D9        2.49271   0.00001  -0.00050  -0.00004  -0.00056   2.49215
   D10       -0.64949   0.00001  -0.00040   0.00000  -0.00041  -0.64990
   D11       -0.64874   0.00001  -0.00015  -0.00018  -0.00031  -0.64905
   D12        2.49225   0.00001  -0.00004  -0.00014  -0.00017   2.49208
   D13        0.03367  -0.00000   0.00005   0.00018   0.00025   0.03393
   D14       -3.01957  -0.00004  -0.00254  -0.00006  -0.00278  -3.02235
   D15       -3.06622   0.00001   0.00096   0.00010   0.00111  -3.06511
   D16        0.16372  -0.00003  -0.00162  -0.00015  -0.00193   0.16179
   D17       -0.05875  -0.00000  -0.00038  -0.00016  -0.00052  -0.05927
   D18        3.05072  -0.00001  -0.00233  -0.00018  -0.00255   3.04817
   D19        2.99875   0.00004   0.00204   0.00007   0.00227   3.00102
   D20       -0.17496   0.00003   0.00010   0.00005   0.00024  -0.17472
   D21       -2.92147   0.00009  -0.00378   0.00159  -0.00221  -2.92368
   D22        0.35163   0.00006  -0.00695   0.00148  -0.00559   0.34605
   D23        0.30807   0.00005  -0.00633   0.00134  -0.00517   0.30290
   D24       -2.70201   0.00002  -0.00949   0.00123  -0.00855  -2.71055
   D25        0.03998   0.00000   0.00046   0.00001   0.00041   0.04039
   D26       -3.11579   0.00001  -0.00046   0.00025  -0.00023  -3.11602
   D27       -3.06950   0.00002   0.00237   0.00003   0.00242  -3.06708
   D28        0.05792   0.00002   0.00146   0.00027   0.00177   0.05969
   D29       -0.38358  -0.00002   0.01872  -0.00138   0.01763  -0.36595
   D30        2.82744   0.00000   0.01635  -0.00102   0.01561   2.84305
   D31        2.72579  -0.00003   0.01678  -0.00140   0.01561   2.74140
   D32       -0.34637  -0.00001   0.01442  -0.00104   0.01359  -0.33278
   D33        0.00559  -0.00000  -0.00018   0.00013  -0.00001   0.00558
   D34       -3.12947  -0.00001  -0.00075   0.00026  -0.00047  -3.12994
   D35       -3.12146  -0.00001   0.00076  -0.00012   0.00065  -3.12081
   D36        0.02666  -0.00001   0.00018   0.00001   0.00019   0.02686
   D37        0.13572  -0.00009  -0.00713  -0.00118  -0.00859   0.12713
   D38       -2.91013  -0.00009  -0.00313  -0.00159  -0.00491  -2.91505
   D39       -3.13499  -0.00005  -0.00396  -0.00108  -0.00520  -3.14018
   D40        0.10235  -0.00005   0.00004  -0.00149  -0.00152   0.10082
   D41        2.98109   0.00007   0.00331   0.00089   0.00439   2.98548
   D42       -0.07827   0.00007   0.00290   0.00129   0.00431  -0.07396
   D43       -0.03042   0.00003   0.00013   0.00079   0.00097  -0.02945
   D44       -3.08979   0.00004  -0.00028   0.00119   0.00090  -3.08889
   D45       -0.66054   0.00001   0.02275  -0.00021   0.02198  -0.63856
   D46       -3.02002   0.00011  -0.01585   0.00144  -0.01345  -3.03348
   D47        1.17365  -0.00000   0.00024   0.00073   0.00052   1.17417
   D48        2.38119   0.00002   0.01869   0.00023   0.01825   2.39944
   D49        0.02170   0.00011  -0.01991   0.00189  -0.01718   0.00452
   D50       -2.06781   0.00001  -0.00382   0.00117  -0.00321  -2.07102
   D51       -0.09678   0.00003  -0.00042   0.00128   0.00090  -0.09588
   D52        3.01814   0.00002  -0.00214   0.00099  -0.00118   3.01695
   D53       -3.13859   0.00002   0.00352   0.00085   0.00457  -3.13403
   D54       -0.02368   0.00001   0.00179   0.00056   0.00248  -0.02120
   D55        0.77769   0.00004  -0.02800   0.00147  -0.02588   0.75181
   D56       -2.43724   0.00001  -0.02545   0.00106  -0.02364  -2.46088
   D57       -3.12699  -0.00011   0.00980  -0.00011   0.00914  -3.11785
   D58       -0.05874  -0.00014   0.01235  -0.00051   0.01139  -0.04736
   D59       -1.16760   0.00006  -0.01402   0.00048  -0.01352  -1.18111
   D60        1.90065   0.00004  -0.01147   0.00008  -0.01127   1.88938
   D61        2.38111   0.00002   0.02925  -0.00200   0.02679   2.40790
   D62       -1.10943  -0.00000   0.01857  -0.00139   0.01738  -1.09205
   D63        0.05538   0.00007  -0.01225  -0.00044  -0.01234   0.04304
   D64        2.84803   0.00005  -0.02292   0.00018  -0.02176   2.82627
   D65        2.40215  -0.00007  -0.00971   0.00096  -0.00816   2.39399
   D66        1.83988  -0.00007  -0.01530   0.00110  -0.01390   1.82598
   D67       -1.88393   0.00000  -0.00608   0.00117  -0.00430  -1.88823
   D68       -2.44620   0.00001  -0.01167   0.00131  -0.01004  -2.45624
   D69        3.10051   0.00008  -0.00143   0.00037  -0.00088   3.09963
   D70        0.03473   0.00010  -0.00419   0.00080  -0.00336   0.03138
   D71       -0.04938   0.00001  -0.00002   0.00020   0.00018  -0.04921
   D72        3.13172   0.00001   0.00033   0.00024   0.00055   3.13227
   D73        3.01049   0.00000   0.00041  -0.00021   0.00027   3.01076
   D74       -0.09159   0.00000   0.00076  -0.00017   0.00064  -0.09096
   D75        0.05682  -0.00003  -0.00031  -0.00045  -0.00081   0.05601
   D76       -3.10635  -0.00004   0.00007  -0.00076  -0.00070  -3.10705
   D77       -3.12454  -0.00003  -0.00067  -0.00049  -0.00117  -3.12571
   D78       -0.00452  -0.00004  -0.00028  -0.00080  -0.00107  -0.00559
   D79        2.47811   0.00001   0.00116  -0.00027   0.00090   2.47901
   D80       -0.66504   0.00001   0.00119  -0.00024   0.00096  -0.66408
   D81       -0.62246   0.00000   0.00151  -0.00022   0.00127  -0.62119
   D82        2.51757   0.00001   0.00154  -0.00020   0.00134   2.51891
   D83        0.01624   0.00001   0.00055  -0.00030   0.00026   0.01650
   D84       -3.09922   0.00002   0.00227  -0.00002   0.00232  -3.09690
   D85       -3.10395   0.00001   0.00018   0.00001   0.00016  -3.10379
   D86        0.06377   0.00002   0.00190   0.00029   0.00222   0.06599
   D87       -0.03434   0.00000   0.00529   0.00102   0.00658  -0.02776
   D88       -3.13196   0.00001   0.00770   0.00094   0.00893  -3.12303
   D89       -2.82189   0.00003   0.01522   0.00043   0.01565  -2.80623
   D90        0.36368   0.00003   0.01762   0.00036   0.01799   0.38167
   D91       -0.93405   0.00005  -0.00873   0.00107  -0.00839  -0.94244
   D92        2.25152   0.00006  -0.00632   0.00099  -0.00605   2.24547
   D93        0.13630   0.00004   0.00364  -0.00006   0.00355   0.13985
   D94       -2.13368   0.00004   0.00191  -0.00067   0.00123  -2.13245
   D95        2.32128  -0.00001   0.00093  -0.00026   0.00064   2.32193
   D96        2.92832   0.00004  -0.00662   0.00060  -0.00599   2.92233
   D97        0.65834   0.00004  -0.00835  -0.00000  -0.00831   0.65003
   D98       -1.16988  -0.00002  -0.00933   0.00040  -0.00890  -1.17878
   D99        0.75999  -0.00001   0.01963  -0.00055   0.01921   0.77920
   D100      -1.50999  -0.00001   0.01791  -0.00116   0.01689  -1.49310
   D101       2.94497  -0.00007   0.01693  -0.00075   0.01630   2.96127
   D102      -1.13796   0.00005   0.00717   0.00035   0.00799  -1.12997
   D103      -1.70894   0.00006   0.00207   0.00039   0.00312  -1.70582
   D104       1.03002   0.00002  -0.00521   0.00071  -0.00476   1.02525
   D105       0.45904   0.00003  -0.01031   0.00074  -0.00964   0.44940
   D106       0.00815  -0.00004   0.00326  -0.00079   0.00230   0.01045
   D107      -3.11513  -0.00001   0.00185  -0.00049   0.00131  -3.11381
   D108       3.10824  -0.00005   0.00097  -0.00073   0.00006   3.10830
   D109      -0.01504  -0.00002  -0.00045  -0.00043  -0.00093  -0.01597
   D110       3.11713   0.00002  -0.00219   0.00060  -0.00153   3.11560
   D111      -0.02210   0.00002  -0.00080   0.00024  -0.00052  -0.02262
   D112       0.01890   0.00002   0.00026   0.00052   0.00083   0.01972
   D113      -3.12034   0.00003   0.00165   0.00017   0.00184  -3.11850
   D114      -0.00824  -0.00001  -0.00377  -0.00013  -0.00395  -0.01219
   D115       3.11566  -0.00004  -0.00241  -0.00042  -0.00300   3.11265
   D116       0.00040   0.00000   0.00032   0.00006   0.00041   0.00081
   D117       3.11439  -0.00001   0.00036   0.00003   0.00038   3.11477
   D118      -3.12391   0.00003  -0.00101   0.00035  -0.00052  -3.12443
   D119      -0.00991   0.00002  -0.00097   0.00032  -0.00055  -0.01046
   D120      -0.00834  -0.00001   0.00007  -0.00025  -0.00020  -0.00854
   D121       3.11197  -0.00001   0.00080  -0.00058   0.00019   3.11216
   D122       3.13094  -0.00002  -0.00131   0.00010  -0.00118   3.12976
   D123      -0.03193  -0.00001  -0.00057  -0.00024  -0.00079  -0.03272
   D124      -0.00652  -0.00000  -0.00019  -0.00013  -0.00033  -0.00685
   D125       3.14005   0.00000  -0.00019  -0.00018  -0.00037   3.13968
   D126      -3.12654  -0.00001  -0.00094   0.00021  -0.00074  -3.12728
   D127       0.02002   0.00000  -0.00094   0.00016  -0.00078   0.01925
   D128       0.01039   0.00001  -0.00001   0.00022   0.00022   0.01061
   D129      -3.10221   0.00002  -0.00005   0.00025   0.00025  -3.10196
   D130      -3.13618   0.00000  -0.00001   0.00027   0.00026  -3.13592
   D131       0.03440   0.00001  -0.00005   0.00031   0.00029   0.03469
   D132       0.61362   0.00002   0.00288   0.00062   0.00349   0.61712
   D133      -2.52825   0.00001   0.00261   0.00069   0.00329  -2.52495
   D134      -2.52275   0.00002   0.00287   0.00056   0.00345  -2.51930
   D135       0.61856   0.00002   0.00260   0.00064   0.00325   0.62181
   D136      -3.13236  -0.00000   0.00014  -0.00007   0.00007  -3.13229
   D137      -0.03654  -0.00001  -0.00009  -0.00020  -0.00029  -0.03683
   D138       0.00982  -0.00000   0.00003  -0.00010  -0.00007   0.00975
   D139       3.10564  -0.00001  -0.00019  -0.00024  -0.00043   3.10521
   D140      -3.13505   0.00000   0.00003   0.00004   0.00007  -3.13498
   D141      -0.03904   0.00000   0.00012  -0.00008   0.00004  -0.03900
   D142       0.00596   0.00000   0.00013   0.00008   0.00021   0.00617
   D143       3.10196   0.00000   0.00022  -0.00004   0.00018   3.10214
   D144      -3.13432   0.00001   0.00019   0.00020   0.00039  -3.13393
   D145      -0.03810   0.00001   0.00033  -0.00023   0.00010  -0.03800
   D146       0.00879   0.00000   0.00016   0.00017   0.00033   0.00911
   D147       3.10501   0.00000   0.00030  -0.00025   0.00004   3.10505
   D148      -3.13284  -0.00000  -0.00007  -0.00001  -0.00009  -3.13293
   D149      -0.03820  -0.00000   0.00009  -0.00046  -0.00037  -0.03856
   D150       0.00724  -0.00000  -0.00004   0.00001  -0.00003   0.00722
   D151       3.10189  -0.00000   0.00012  -0.00043  -0.00031   3.10158
   D152       3.13418  -0.00001  -0.00056   0.00013  -0.00044   3.13374
   D153       0.03725  -0.00001  -0.00052   0.00017  -0.00035   0.03690
   D154      -0.00714  -0.00000  -0.00030   0.00006  -0.00025  -0.00739
   D155      -3.10407   0.00000  -0.00026   0.00010  -0.00016  -3.10423
   D156       3.13552   0.00001   0.00026  -0.00015   0.00011   3.13563
   D157       0.03538   0.00000   0.00004   0.00016   0.00020   0.03558
   D158      -0.00634  -0.00000  -0.00000  -0.00008  -0.00009  -0.00643
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   D379      -0.00588  -0.00001  -0.00029  -0.00003  -0.00032  -0.00620
   D380       0.00715  -0.00000   0.00004  -0.00003   0.00001   0.00715
   D381      -3.13130  -0.00000   0.00002   0.00004   0.00006  -3.13124
   D382      -3.13969   0.00000   0.00014  -0.00004   0.00011  -3.13958
   D383       0.00505   0.00000   0.00013   0.00003   0.00016   0.00522
   D384       0.00436   0.00000   0.00013  -0.00003   0.00010   0.00446
   D385      -3.13041  -0.00001   0.00011  -0.00008   0.00002  -3.13038
   D386      -3.14037   0.00000   0.00015  -0.00010   0.00005  -3.14033
   D387       0.00805  -0.00001   0.00012  -0.00016  -0.00003   0.00801
   D388       0.00438  -0.00000   0.00010   0.00001   0.00011   0.00449
   D389      -3.14026  -0.00000   0.00018  -0.00009   0.00010  -3.14016
   D390      -3.13056  -0.00000   0.00012  -0.00005   0.00007  -3.13049
   D391       0.00798  -0.00000   0.00020  -0.00015   0.00005   0.00804
   D392       0.00708  -0.00000   0.00008  -0.00005   0.00003   0.00711
   D393      -3.13966   0.00000   0.00020  -0.00004   0.00016  -3.13950
   D394      -3.13146  -0.00000  -0.00000   0.00005   0.00005  -3.13141
   D395       0.00499   0.00000   0.00012   0.00006   0.00018   0.00516
   D396      -0.00641   0.00000  -0.00006   0.00002  -0.00004  -0.00646
   D397       3.13065  -0.00000  -0.00026  -0.00003  -0.00029   3.13036
   D398       3.14034  -0.00000  -0.00019   0.00001  -0.00017   3.14017
   D399      -0.00578  -0.00001  -0.00038  -0.00004  -0.00042  -0.00620
   D400       1.62538  -0.00001   0.01176   0.00018   0.01213   1.63751
   D401      -0.63779  -0.00002   0.01059  -0.00052   0.01019  -0.62760
   D402      -2.85954   0.00000   0.00892  -0.00093   0.00812  -2.85142
   D403      -3.09063  -0.00002   0.00266  -0.00126   0.00141  -3.08922
   D404      -0.91640  -0.00002   0.00148  -0.00102   0.00047  -0.91593
   D405       1.30298  -0.00000   0.00513  -0.00030   0.00482   1.30780
   D406       2.71789  -0.00000  -0.01876   0.00034  -0.01823   2.69966
   D407      -1.45573   0.00001  -0.01770   0.00077  -0.01678  -1.47251
   D408       0.59244   0.00001  -0.02051   0.00096  -0.01928   0.57316
   D409       3.01296  -0.00002  -0.00432  -0.00084  -0.00515   3.00780
   D410      -1.16050  -0.00002  -0.00439  -0.00078  -0.00517  -1.16567
   D411       0.89673  -0.00002  -0.00441  -0.00077  -0.00519   0.89155
   D412       3.11319  -0.00000  -0.00132   0.00024  -0.00117   3.11201
   D413      -1.08358   0.00000  -0.00161   0.00028  -0.00142  -1.08500
   D414       1.02744  -0.00000  -0.00107   0.00042  -0.00073   1.02670
   D415       1.05153   0.00000  -0.00041  -0.00008  -0.00046   1.05107
   D416       3.13795   0.00000  -0.00070  -0.00004  -0.00071   3.13724
   D417      -1.03422  -0.00000  -0.00016   0.00010  -0.00002  -1.03424
   D418      -1.08511   0.00000  -0.00092   0.00003  -0.00084  -1.08595
   D419       1.00130   0.00000  -0.00121   0.00006  -0.00109   1.00022
   D420       3.11232  -0.00000  -0.00067   0.00021  -0.00040   3.11192
   D421       1.30054  -0.00002   0.00913  -0.00038   0.00934   1.30988
   D422      -2.92110  -0.00005   0.00931  -0.00110   0.00854  -2.91256
   D423      -0.74791  -0.00004   0.01140  -0.00115   0.01053  -0.73738
   D424      -1.39382   0.00000  -0.00456  -0.00028  -0.00497  -1.39879
   D425       2.81412   0.00004  -0.00547   0.00095  -0.00447   2.80965
   D426       0.64420   0.00002  -0.00750   0.00049  -0.00702   0.63718
   D427       1.04880   0.00000  -0.00042   0.00002  -0.00041   1.04839
   D428       3.13862  -0.00000  -0.00050  -0.00004  -0.00055   3.13807
   D429      -1.05624  -0.00000  -0.00055  -0.00004  -0.00059  -1.05683
   D430      -1.02544   0.00000  -0.00027   0.00004  -0.00023  -1.02567
   D431       1.06437  -0.00000  -0.00035  -0.00002  -0.00037   1.06401
   D432      -3.13048  -0.00000  -0.00040  -0.00002  -0.00041  -3.13089
   D433       3.12876  -0.00000  -0.00032  -0.00016  -0.00048   3.12828
   D434      -1.06461  -0.00000  -0.00040  -0.00022  -0.00062  -1.06524
   D435       1.02372  -0.00000  -0.00045  -0.00022  -0.00067   1.02305
   D436      -1.35843   0.00004   0.00824  -0.00010   0.00873  -1.34969
   D437      -1.25906   0.00003   0.00321   0.00036   0.00345  -1.25562
   D438       0.41302   0.00003  -0.00481   0.00058  -0.00407   0.40895
   D439       1.09174  -0.00003   0.01755  -0.00136   0.01704   1.10877
   D440       0.91220   0.00001   0.01341  -0.00086   0.01250   0.92470
   D441      -0.39210  -0.00002   0.00410  -0.00050   0.00356  -0.38854
         Item               Value     Threshold  Converged?
 Maximum Force            0.000521     0.000450     NO 
 RMS     Force            0.000038     0.000300     YES
 Maximum Displacement     0.169030     0.001800     NO 
 RMS     Displacement     0.033414     0.001200     NO 
 Predicted change in Energy=-6.415758D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.815070    2.890571    0.527833
      2          6           0       -2.053669    1.516122    0.652677
      3          6           0       -1.009615    0.583289    0.684117
      4          6           0        0.319183    1.053191    0.628493
      5          6           0        0.566803    2.422875    0.471986
      6          6           0       -0.481487    3.328523    0.418867
      7          6           0       -1.236390   -0.875270    0.667365
      8          6           0       -0.170946   -1.762296    0.965456
      9          6           0        1.126628   -1.190477    1.453931
     10          6           0        1.441876    0.113898    0.777544
     11          6           0       -2.449193   -1.405410    0.212964
     12          6           0       -2.639475   -2.778015    0.008419
     13          6           0       -1.542385   -3.626184    0.217633
     14          6           0       -0.332867   -3.122715    0.677240
     15          7           0        2.227891   -2.080182    1.620064
     16          6           0        3.526614   -1.667247    1.197319
     17          6           0        3.680872   -0.398126    0.593053
     18          7           0        2.621599    0.472117    0.403274
     19          6           0        4.664680   -2.482635    1.300949
     20          6           0        5.900465   -2.041723    0.845401
     21          6           0        6.073289   -0.776197    0.254784
     22          6           0        4.938204    0.023592    0.136435
     23          6           0       -2.938353    3.858557    0.511436
     24          6           0       -3.943178   -3.302565   -0.462801
     25          6           0        7.399283   -0.318439   -0.224617
     26          6           0       -4.013807   -4.367984   -1.376331
     27          6           0       -5.237258   -4.854547   -1.825657
     28          6           0       -6.433500   -4.297722   -1.354943
     29          6           0       -6.380022   -3.241818   -0.436018
     30          6           0       -5.151689   -2.749023   -0.006847
     31          6           0       -2.822204    5.112596    1.135241
     32          6           0       -3.875646    6.021488    1.133351
     33          6           0       -5.076963    5.706875    0.485487
     34          6           0       -5.205153    4.465359   -0.150195
     35          6           0       -4.152972    3.555338   -0.127121
     36          6           0        8.315720   -1.216512   -0.797457
     37          6           0        9.557521   -0.788430   -1.256868
     38          6           0        9.926641    0.557402   -1.139616
     39          6           0        9.027728    1.463921   -0.563509
     40          6           0        7.781843    1.029826   -0.121705
     41          7           0       -6.150348    6.634037    0.472300
     42          7           0       -7.682672   -4.796943   -1.803269
     43          7           0       11.195220    0.996827   -1.598647
     44          6           0       -8.094779   -6.135358   -1.759111
     45          6           0       -9.402345   -6.232484   -2.299110
     46          6           0       -9.796996   -4.894830   -2.688778
     47          6           0       -8.715163   -4.036221   -2.367679
     48          6           0       -7.462146    6.375497    0.890262
     49          6           0       -8.239194    7.549613    0.721199
     50          6           0       -7.358906    8.561299    0.174905
     51          6           0       -6.080534    7.963389    0.036076
     52          6           0       11.422595    2.037215   -2.508492
     53          6           0       12.819207    2.172239   -2.714204
     54          6           0       13.464067    1.170906   -1.890622
     55          6           0       12.433797    0.464759   -1.218900
     56          6           0      -10.947247   -4.363129   -3.282987
     57          6           0      -11.002281   -2.999203   -3.553300
     58          6           0       -9.915144   -2.165036   -3.242468
     59          6           0       -8.758823   -2.668212   -2.650349
     60          6           0       -7.428492   -7.254078   -1.251342
     61          6           0       -8.084096   -8.481848   -1.311791
     62          6           0       -9.373526   -8.598465   -1.857758
     63          6           0      -10.037971   -7.478438   -2.348160
     64          6           0       -7.543379    9.893355   -0.213048
     65          6           0       -6.466194   10.603094   -0.734964
     66          6           0       -5.209813    9.990619   -0.879385
     67          6           0       -4.998619    8.666690   -0.500673
     68          6           0       -8.007455    5.209783    1.435295
     69          6           0       -9.354206    5.229069    1.791217
     70          6           0      -10.142402    6.379169    1.616483
     71          6           0       -9.590221    7.541444    1.086718
     72          6           0       14.800730    0.826377   -1.659141
     73          6           0       15.091616   -0.200911   -0.766622
     74          6           0       14.058976   -0.880571   -0.098582
     75          6           0       12.720357   -0.558378   -0.310922
     76          6           0       10.502134    2.840580   -3.187234
     77          6           0       11.002600    3.800142   -4.064433
     78          6           0       12.383933    3.957185   -4.269216
     79          6           0       13.295066    3.144959   -3.601006
     80          8           0        0.735766   -3.547872    3.393015
     81         15           0        2.074367   -3.379561    2.800201
     82          8           0        3.286483   -3.174125    3.827529
     83          8           0        2.616490   -4.600305    1.899442
     84          6           0        3.112989   -2.414685    5.066447
     85          6           0        4.146872   -2.911467    6.056105
     86          6           0        2.604305   -5.939552    2.476524
     87          6           0        2.975061   -6.918783    1.381185
     88          1           0       -3.076490    1.175257    0.766563
     89          1           0        1.596050    2.756664    0.407804
     90          1           0       -0.272072    4.385169    0.286301
     91          1           0       -3.248826   -0.728062   -0.062770
     92          1           0       -1.638707   -4.692071    0.039155
     93          1           0        0.497598   -3.805382    0.784071
     94          1           0        4.597590   -3.468073    1.734040
     95          1           0        6.757723   -2.695457    0.971598
     96          1           0        4.977721    0.997272   -0.339530
     97          1           0       -3.098092   -4.794698   -1.773473
     98          1           0       -5.272899   -5.652833   -2.559306
     99          1           0       -7.303114   -2.827328   -0.045051
    100          1           0       -5.129140   -1.949950    0.727643
    101          1           0       -1.909007    5.362875    1.665957
    102          1           0       -3.781401    6.969839    1.651606
    103          1           0       -6.122574    4.228952   -0.678708
    104          1           0       -4.260972    2.609900   -0.649588
    105          1           0        8.037648   -2.258321   -0.923560
    106          1           0       10.238486   -1.489203   -1.728217
    107          1           0        9.319274    2.502156   -0.445176
    108          1           0        7.109192    1.742000    0.345982
    109          1           0      -11.783821   -5.009102   -3.533601
    110          1           0      -11.889502   -2.574546   -4.012619
    111          1           0       -9.973149   -1.104732   -3.470129
    112          1           0       -7.920567   -2.018909   -2.423955
    113          1           0       -6.438218   -7.171604   -0.817661
    114          1           0       -7.585958   -9.365744   -0.924414
    115          1           0       -9.855539   -9.570599   -1.891312
    116          1           0      -11.039288   -7.567577   -2.759705
    117          1           0       -8.516938   10.364412   -0.111661
    118          1           0       -6.596335   11.637334   -1.038175
    119          1           0       -4.383693   10.558097   -1.297681
    120          1           0       -4.028464    8.198879   -0.625282
    121          1           0       -7.403853    4.321456    1.584068
    122          1           0       -9.800768    4.334805    2.215882
    123          1           0      -11.189396    6.359936    1.902748
    124          1           0      -10.197576    8.433407    0.962193
    125          1           0       15.600156    1.358223   -2.167131
    126          1           0       16.124441   -0.478151   -0.579666
    127          1           0       14.306590   -1.673051    0.601567
    128          1           0       11.930089   -1.080878    0.216445
    129          1           0        9.434381    2.719357   -3.042908
    130          1           0       10.306911    4.437367   -4.602420
    131          1           0       12.740660    4.716171   -4.958571
    132          1           0       14.362255    3.260161   -3.767842
    133          1           0        3.247948   -1.357245    4.827233
    134          1           0        2.091588   -2.560653    5.424382
    135          1           0        4.063346   -2.340786    6.986384
    136          1           0        3.993617   -3.969582    6.286778
    137          1           0        5.159483   -2.782418    5.663714
    138          1           0        3.324345   -5.966146    3.301065
    139          1           0        1.605257   -6.136227    2.876498
    140          1           0        3.969651   -6.701941    0.982032
    141          1           0        2.978606   -7.936549    1.783603
    142          1           0        2.254832   -6.874619    0.559809
    143         17           0        0.748493   -0.367726    3.373966
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0178824           0.0073909           0.0058012
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13521.8032261567 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.73D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    0.999998   -0.001032   -0.000071    0.001596 Ang=  -0.22 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.68061384     A.U. after   12 cycles
            NFock= 12  Conv=0.24D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016437   -0.000022376   -0.000000348
      2        6           0.000014212   -0.000015974    0.000014837
      3        6           0.000099471    0.000059342    0.000027433
      4        6          -0.000107353   -0.000137328   -0.000056508
      5        6           0.000022160   -0.000010085    0.000017962
      6        6          -0.000011160    0.000021485    0.000001099
      7        6           0.000075909   -0.000010230   -0.000020500
      8        6           0.000357345    0.000442703    0.000359507
      9        6           0.000209224   -0.000032105    0.001248601
     10        6           0.000243198   -0.000508760   -0.000271102
     11        6           0.000037597    0.000035366   -0.000010584
     12        6          -0.000018633   -0.000034043   -0.000001222
     13        6          -0.000025370    0.000014425   -0.000054991
     14        6           0.000056257    0.000018672    0.000115769
     15        7          -0.001180354    0.000592373   -0.000473206
     16        6           0.000070962    0.000183331    0.000012851
     17        6          -0.000022866   -0.000161692    0.000096072
     18        7          -0.000009203   -0.000018388    0.000128618
     19        6          -0.000052101   -0.000001214    0.000000418
     20        6           0.000031271    0.000046601   -0.000014612
     21        6           0.000022306   -0.000046744    0.000006852
     22        6          -0.000031849   -0.000052354    0.000001819
     23        6          -0.000046275    0.000017817   -0.000001444
     24        6           0.000018859    0.000021230    0.000015287
     25        6           0.000005920    0.000016047    0.000002118
     26        6          -0.000002640   -0.000015347   -0.000012726
     27        6           0.000009438    0.000012524   -0.000004374
     28        6           0.000012728    0.000013401    0.000009515
     29        6           0.000007644   -0.000005389    0.000009505
     30        6          -0.000012803    0.000001543   -0.000005343
     31        6           0.000013123   -0.000000834   -0.000009830
     32        6           0.000017292    0.000013539   -0.000014083
     33        6          -0.000038475    0.000016620    0.000001792
     34        6          -0.000000148   -0.000020371    0.000011742
     35        6           0.000008930   -0.000003389    0.000009059
     36        6           0.000003878    0.000000545   -0.000007364
     37        6          -0.000001571   -0.000016909    0.000016882
     38        6           0.000009255    0.000013171   -0.000002405
     39        6          -0.000012819    0.000000246   -0.000015315
     40        6           0.000006291   -0.000001599    0.000006110
     41        7           0.000050152   -0.000024924   -0.000006773
     42        7          -0.000011937   -0.000009081   -0.000002984
     43        7          -0.000022924   -0.000013432    0.000004923
     44        6           0.000000552   -0.000024515    0.000008247
     45        6          -0.000015670    0.000014146    0.000021031
     46        6           0.000021390   -0.000009571   -0.000018413
     47        6          -0.000006731    0.000009893   -0.000016792
     48        6          -0.000034876   -0.000021093   -0.000017063
     49        6           0.000010207    0.000004519    0.000004019
     50        6           0.000004238   -0.000009818   -0.000002683
     51        6          -0.000001647    0.000039595    0.000023498
     52        6          -0.000005933    0.000030974    0.000003332
     53        6           0.000004448   -0.000013337   -0.000000097
     54        6          -0.000012924    0.000009981    0.000006581
     55        6           0.000028053   -0.000008231   -0.000011402
     56        6          -0.000009733   -0.000008995    0.000014310
     57        6           0.000006531    0.000010921   -0.000005071
     58        6          -0.000003832    0.000003229    0.000003815
     59        6           0.000005001   -0.000001194   -0.000000874
     60        6          -0.000004167    0.000006656    0.000003120
     61        6           0.000006179   -0.000002102   -0.000004318
     62        6           0.000005505    0.000000018    0.000010604
     63        6          -0.000001619    0.000001755   -0.000017162
     64        6          -0.000008404   -0.000002641    0.000007251
     65        6           0.000011108   -0.000000304   -0.000007572
     66        6           0.000002891    0.000004977    0.000003549
     67        6          -0.000004521   -0.000004120   -0.000009152
     68        6           0.000000251    0.000002183    0.000005359
     69        6          -0.000002768   -0.000005231   -0.000002205
     70        6           0.000008655   -0.000008945    0.000008659
     71        6          -0.000003332    0.000007365   -0.000011743
     72        6           0.000002529    0.000001741   -0.000012299
     73        6          -0.000003547   -0.000005714    0.000010783
     74        6           0.000000273   -0.000005784   -0.000002586
     75        6           0.000002556    0.000002472    0.000004507
     76        6           0.000003610   -0.000002522   -0.000004860
     77        6          -0.000003666    0.000002559    0.000000682
     78        6          -0.000010182   -0.000005977   -0.000007294
     79        6           0.000007523    0.000005311    0.000008609
     80        8           0.000094070    0.000031231   -0.000056302
     81       15          -0.000308355   -0.000029296   -0.000166616
     82        8           0.000128634    0.000045595   -0.000014867
     83        8           0.000012647    0.000006376   -0.000019377
     84        6          -0.000033593    0.000105672    0.000054505
     85        6          -0.000017316    0.000041949    0.000064832
     86        6          -0.000008194    0.000007243   -0.000013497
     87        6          -0.000006819   -0.000010366    0.000008480
     88        1           0.000008159   -0.000006276    0.000002211
     89        1           0.000000235   -0.000002795   -0.000008077
     90        1           0.000003591    0.000002979    0.000008561
     91        1           0.000004761    0.000005087   -0.000021874
     92        1          -0.000001971   -0.000002753    0.000013375
     93        1          -0.000019240   -0.000001622    0.000012048
     94        1          -0.000012585   -0.000000209   -0.000014963
     95        1           0.000002188    0.000000304    0.000002146
     96        1          -0.000005393    0.000000692    0.000001007
     97        1          -0.000000555    0.000001299    0.000007090
     98        1          -0.000004139   -0.000008104   -0.000002543
     99        1          -0.000005233   -0.000001598   -0.000000886
    100        1           0.000000872   -0.000001349    0.000001636
    101        1          -0.000002630   -0.000000872    0.000002589
    102        1          -0.000001303    0.000002449    0.000001932
    103        1          -0.000000060   -0.000001657   -0.000000866
    104        1          -0.000001802    0.000003513   -0.000001146
    105        1          -0.000003204    0.000000387    0.000001672
    106        1           0.000006310    0.000002321    0.000000535
    107        1           0.000001478    0.000002773    0.000001026
    108        1          -0.000000996   -0.000001534   -0.000000924
    109        1           0.000000553    0.000005389   -0.000005034
    110        1          -0.000001589   -0.000005390    0.000005090
    111        1           0.000002279   -0.000003396   -0.000002363
    112        1           0.000003956   -0.000000628    0.000003379
    113        1           0.000005146    0.000007698   -0.000001563
    114        1          -0.000003663    0.000002462    0.000002129
    115        1          -0.000001958    0.000002465   -0.000005555
    116        1           0.000002044   -0.000003847    0.000005144
    117        1           0.000003086    0.000003322   -0.000004058
    118        1          -0.000003478   -0.000002049    0.000004932
    119        1          -0.000003213   -0.000003918   -0.000002927
    120        1           0.000001754   -0.000001294    0.000005301
    121        1           0.000000631    0.000001562   -0.000002566
    122        1           0.000000081    0.000004926    0.000001782
    123        1          -0.000000995    0.000003553   -0.000006194
    124        1          -0.000000741   -0.000004660    0.000005939
    125        1           0.000001113   -0.000001160    0.000006239
    126        1          -0.000000537    0.000002104   -0.000006533
    127        1          -0.000001903    0.000004852    0.000000470
    128        1          -0.000007213   -0.000007721   -0.000004853
    129        1          -0.000001334   -0.000001306    0.000004761
    130        1           0.000003547   -0.000003649   -0.000001196
    131        1           0.000004197    0.000001395    0.000005361
    132        1          -0.000003996    0.000000430   -0.000006907
    133        1          -0.000041815   -0.000018329   -0.000001581
    134        1           0.000045906   -0.000066226    0.000035130
    135        1           0.000030297   -0.000004551    0.000027688
    136        1          -0.000022780    0.000015824   -0.000022216
    137        1          -0.000009475    0.000000620   -0.000003526
    138        1           0.000007095   -0.000006861   -0.000004231
    139        1           0.000004851   -0.000005773    0.000006376
    140        1          -0.000000818    0.000000084   -0.000000450
    141        1           0.000003437   -0.000000043   -0.000003083
    142        1           0.000002516   -0.000000830    0.000002678
    143       17           0.000344133   -0.000503099   -0.001028697
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001248601 RMS     0.000120739

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000922197 RMS     0.000063414
 Search for a local minimum.
 Step number  26 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   18   19   20   21   22
                                                     23   24   25   26
 DE=  6.39D-05 DEPred=-6.42D-05 R=-9.95D-01
 Trust test=-9.95D-01 RLast= 1.71D-01 DXMaxT set to 6.00D-01
 ITU= -1  1  1  1  1  1  1 -1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  0  0  1  0
     Eigenvalues ---    0.00097   0.00291   0.00418   0.00420   0.00648
     Eigenvalues ---    0.00810   0.01285   0.01596   0.01659   0.02239
     Eigenvalues ---    0.02312   0.02557   0.02612   0.02627   0.02681
     Eigenvalues ---    0.02705   0.02708   0.02714   0.02716   0.02723
     Eigenvalues ---    0.02726   0.02729   0.02732   0.02735   0.02750
     Eigenvalues ---    0.02757   0.02769   0.02771   0.02774   0.02774
     Eigenvalues ---    0.02777   0.02781   0.02785   0.02786   0.02786
     Eigenvalues ---    0.02789   0.02791   0.02791   0.02792   0.02792
     Eigenvalues ---    0.02792   0.02793   0.02795   0.02796   0.02801
     Eigenvalues ---    0.02802   0.02802   0.02803   0.02804   0.02806
     Eigenvalues ---    0.02807   0.02807   0.02808   0.02809   0.02810
     Eigenvalues ---    0.02811   0.02812   0.02815   0.02817   0.02817
     Eigenvalues ---    0.02818   0.02818   0.02819   0.02819   0.02821
     Eigenvalues ---    0.02827   0.02832   0.02837   0.02844   0.02845
     Eigenvalues ---    0.02845   0.02846   0.02847   0.02847   0.02850
     Eigenvalues ---    0.02852   0.02861   0.02865   0.02868   0.02868
     Eigenvalues ---    0.02869   0.02872   0.02872   0.02873   0.02876
     Eigenvalues ---    0.02876   0.02877   0.02878   0.02878   0.02879
     Eigenvalues ---    0.02882   0.02884   0.02885   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02886   0.02886   0.02887   0.02890
     Eigenvalues ---    0.02892   0.02893   0.02896   0.02897   0.02898
     Eigenvalues ---    0.02899   0.02899   0.02899   0.02902   0.02904
     Eigenvalues ---    0.02910   0.02910   0.02929   0.02941   0.02942
     Eigenvalues ---    0.02952   0.03005   0.03024   0.03026   0.03026
     Eigenvalues ---    0.03127   0.03133   0.03134   0.03134   0.03144
     Eigenvalues ---    0.03149   0.03210   0.03271   0.03469   0.03582
     Eigenvalues ---    0.03990   0.04633   0.04755   0.05377   0.05555
     Eigenvalues ---    0.05578   0.05611   0.05726   0.05727   0.05753
     Eigenvalues ---    0.07450   0.08880   0.09446   0.10485   0.11090
     Eigenvalues ---    0.11431   0.11719   0.12606   0.13659   0.15233
     Eigenvalues ---    0.15622   0.15795   0.15909   0.15934   0.15972
     Eigenvalues ---    0.15984   0.15986   0.15986   0.15987   0.15988
     Eigenvalues ---    0.15993   0.15995   0.15996   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15998   0.15998   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16002   0.16006
     Eigenvalues ---    0.16011   0.16011   0.16038   0.16088   0.16118
     Eigenvalues ---    0.16216   0.16777   0.17413   0.18741   0.20013
     Eigenvalues ---    0.20899   0.21993   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22001   0.22003
     Eigenvalues ---    0.22042   0.22380   0.22422   0.22509   0.22601
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22603   0.22696
     Eigenvalues ---    0.22953   0.22968   0.22994   0.23183   0.23303
     Eigenvalues ---    0.23456   0.23513   0.23757   0.23968   0.24000
     Eigenvalues ---    0.24201   0.24478   0.24486   0.24489   0.24491
     Eigenvalues ---    0.24527   0.24534   0.24761   0.24885   0.24978
     Eigenvalues ---    0.24984   0.24985   0.24985   0.24986   0.24986
     Eigenvalues ---    0.24993   0.24997   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25000   0.25002   0.25005   0.25013   0.25024
     Eigenvalues ---    0.25077   0.25107   0.25453   0.26435   0.27968
     Eigenvalues ---    0.28356   0.29161   0.29781   0.29788   0.30527
     Eigenvalues ---    0.32016   0.32098   0.32128   0.32141   0.32148
     Eigenvalues ---    0.32158   0.32178   0.32221   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33295   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33460   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33633   0.33638
     Eigenvalues ---    0.33641   0.33643   0.33647   0.33663   0.33703
     Eigenvalues ---    0.33722   0.33743   0.33820   0.33830   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33922   0.33941
     Eigenvalues ---    0.33947   0.33955   0.33960   0.34444   0.34507
     Eigenvalues ---    0.34818   0.34920   0.35060   0.38626   0.41282
     Eigenvalues ---    0.42025   0.42997   0.44429   0.44435   0.44439
     Eigenvalues ---    0.44455   0.45552   0.46991   0.48747   0.48934
     Eigenvalues ---    0.48975   0.49188   0.49253   0.49455   0.49798
     Eigenvalues ---    0.49810   0.49828   0.49852   0.49919   0.49957
     Eigenvalues ---    0.50027   0.50180   0.50394   0.50408   0.50519
     Eigenvalues ---    0.50610   0.50615   0.50617   0.51477   0.51988
     Eigenvalues ---    0.52172   0.52416   0.52792   0.52847   0.53685
     Eigenvalues ---    0.54077   0.54112   0.54199   0.54201   0.54206
     Eigenvalues ---    0.54250   0.54403   0.54934   0.55131   0.55287
     Eigenvalues ---    0.55323   0.55342   0.55356   0.55389   0.55420
     Eigenvalues ---    0.55424   0.55485   0.55574   0.55629   0.55700
     Eigenvalues ---    0.55705   0.55760   0.55842   0.55939   0.55948
     Eigenvalues ---    0.56147   0.56152   0.56153   0.56222   0.56265
     Eigenvalues ---    0.56299   0.56326   0.56638   0.56663   0.56665
     Eigenvalues ---    0.56669   0.56670   0.56681   0.56689   0.56846
     Eigenvalues ---    0.56906   0.56915   0.57016   0.57132   0.57174
     Eigenvalues ---    0.57179   0.57192   0.57196   0.57210   0.57651
     Eigenvalues ---    0.61811   0.62563   0.65979   0.66056   0.67649
     Eigenvalues ---    0.67658   0.67661   0.68804   0.69932   0.70079
     Eigenvalues ---    0.72056   0.75011   0.80055
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    26   25   24   23   22   21   20   19   18   17
 RFO step:  Lambda=-1.24089676D-04.
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 EnCoef did   100 forward-backward iterations
 Rare condition: small coef for last iteration:  0.999D-05
 EnCoef did     2 forward-backward iterations
 DidBck=T Rises=T En-DIIS coefs:    0.10462    0.61624    0.00000    0.27913    0.00000
                  En-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.04367212 RMS(Int)=  0.00009223
 Iteration  2 RMS(Cart)=  0.00066973 RMS(Int)=  0.00002263
 Iteration  3 RMS(Cart)=  0.00000007 RMS(Int)=  0.00002263
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64671   0.00000   0.00025   0.00052   0.00076   2.64748
    R2        2.66050   0.00001  -0.00013  -0.00006  -0.00019   2.66031
    R3        2.80230   0.00002   0.00034  -0.00068  -0.00034   2.80196
    R4        2.64644  -0.00003  -0.00031  -0.00035  -0.00067   2.64577
    R5        2.04869  -0.00000   0.00011   0.00001   0.00012   2.04881
    R6        2.66552  -0.00020  -0.00026   0.00009  -0.00019   2.66533
    R7        2.78957  -0.00010   0.00073   0.00055   0.00126   2.79083
    R8        2.64686  -0.00000  -0.00022  -0.00024  -0.00045   2.64641
    R9        2.78048  -0.00004   0.00093  -0.00006   0.00086   2.78135
   R10        2.61980   0.00001   0.00043   0.00013   0.00056   2.62036
   R11        2.04831  -0.00000   0.00007   0.00007   0.00015   2.04846
   R12        2.05097   0.00000   0.00000  -0.00002  -0.00002   2.05095
   R13        2.67971  -0.00010  -0.00080  -0.00029  -0.00109   2.67862
   R14        2.64455  -0.00004  -0.00012  -0.00007  -0.00020   2.64435
   R15        2.83414  -0.00071   0.00768   0.00381   0.01151   2.84564
   R16        2.64564  -0.00004  -0.00138  -0.00095  -0.00233   2.64331
   R17        2.83980  -0.00032   0.00690   0.00379   0.01073   2.85053
   R18        2.69374  -0.00092   0.00863   0.00294   0.01162   2.70536
   R19        4.01158  -0.00072  -0.08007  -0.03134  -0.11138   3.90020
   R20        2.43485  -0.00009  -0.00212  -0.00117  -0.00328   2.43157
   R21        2.64703   0.00000   0.00011   0.00019   0.00029   2.64732
   R22        2.04775   0.00000   0.00011   0.00006   0.00017   2.04792
   R23        2.65018  -0.00001  -0.00058  -0.00059  -0.00117   2.64901
   R24        2.80090  -0.00003   0.00038   0.00012   0.00050   2.80141
   R25        2.62369   0.00003   0.00100   0.00065   0.00166   2.62535
   R26        2.05037  -0.00000   0.00002   0.00005   0.00007   2.05045
   R27        2.04153  -0.00002  -0.00018  -0.00005  -0.00023   2.04130
   R28        2.69636   0.00000   0.00017   0.00157   0.00172   2.69808
   R29        3.32972  -0.00011  -0.00650  -0.00277  -0.00929   3.32043
   R30        5.41046  -0.00051  -0.04702  -0.01323  -0.06025   5.35021
   R31        2.67221  -0.00035  -0.00072  -0.00083  -0.00159   2.67062
   R32        2.65289  -0.00003   0.00004  -0.00053  -0.00049   2.65240
   R33        2.61534  -0.00017   0.00119   0.00185   0.00302   2.61836
   R34        2.65049  -0.00004  -0.00065  -0.00072  -0.00137   2.64912
   R35        2.62467   0.00003   0.00051   0.00053   0.00104   2.62571
   R36        2.03806  -0.00001  -0.00017   0.00004  -0.00013   2.03793
   R37        2.65925  -0.00005  -0.00072  -0.00061  -0.00133   2.65792
   R38        2.05119   0.00000   0.00002   0.00002   0.00004   2.05123
   R39        2.63350   0.00001   0.00040   0.00061   0.00102   2.63451
   R40        2.80141   0.00000   0.00007  -0.00016  -0.00009   2.80131
   R41        2.04942   0.00000   0.00003   0.00000   0.00003   2.04946
   R42        2.65588  -0.00001  -0.00005   0.00013   0.00008   2.65596
   R43        2.65572  -0.00001  -0.00008   0.00020   0.00012   2.65584
   R44        2.65548   0.00001  -0.00004  -0.00015  -0.00019   2.65529
   R45        2.65559   0.00001  -0.00008  -0.00010  -0.00018   2.65541
   R46        2.65541  -0.00000   0.00009  -0.00007   0.00002   2.65543
   R47        2.65556  -0.00001   0.00004  -0.00000   0.00004   2.65560
   R48        2.62901  -0.00001   0.00007   0.00008   0.00014   2.62915
   R49        2.05132  -0.00000  -0.00003   0.00006   0.00003   2.05135
   R50        2.64738  -0.00000  -0.00006  -0.00001  -0.00007   2.64732
   R51        2.04996   0.00001   0.00003  -0.00005  -0.00001   2.04994
   R52        2.64711  -0.00000  -0.00009   0.00007  -0.00001   2.64710
   R53        2.67958   0.00001   0.00024  -0.00020   0.00004   2.67962
   R54        2.62926  -0.00001   0.00010   0.00001   0.00011   2.62937
   R55        2.04995   0.00000   0.00003  -0.00004  -0.00001   2.04993
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   R59        2.64688   0.00001  -0.00007   0.00012   0.00005   2.64694
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   R149       2.86288   0.00002   0.00026   0.00010   0.00035   2.86323
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    A2        2.10892   0.00002  -0.00011   0.00012   0.00001   2.10893
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    A4        2.12783  -0.00001  -0.00026   0.00012  -0.00015   2.12768
    A5        2.06990   0.00002   0.00028   0.00025   0.00054   2.07044
    A6        2.08469  -0.00000   0.00002  -0.00040  -0.00038   2.08432
    A7        2.07092   0.00004   0.00025   0.00010   0.00036   2.07127
    A8        2.14524   0.00003   0.00095   0.00001   0.00099   2.14623
    A9        2.06398  -0.00008  -0.00135  -0.00013  -0.00152   2.06246
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   A11        2.09688  -0.00001  -0.00081  -0.00012  -0.00094   2.09594
   A12        2.09519  -0.00001   0.00070   0.00030   0.00102   2.09621
   A13        2.10531  -0.00001  -0.00010   0.00008  -0.00002   2.10529
   A14        2.06647   0.00000   0.00010  -0.00003   0.00007   2.06654
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   A16        2.10607  -0.00002  -0.00017   0.00015  -0.00002   2.10605
   A17        2.08872   0.00002   0.00003   0.00006   0.00009   2.08881
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   A19        2.09469  -0.00004  -0.00060   0.00011  -0.00050   2.09419
   A20        2.10729   0.00001  -0.00043  -0.00028  -0.00071   2.10657
   A21        2.07423   0.00003   0.00072   0.00011   0.00084   2.07507
   A22        2.07148   0.00007  -0.00080  -0.00048  -0.00125   2.07023
   A23        2.06879   0.00001  -0.00030   0.00044   0.00012   2.06891
   A24        2.13839  -0.00009   0.00138   0.00010   0.00146   2.13986
   A25        1.94533   0.00010  -0.01129  -0.00293  -0.01435   1.93099
   A26        2.05827  -0.00014  -0.00757  -0.00347  -0.01118   2.04709
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   A28        2.01766  -0.00011  -0.00637  -0.00242  -0.00898   2.00869
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   A30        2.02599  -0.00005  -0.00324  -0.00117  -0.00443   2.02156
   A31        2.08486  -0.00009   0.00049   0.00006   0.00052   2.08538
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   A34        2.07755   0.00000  -0.00011   0.00015   0.00004   2.07759
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   A37        2.10913   0.00001   0.00017  -0.00007   0.00010   2.10923
   A38        2.11938   0.00001   0.00035  -0.00008   0.00027   2.11965
   A39        2.10781  -0.00000   0.00033   0.00008   0.00041   2.10821
   A40        2.09456   0.00000   0.00010  -0.00018  -0.00007   2.09449
   A41        2.08062  -0.00000  -0.00044   0.00011  -0.00033   2.08029
   A42        2.11914  -0.00002  -0.00007  -0.00029  -0.00035   2.11879
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   A45        2.08062   0.00019   0.00182   0.00073   0.00272   2.08334
   A46        2.06124  -0.00013  -0.00139   0.00060  -0.00082   2.06043
   A47        2.08422  -0.00008   0.00135  -0.00015   0.00103   2.08525
   A48        2.06999   0.00018   0.01208   0.00828   0.02033   2.09031
   A49        1.55656  -0.00002   0.00557   0.00265   0.00822   1.56478
   A50        2.07789  -0.00002   0.00079   0.00039   0.00114   2.07903
   A51        2.15067  -0.00001   0.00063  -0.00054   0.00011   2.15078
   A52        2.05375   0.00003  -0.00135   0.00018  -0.00116   2.05259
   A53        2.14057  -0.00013  -0.00028  -0.00014  -0.00045   2.14012
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   A56        2.07846  -0.00009   0.00089   0.00029   0.00120   2.07966
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   A58        2.10589  -0.00001   0.00050  -0.00012   0.00039   2.10628
   A59        2.06817   0.00001  -0.00129   0.00024  -0.00104   2.06713
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   A112       2.10003   0.00001   0.00001  -0.00019  -0.00017   2.09986
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   A116       2.10186  -0.00000  -0.00004   0.00010   0.00006   2.10192
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   A118       2.08495   0.00000  -0.00000   0.00010   0.00009   2.08504
   A119       2.09970   0.00000   0.00002  -0.00015  -0.00012   2.09958
   A120       2.11748  -0.00000   0.00007   0.00015   0.00022   2.11770
   A121       2.08554  -0.00000   0.00014  -0.00015  -0.00001   2.08553
   A122       2.07943   0.00000  -0.00021  -0.00000  -0.00021   2.07922
   A123       2.19596   0.00001  -0.00006   0.00006  -0.00000   2.19595
   A124       2.19626  -0.00001  -0.00011   0.00013   0.00002   2.19629
   A125       1.89096  -0.00000   0.00017  -0.00019  -0.00002   1.89094
   A126       2.19624  -0.00000  -0.00008   0.00003  -0.00005   2.19619
   A127       2.19613  -0.00000   0.00002   0.00002   0.00004   2.19617
   A128       1.89081   0.00001   0.00006  -0.00005   0.00001   1.89082
   A129       2.19609   0.00000  -0.00012   0.00014   0.00002   2.19611
   A130       2.19610  -0.00001  -0.00004   0.00001  -0.00003   2.19607
   A131       1.89100   0.00000   0.00016  -0.00015   0.00001   1.89101
   A132       1.90143  -0.00000   0.00002   0.00003   0.00005   1.90148
   A133       2.25992  -0.00001  -0.00004   0.00013   0.00009   2.26001
   A134       2.12132   0.00002   0.00004  -0.00019  -0.00014   2.12117
   A135       1.86556   0.00000  -0.00005   0.00001  -0.00005   1.86551
   A136       2.08645  -0.00001  -0.00005   0.00015   0.00010   2.08655
   A137       2.33111   0.00001   0.00012  -0.00018  -0.00006   2.33105
   A138       1.86552   0.00000  -0.00004   0.00000  -0.00004   1.86548
   A139       2.33112   0.00001   0.00009  -0.00015  -0.00006   2.33106
   A140       2.08647  -0.00001  -0.00004   0.00013   0.00010   2.08657
   A141       1.90145  -0.00000   0.00001   0.00002   0.00003   1.90148
   A142       2.25999  -0.00001  -0.00001   0.00012   0.00012   2.26011
   A143       2.12124   0.00001   0.00001  -0.00017  -0.00015   2.12108
   A144       1.90154  -0.00001  -0.00002   0.00001  -0.00001   1.90153
   A145       2.25967  -0.00000  -0.00003   0.00022   0.00020   2.25986
   A146       2.12149   0.00001   0.00008  -0.00028  -0.00020   2.12130
   A147       1.86536   0.00001  -0.00006   0.00008   0.00002   1.86538
   A148       2.08629  -0.00001  -0.00010   0.00025   0.00015   2.08644
   A149       2.33147   0.00000   0.00017  -0.00035  -0.00017   2.33129
   A150       1.86542   0.00001  -0.00006   0.00007   0.00002   1.86543
   A151       2.33143   0.00000   0.00017  -0.00033  -0.00016   2.33127
   A152       2.08628  -0.00001  -0.00011   0.00024   0.00013   2.08642
   A153       1.90149  -0.00000  -0.00003   0.00002  -0.00000   1.90149
   A154       2.25973  -0.00000  -0.00005   0.00021   0.00016   2.25990
   A155       2.12149   0.00001   0.00010  -0.00027  -0.00017   2.12132
   A156       1.90161  -0.00000   0.00003   0.00001   0.00004   1.90165
   A157       2.25945  -0.00001  -0.00012   0.00020   0.00008   2.25954
   A158       2.12166   0.00001   0.00012  -0.00025  -0.00013   2.12154
   A159       1.86527   0.00000  -0.00010   0.00006  -0.00004   1.86523
   A160       2.08622  -0.00001  -0.00012   0.00021   0.00009   2.08631
   A161       2.33164   0.00001   0.00023  -0.00029  -0.00006   2.33158
   A162       1.86522   0.00000  -0.00009   0.00004  -0.00005   1.86517
   A163       2.33172   0.00001   0.00022  -0.00028  -0.00005   2.33166
   A164       2.08619  -0.00001  -0.00013   0.00022   0.00009   2.08629
   A165       1.90168  -0.00000   0.00000   0.00004   0.00004   1.90172
   A166       2.25959  -0.00001  -0.00009   0.00017   0.00008   2.25967
   A167       2.12147   0.00001   0.00012  -0.00025  -0.00013   2.12134
   A168       2.07983  -0.00000   0.00001   0.00001   0.00002   2.07985
   A169       2.10015   0.00001   0.00003  -0.00012  -0.00010   2.10005
   A170       2.10320  -0.00000  -0.00003   0.00011   0.00008   2.10327
   A171       2.10402   0.00001   0.00001  -0.00008  -0.00007   2.10395
   A172       2.09201  -0.00001  -0.00003   0.00013   0.00010   2.09211
   A173       2.08714   0.00000   0.00001  -0.00005  -0.00003   2.08711
   A174       2.11973  -0.00000  -0.00000   0.00006   0.00006   2.11979
   A175       2.08508   0.00000  -0.00002  -0.00001  -0.00003   2.08505
   A176       2.07836   0.00000   0.00003  -0.00005  -0.00003   2.07834
   A177       2.05491  -0.00000   0.00000   0.00005   0.00005   2.05496
   A178       2.11742  -0.00000  -0.00005   0.00007   0.00002   2.11744
   A179       2.11083   0.00001   0.00005  -0.00012  -0.00007   2.11076
   A180       2.05479  -0.00001  -0.00000   0.00005   0.00004   2.05483
   A181       2.11749  -0.00000  -0.00004   0.00006   0.00002   2.11750
   A182       2.11088   0.00001   0.00004  -0.00010  -0.00006   2.11082
   A183       2.11982  -0.00000  -0.00001   0.00008   0.00006   2.11988
   A184       2.07822   0.00000   0.00003  -0.00007  -0.00004   2.07819
   A185       2.08514   0.00000  -0.00002  -0.00001  -0.00003   2.08511
   A186       2.10401   0.00001   0.00002  -0.00009  -0.00007   2.10394
   A187       2.08724   0.00000   0.00001  -0.00004  -0.00003   2.08721
   A188       2.09192  -0.00001  -0.00003   0.00013   0.00010   2.09202
   A189       2.07982  -0.00000   0.00000   0.00001   0.00001   2.07983
   A190       2.10015   0.00001   0.00003  -0.00013  -0.00009   2.10005
   A191       2.10321  -0.00000  -0.00004   0.00012   0.00008   2.10329
   A192       2.07984  -0.00000   0.00001   0.00000   0.00001   2.07985
   A193       2.10014   0.00001   0.00003  -0.00014  -0.00010   2.10004
   A194       2.10319  -0.00000  -0.00004   0.00014   0.00010   2.10328
   A195       2.10407   0.00000   0.00005  -0.00014  -0.00009   2.10399
   A196       2.09192  -0.00001  -0.00004   0.00015   0.00011   2.09203
   A197       2.08718   0.00000  -0.00001  -0.00001  -0.00002   2.08715
   A198       2.11979  -0.00000  -0.00002   0.00009   0.00006   2.11985
   A199       2.08514   0.00000  -0.00002   0.00003   0.00000   2.08514
   A200       2.07825   0.00000   0.00005  -0.00011  -0.00007   2.07818
   A201       2.05474  -0.00000  -0.00003   0.00008   0.00005   2.05479
   A202       2.11728  -0.00000  -0.00006   0.00017   0.00011   2.11739
   A203       2.11115   0.00000   0.00009  -0.00025  -0.00016   2.11098
   A204       2.05474  -0.00000  -0.00002   0.00008   0.00006   2.05480
   A205       2.11725  -0.00000  -0.00005   0.00020   0.00014   2.11740
   A206       2.11117   0.00000   0.00007  -0.00028  -0.00020   2.11097
   A207       2.11977  -0.00000  -0.00002   0.00009   0.00007   2.11984
   A208       2.07831   0.00000   0.00005  -0.00012  -0.00007   2.07823
   A209       2.08510   0.00000  -0.00003   0.00003   0.00000   2.08510
   A210       2.10410   0.00000   0.00005  -0.00014  -0.00009   2.10400
   A211       2.08712   0.00000  -0.00000  -0.00002  -0.00002   2.08710
   A212       2.09195  -0.00001  -0.00004   0.00016   0.00011   2.09206
   A213       2.07982  -0.00000   0.00002  -0.00001   0.00001   2.07983
   A214       2.10015   0.00001   0.00004  -0.00014  -0.00011   2.10004
   A215       2.10320  -0.00001  -0.00005   0.00015   0.00010   2.10330
   A216       2.07993  -0.00000   0.00001   0.00000   0.00001   2.07994
   A217       2.10014   0.00001   0.00004  -0.00014  -0.00010   2.10004
   A218       2.10311  -0.00000  -0.00005   0.00014   0.00009   2.10320
   A219       2.10407   0.00001   0.00006  -0.00013  -0.00007   2.10400
   A220       2.09191  -0.00001  -0.00005   0.00015   0.00010   2.09201
   A221       2.08720   0.00000  -0.00001  -0.00002  -0.00003   2.08717
   A222       2.11976  -0.00000  -0.00002   0.00009   0.00007   2.11983
   A223       2.08502   0.00000  -0.00003   0.00001  -0.00002   2.08501
   A224       2.07840   0.00000   0.00005  -0.00010  -0.00005   2.07835
   A225       2.05481  -0.00000  -0.00004   0.00006   0.00003   2.05484
   A226       2.11684  -0.00000  -0.00010   0.00012   0.00002   2.11686
   A227       2.11151   0.00001   0.00014  -0.00018  -0.00004   2.11147
   A228       2.05458  -0.00000  -0.00004   0.00006   0.00003   2.05460
   A229       2.11725  -0.00000  -0.00013   0.00015   0.00002   2.11727
   A230       2.11134   0.00000   0.00017  -0.00022  -0.00005   2.11130
   A231       2.11985  -0.00000  -0.00002   0.00009   0.00007   2.11992
   A232       2.07824   0.00000   0.00006  -0.00011  -0.00005   2.07819
   A233       2.08509   0.00000  -0.00004   0.00002  -0.00002   2.08507
   A234       2.10415   0.00000   0.00006  -0.00013  -0.00007   2.10408
   A235       2.08711   0.00000  -0.00001  -0.00003  -0.00003   2.08708
   A236       2.09191  -0.00001  -0.00005   0.00015   0.00010   2.09202
   A237       2.07977  -0.00000   0.00001   0.00000   0.00001   2.07978
   A238       2.10020   0.00001   0.00004  -0.00014  -0.00010   2.10010
   A239       2.10320  -0.00001  -0.00004   0.00013   0.00009   2.10329
   A240       2.01840   0.00003  -0.00131  -0.00018  -0.00155   2.01685
   A241       1.84314  -0.00003   0.00260  -0.00020   0.00248   1.84562
   A242       1.72641  -0.00004   0.00282   0.00167   0.00453   1.73095
   A243       2.03078  -0.00001  -0.00286   0.00041  -0.00243   2.02834
   A244       2.03090  -0.00001   0.00056  -0.00008   0.00048   2.03138
   A245       1.77327   0.00005  -0.00083  -0.00162  -0.00252   1.77075
   A246       2.11728  -0.00009  -0.00195   0.00003  -0.00182   2.11545
   A247       2.06212   0.00001   0.00051  -0.00017   0.00035   2.06247
   A248       1.87753   0.00009   0.00079  -0.00001   0.00084   1.87837
   A249       1.87786  -0.00003   0.00070   0.00123   0.00192   1.87978
   A250       1.89544  -0.00004  -0.00013   0.00043   0.00023   1.89568
   A251       1.95640  -0.00003  -0.00172  -0.00067  -0.00244   1.95395
   A252       1.96095  -0.00004  -0.00088  -0.00089  -0.00174   1.95921
   A253       1.89300   0.00005   0.00133   0.00004   0.00140   1.89440
   A254       1.90939   0.00007   0.00082  -0.00019   0.00064   1.91003
   A255       1.93840  -0.00005  -0.00061  -0.00002  -0.00064   1.93776
   A256       1.93779  -0.00001  -0.00028  -0.00012  -0.00040   1.93739
   A257       1.89067  -0.00001   0.00008   0.00014   0.00022   1.89090
   A258       1.89028  -0.00002   0.00007   0.00021   0.00028   1.89056
   A259       1.89607   0.00002  -0.00007  -0.00000  -0.00007   1.89600
   A260       1.88112   0.00001   0.00005  -0.00009  -0.00004   1.88108
   A261       1.89102  -0.00000   0.00019  -0.00002   0.00017   1.89119
   A262       1.89379   0.00000   0.00011  -0.00003   0.00009   1.89388
   A263       1.94736  -0.00001  -0.00017   0.00017  -0.00000   1.94736
   A264       1.95148  -0.00001  -0.00004  -0.00010  -0.00014   1.95134
   A265       1.89741   0.00000  -0.00011   0.00006  -0.00005   1.89736
   A266       1.93722  -0.00000  -0.00014   0.00009  -0.00005   1.93717
   A267       1.91342   0.00001   0.00012  -0.00002   0.00010   1.91352
   A268       1.93454   0.00000  -0.00001  -0.00010  -0.00010   1.93443
   A269       1.89199  -0.00000   0.00007   0.00003   0.00009   1.89209
   A270       1.89331  -0.00000  -0.00005   0.00001  -0.00004   1.89327
   A271       1.89224  -0.00000   0.00002  -0.00000   0.00001   1.89225
   A272       1.89283  -0.00001  -0.00160   0.00428   0.00268   1.89552
   A273       1.65940  -0.00006  -0.00508  -0.00128  -0.00640   1.65299
   A274       1.73041  -0.00012   0.00657  -0.01172  -0.00520   1.72521
   A275       1.80566  -0.00011   0.00501   0.00077   0.00570   1.81136
   A276       1.23981   0.00008   0.00162  -0.01138  -0.00975   1.23006
   A277       1.34087   0.00007  -0.00046  -0.00323  -0.00374   1.33713
   A278       0.56162   0.00001  -0.00363  -0.00198  -0.00559   0.55603
    D1        0.01093   0.00000   0.00017  -0.00037  -0.00020   0.01074
    D2        3.11032  -0.00001   0.00118  -0.00090   0.00028   3.11060
    D3       -3.13028   0.00001   0.00007  -0.00053  -0.00046  -3.13075
    D4       -0.03090  -0.00000   0.00107  -0.00106   0.00002  -0.03088
    D5       -0.03104   0.00000   0.00029  -0.00038  -0.00009  -0.03112
    D6        3.10448   0.00001   0.00028  -0.00100  -0.00072   3.10376
    D7        3.11018  -0.00000   0.00040  -0.00022   0.00018   3.11036
    D8       -0.03749   0.00000   0.00039  -0.00084  -0.00045  -0.03794
    D9        2.49215   0.00000  -0.00211   0.00540   0.00328   2.49544
   D10       -0.64990   0.00000  -0.00210   0.00514   0.00305  -0.64686
   D11       -0.64905   0.00001  -0.00222   0.00523   0.00301  -0.64604
   D12        2.49208   0.00001  -0.00221   0.00498   0.00277   2.49485
   D13        0.03393  -0.00001  -0.00073   0.00109   0.00035   0.03428
   D14       -3.02235  -0.00002   0.00145   0.00138   0.00284  -3.01952
   D15       -3.06511   0.00000  -0.00175   0.00160  -0.00015  -3.06526
   D16        0.16179  -0.00001   0.00043   0.00189   0.00233   0.16413
   D17       -0.05927   0.00001   0.00083  -0.00106  -0.00023  -0.05950
   D18        3.04817  -0.00000   0.00152   0.00026   0.00178   3.04995
   D19        3.00102   0.00003  -0.00113  -0.00133  -0.00247   2.99855
   D20       -0.17472   0.00002  -0.00045  -0.00001  -0.00046  -0.17519
   D21       -2.92368   0.00004   0.00330   0.00302   0.00633  -2.91736
   D22        0.34605   0.00004   0.00595   0.00367   0.00963   0.35568
   D23        0.30290   0.00002   0.00540   0.00330   0.00871   0.31161
   D24       -2.71055   0.00002   0.00804   0.00395   0.01202  -2.69853
   D25        0.04039  -0.00001  -0.00040   0.00033  -0.00007   0.04032
   D26       -3.11602  -0.00000   0.00044   0.00016   0.00061  -3.11541
   D27       -3.06708   0.00000  -0.00106  -0.00097  -0.00203  -3.06912
   D28        0.05969   0.00001  -0.00021  -0.00114  -0.00136   0.05833
   D29       -0.36595   0.00002  -0.01623  -0.00534  -0.02158  -0.38754
   D30        2.84305   0.00005  -0.01381  -0.00405  -0.01788   2.82517
   D31        2.74140   0.00001  -0.01555  -0.00402  -0.01959   2.72180
   D32       -0.33278   0.00004  -0.01314  -0.00273  -0.01589  -0.34867
   D33        0.00558   0.00000  -0.00018   0.00040   0.00022   0.00580
   D34       -3.12994  -0.00000  -0.00016   0.00101   0.00085  -3.12909
   D35       -3.12081  -0.00000  -0.00104   0.00057  -0.00047  -3.12129
   D36        0.02686  -0.00001  -0.00103   0.00119   0.00016   0.02701
   D37        0.12713  -0.00004   0.00709  -0.00075   0.00636   0.13350
   D38       -2.91505  -0.00003   0.00392  -0.00133   0.00260  -2.91245
   D39       -3.14018  -0.00004   0.00441  -0.00142   0.00300  -3.13718
   D40        0.10082  -0.00003   0.00123  -0.00200  -0.00076   0.10006
   D41        2.98548   0.00001  -0.00349   0.00089  -0.00262   2.98286
   D42       -0.07396   0.00002  -0.00306   0.00084  -0.00223  -0.07619
   D43       -0.02945   0.00002  -0.00078   0.00154   0.00075  -0.02870
   D44       -3.08889   0.00002  -0.00035   0.00148   0.00114  -3.08775
   D45       -0.63856  -0.00002  -0.01982  -0.00357  -0.02337  -0.66193
   D46       -3.03348   0.00020   0.01172   0.00787   0.01952  -3.01396
   D47        1.17417  -0.00003   0.00001   0.00189   0.00195   1.17612
   D48        2.39944  -0.00003  -0.01662  -0.00294  -0.01953   2.37991
   D49        0.00452   0.00019   0.01492   0.00849   0.02336   0.02788
   D50       -2.07102  -0.00004   0.00321   0.00252   0.00579  -2.06523
   D51       -0.09588   0.00002  -0.00073   0.00089   0.00015  -0.09573
   D52        3.01695   0.00001   0.00069   0.00179   0.00249   3.01944
   D53       -3.13403   0.00003  -0.00390   0.00031  -0.00361  -3.13763
   D54       -0.02120   0.00002  -0.00248   0.00122  -0.00127  -0.02247
   D55        0.75181   0.00002   0.02379   0.00652   0.03029   0.78210
   D56       -2.46088  -0.00003   0.02113   0.00512   0.02621  -2.43466
   D57       -3.11785  -0.00020  -0.00746  -0.00509  -0.01251  -3.13036
   D58       -0.04736  -0.00025  -0.01012  -0.00650  -0.01658  -0.06394
   D59       -1.18111   0.00026   0.01123   0.00472   0.01597  -1.16514
   D60        1.88938   0.00022   0.00857   0.00331   0.01190   1.90128
   D61        2.40790   0.00009  -0.02151  -0.01135  -0.03280   2.37510
   D62       -1.09205   0.00001  -0.01579  -0.00782  -0.02362  -1.11567
   D63        0.04304   0.00023   0.01347   0.00078   0.01423   0.05727
   D64        2.82627   0.00014   0.01919   0.00431   0.02341   2.84969
   D65        2.39399  -0.00004   0.00080   0.01262   0.01341   2.40740
   D66        1.82598  -0.00003   0.00377   0.01698   0.02073   1.84671
   D67       -1.88823   0.00002  -0.00238   0.01166   0.00922  -1.87900
   D68       -2.45624   0.00003   0.00058   0.01602   0.01654  -2.43970
   D69        3.09963   0.00007  -0.00107   0.00409   0.00303   3.10265
   D70        0.03138   0.00012   0.00182   0.00559   0.00742   0.03879
   D71       -0.04921   0.00000  -0.00016   0.00016  -0.00001  -0.04921
   D72        3.13227   0.00000  -0.00032   0.00002  -0.00029   3.13197
   D73        3.01076  -0.00000  -0.00061   0.00021  -0.00041   3.01035
   D74       -0.09096  -0.00000  -0.00077   0.00007  -0.00070  -0.09165
   D75        0.05601  -0.00001   0.00067  -0.00134  -0.00067   0.05534
   D76       -3.10705  -0.00001   0.00017  -0.00080  -0.00063  -3.10768
   D77       -3.12571  -0.00001   0.00082  -0.00120  -0.00038  -3.12610
   D78       -0.00559  -0.00001   0.00032  -0.00066  -0.00035  -0.00594
   D79        2.47901   0.00000   0.00062  -0.00276  -0.00213   2.47688
   D80       -0.66408   0.00001   0.00072  -0.00289  -0.00217  -0.66625
   D81       -0.62119   0.00001   0.00048  -0.00290  -0.00242  -0.62361
   D82        2.51891   0.00001   0.00058  -0.00304  -0.00246   2.51645
   D83        0.01650  -0.00001  -0.00021   0.00082   0.00061   0.01711
   D84       -3.09690   0.00000  -0.00162  -0.00008  -0.00171  -3.09861
   D85       -3.10379  -0.00000   0.00028   0.00028   0.00057  -3.10322
   D86        0.06599   0.00001  -0.00113  -0.00062  -0.00175   0.06424
   D87       -0.02776  -0.00011  -0.00968   0.00505  -0.00465  -0.03241
   D88       -3.12303  -0.00010  -0.01154   0.00446  -0.00710  -3.13013
   D89       -2.80623  -0.00001  -0.01492   0.00131  -0.01359  -2.81983
   D90        0.38167  -0.00000  -0.01678   0.00073  -0.01604   0.36564
   D91       -0.94244   0.00003   0.00303   0.01106   0.01418  -0.92826
   D92        2.24547   0.00004   0.00117   0.01048   0.01173   2.25720
   D93        0.13985   0.00010   0.00143  -0.00461  -0.00319   0.13666
   D94       -2.13245   0.00012   0.00406  -0.00485  -0.00085  -2.13330
   D95        2.32193   0.00008   0.00339  -0.00363  -0.00026   2.32166
   D96        2.92233   0.00007   0.00726  -0.00089   0.00635   2.92869
   D97        0.65003   0.00009   0.00989  -0.00113   0.00870   0.65872
   D98       -1.17878   0.00006   0.00922   0.00009   0.00928  -1.16950
   D99        0.77920  -0.00010  -0.01150  -0.01252  -0.02403   0.75517
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   D101       2.96127  -0.00012  -0.00954  -0.01154  -0.02110   2.94017
   D102      -1.12997   0.00009  -0.01217   0.00632  -0.00591  -1.13588
   D103      -1.70582   0.00009  -0.00854   0.00869   0.00002  -1.70579
   D104       1.02525   0.00004  -0.00254   0.01069   0.00818   1.03343
   D105       0.44940   0.00004   0.00109   0.01306   0.01412   0.46352
   D106       0.01045  -0.00004   0.00070  -0.00648  -0.00576   0.00469
   D107      -3.11381   0.00001   0.00036  -0.00333  -0.00297  -3.11679
   D108       3.10830  -0.00005   0.00250  -0.00595  -0.00343   3.10487
   D109      -0.01597  -0.00000   0.00216  -0.00280  -0.00063  -0.01660
   D110       3.11560  -0.00000   0.00008   0.00318   0.00326   3.11887
   D111      -0.02262   0.00000  -0.00069   0.00273   0.00205  -0.02058
   D112       0.01972   0.00001  -0.00180   0.00260   0.00080   0.02052
   D113      -3.11850   0.00001  -0.00257   0.00215  -0.00042  -3.11892
   D114      -0.01219   0.00003   0.00328   0.00110   0.00439  -0.00780
   D115       3.11265  -0.00001   0.00363  -0.00194   0.00171   3.11436
   D116       0.00081  -0.00001  -0.00094   0.00102   0.00008   0.00089
   D117       3.11477  -0.00001  -0.00063   0.00016  -0.00047   3.11430
   D118      -3.12443   0.00004  -0.00126   0.00400   0.00272  -3.12171
   D119      -0.01046   0.00004  -0.00096   0.00313   0.00217  -0.00830
   D120      -0.00854  -0.00001   0.00018  -0.00061  -0.00042  -0.00896
   D121       3.11216  -0.00000  -0.00029  -0.00044  -0.00073   3.11143
   D122       3.12976  -0.00001   0.00094  -0.00017   0.00077   3.13053
   D123      -0.03272  -0.00000   0.00047   0.00000   0.00046  -0.03226
   D124      -0.00685  -0.00000   0.00107  -0.00122  -0.00015  -0.00700
   D125       3.13968   0.00001   0.00088  -0.00070   0.00017   3.13985
   D126      -3.12728  -0.00001   0.00156  -0.00139   0.00017  -3.12712
   D127       0.01925   0.00000   0.00137  -0.00088   0.00049   0.01974
   D128       0.01061   0.00001  -0.00068   0.00100   0.00032   0.01093
   D129      -3.10196   0.00001  -0.00099   0.00190   0.00089  -3.10107
   D130      -3.13592   0.00000  -0.00049   0.00049  -0.00000  -3.13592
   D131       0.03469   0.00001  -0.00081   0.00138   0.00057   0.03526
   D132       0.61712   0.00000  -0.00331   0.00109  -0.00222   0.61490
   D133      -2.52495  -0.00000  -0.00338   0.00134  -0.00204  -2.52700
   D134      -2.51930   0.00001  -0.00350   0.00163  -0.00188  -2.52118
   D135       0.62181   0.00001  -0.00357   0.00188  -0.00170   0.62011
   D136      -3.13229  -0.00000   0.00003  -0.00025  -0.00022  -3.13251
   D137      -0.03683  -0.00000   0.00043  -0.00062  -0.00019  -0.03702
   D138       0.00975   0.00000   0.00002  -0.00000   0.00001   0.00976
   D139       3.10521  -0.00000   0.00042  -0.00037   0.00004   3.10525
   D140      -3.13498  -0.00000  -0.00009   0.00018   0.00009  -3.13488
   D141      -0.03900  -0.00000   0.00012  -0.00036  -0.00024  -0.03924
   D142       0.00617  -0.00000  -0.00007  -0.00006  -0.00013   0.00603
   D143       3.10214  -0.00000   0.00014  -0.00060  -0.00047   3.10168
   D144      -3.13393   0.00000  -0.00006  -0.00028  -0.00035  -3.13428
   D145      -0.03800   0.00000   0.00025  -0.00043  -0.00018  -0.03818
   D146       0.00911   0.00000  -0.00016  -0.00015  -0.00031   0.00880
   D147       3.10505   0.00000   0.00015  -0.00030  -0.00015   3.10490
   D148      -3.13293  -0.00000  -0.00014   0.00022   0.00008  -3.13285
   D149      -0.03856  -0.00000   0.00011   0.00020   0.00031  -0.03825
   D150       0.00722  -0.00000  -0.00004   0.00009   0.00004   0.00726
   D151       3.10158  -0.00000   0.00021   0.00007   0.00027   3.10186
   D152       3.13374  -0.00000   0.00010   0.00036   0.00046   3.13420
   D153       0.03690  -0.00000  -0.00002   0.00051   0.00049   0.03740
   D154      -0.00739  -0.00000   0.00017   0.00012   0.00029  -0.00710
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   D156       3.13563   0.00000   0.00019  -0.00035  -0.00016   3.13547
   D157       0.03558   0.00000   0.00002  -0.00026  -0.00023   0.03534
   D158      -0.00643   0.00000   0.00012  -0.00011   0.00001  -0.00641
   D159      -3.10648  -0.00000  -0.00005  -0.00002  -0.00006  -3.10654
   D160      -0.01665   0.00000   0.00026   0.00007   0.00033  -0.01632
   D161       3.10132   0.00000   0.00034  -0.00020   0.00014   3.10146
   D162      -3.11280  -0.00000  -0.00006   0.00023   0.00017  -3.11263
   D163       0.00517   0.00000   0.00002  -0.00004  -0.00002   0.00515
   D164       0.00772  -0.00000  -0.00014   0.00007  -0.00007   0.00765
   D165      -3.13387  -0.00000  -0.00010  -0.00002  -0.00012  -3.13399
   D166      -3.11045  -0.00000  -0.00022   0.00034   0.00011  -3.11034
   D167       0.03114  -0.00000  -0.00018   0.00025   0.00007   0.03121
   D168       0.00837   0.00000  -0.00006  -0.00013  -0.00019   0.00818
   D169      -3.10887   0.00000  -0.00024   0.00012  -0.00011  -3.10899
   D170      -3.13323   0.00000  -0.00010  -0.00005  -0.00015  -3.13337
   D171       0.03272   0.00000  -0.00028   0.00021  -0.00007   0.03265
   D172       0.93676   0.00001   0.00333  -0.00387  -0.00054   0.93622
   D173      -2.20335   0.00001   0.00285  -0.00381  -0.00096  -2.20431
   D174      -2.20483   0.00001   0.00337  -0.00396  -0.00058  -2.20541
   D175       0.93825   0.00001   0.00289  -0.00389  -0.00100   0.93724
   D176      -0.01600  -0.00000   0.00015   0.00005   0.00020  -0.01580
   D177      -3.11048  -0.00000  -0.00010   0.00008  -0.00003  -3.11051
   D178       3.10103   0.00000   0.00033  -0.00020   0.00013   3.10116
   D179       0.00655   0.00000   0.00008  -0.00018  -0.00010   0.00645
   D180      -0.01663   0.00000   0.00008   0.00007   0.00015  -0.01648
   D181       3.10151  -0.00000   0.00052  -0.00047   0.00006   3.10156
   D182      -3.11224   0.00000  -0.00032   0.00043   0.00011  -3.11213
   D183       0.00589   0.00000   0.00013  -0.00011   0.00002   0.00591
   D184       0.00743  -0.00000  -0.00012  -0.00007  -0.00019   0.00724
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   D193       0.94680  -0.00002   0.00508  -0.00770  -0.00262   0.94418
   D194       0.94456  -0.00002   0.00518  -0.00766  -0.00248   0.94208
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   D281       3.12702  -0.00000   0.00104  -0.00160  -0.00057   3.12646
   D282       3.12685   0.00000   0.00101  -0.00157  -0.00056   3.12630
   D283      -0.02710   0.00000   0.00212  -0.00331  -0.00119  -0.02830
   D284       0.00567   0.00000   0.00016  -0.00037  -0.00021   0.00546
   D285      -3.14094  -0.00000   0.00012  -0.00010   0.00002  -3.14091
   D286      -3.12214   0.00000  -0.00103   0.00152   0.00048  -3.12165
   D287       0.01444  -0.00000  -0.00106   0.00178   0.00072   0.01515
   D288       0.00182   0.00000   0.00005  -0.00011  -0.00005   0.00177
   D289       3.11333  -0.00000   0.00109  -0.00154  -0.00046   3.11288
   D290      -3.12948   0.00000  -0.00087   0.00135   0.00048  -3.12900
   D291      -0.01797  -0.00000   0.00017  -0.00009   0.00008  -0.01789
   D292      -3.12230   0.00000  -0.00105   0.00156   0.00051  -3.12179
   D293       0.01439  -0.00000  -0.00111   0.00171   0.00060   0.01499
   D294       0.00569   0.00000   0.00016  -0.00035  -0.00019   0.00550
   D295      -3.14080  -0.00000   0.00011  -0.00020  -0.00010  -3.14090
   D296       3.12187  -0.00000   0.00093  -0.00138  -0.00045   3.12141
   D297      -0.01303  -0.00000   0.00074  -0.00090  -0.00016  -0.01318
   D298       0.01714   0.00000  -0.00034   0.00039   0.00004   0.01718
   D299      -3.11775  -0.00000  -0.00053   0.00087   0.00034  -3.11741
   D300      -0.00178  -0.00000  -0.00009   0.00016   0.00007  -0.00171
   D301       3.12962  -0.00000   0.00081  -0.00120  -0.00040   3.12922
   D302      -3.11384   0.00000  -0.00113   0.00134   0.00020  -3.11364
   D303       0.01755   0.00000  -0.00023  -0.00003  -0.00026   0.01729
   D304      -3.12219   0.00000  -0.00089   0.00119   0.00031  -3.12188
   D305       0.01277   0.00000  -0.00062   0.00075   0.00014   0.01291
   D306      -0.01677   0.00000   0.00039  -0.00025   0.00014  -0.01663
   D307       3.11820   0.00000   0.00066  -0.00069  -0.00003   3.11817
   D308       0.00213   0.00000   0.00005  -0.00015  -0.00010   0.00203
   D309      -3.12724  -0.00000  -0.00112   0.00164   0.00052  -3.12672
   D310      -3.12721   0.00000  -0.00102   0.00148   0.00046  -3.12675
   D311       0.02660  -0.00000  -0.00220   0.00327   0.00108   0.02767
   D312      -0.00553  -0.00000  -0.00013   0.00038   0.00025  -0.00528
   D313       3.14083   0.00000  -0.00012   0.00017   0.00005   3.14088
   D314       3.12259  -0.00000   0.00105  -0.00142  -0.00037   3.12222
   D315      -0.01423   0.00000   0.00106  -0.00163  -0.00057  -0.01480
   D316      -0.00172  -0.00000   0.00000   0.00009   0.00009  -0.00163
   D317      -3.11385  -0.00000  -0.00114   0.00139   0.00025  -3.11360
   D318       3.12970  -0.00000   0.00098  -0.00141  -0.00042   3.12928
   D319       0.01757  -0.00000  -0.00017  -0.00010  -0.00027   0.01731
   D320       3.12261   0.00000   0.00111  -0.00154  -0.00042   3.12218
   D321      -0.01412   0.00000   0.00115  -0.00180  -0.00065  -0.01476
   D322      -0.00555  -0.00000  -0.00018   0.00043   0.00026  -0.00529
   D323       3.14091   0.00000  -0.00014   0.00017   0.00003   3.14095
   D324      -3.12226  -0.00000  -0.00105   0.00138   0.00032  -3.12193
   D325       0.01257   0.00000  -0.00085   0.00112   0.00027   0.01284
   D326      -0.01676   0.00000   0.00035  -0.00022   0.00013  -0.01663
   D327       3.11806   0.00000   0.00056  -0.00048   0.00008   3.11814
   D328       0.00689  -0.00000  -0.00023   0.00035   0.00012   0.00701
   D329      -3.14002   0.00000  -0.00003  -0.00009  -0.00012  -3.14013
   D330      -3.12980   0.00000  -0.00008  -0.00002  -0.00010  -3.12990
   D331       0.00648   0.00000   0.00011  -0.00045  -0.00034   0.00614
   D332      -0.00747  -0.00000   0.00005   0.00001   0.00007  -0.00740
   D333       3.13098  -0.00000  -0.00002   0.00005   0.00004   3.13101
   D334       3.13943  -0.00000  -0.00014   0.00045   0.00030   3.13973
   D335      -0.00531  -0.00000  -0.00021   0.00048   0.00027  -0.00504
   D336      -0.00483  -0.00000   0.00009  -0.00010  -0.00001  -0.00483
   D337       3.12979   0.00000   0.00031  -0.00036  -0.00006   3.12973
   D338       3.13990   0.00000   0.00017  -0.00014   0.00002   3.13993
   D339      -0.00867   0.00000   0.00038  -0.00040  -0.00003  -0.00870
   D340      -0.00478  -0.00000   0.00013  -0.00014  -0.00001  -0.00479
   D341       3.14045   0.00000   0.00015  -0.00016  -0.00001   3.14044
   D342       3.12891   0.00000   0.00033  -0.00044  -0.00011   3.12881
   D343      -0.00904   0.00000   0.00035  -0.00046  -0.00011  -0.00915
   D344      -0.00771   0.00000   0.00003   0.00002   0.00005  -0.00766
   D345       3.13966  -0.00000  -0.00018   0.00041   0.00023   3.13989
   D346       3.13023  -0.00000   0.00001   0.00004   0.00005   3.13028
   D347      -0.00558  -0.00000  -0.00020   0.00043   0.00023  -0.00535
   D348       0.00705  -0.00000  -0.00024   0.00037   0.00013   0.00718
   D349      -3.12935   0.00000  -0.00012  -0.00002  -0.00014  -3.12948
   D350      -3.14034   0.00000  -0.00003  -0.00002  -0.00005  -3.14039
   D351       0.00645   0.00000   0.00009  -0.00041  -0.00031   0.00613
   D352       0.00657  -0.00000  -0.00031   0.00050   0.00019   0.00677
   D353      -3.14011   0.00000  -0.00012   0.00003  -0.00010  -3.14021
   D354      -3.13011   0.00000  -0.00025   0.00035   0.00010  -3.13001
   D355       0.00639   0.00000  -0.00007  -0.00012  -0.00019   0.00620
   D356      -0.00726   0.00000   0.00012  -0.00019  -0.00007  -0.00734
   D357       3.13130  -0.00000   0.00010  -0.00020  -0.00010   3.13120
   D358       3.13941  -0.00000  -0.00006   0.00027   0.00021   3.13962
   D359      -0.00521  -0.00000  -0.00008   0.00027   0.00018  -0.00503
   D360      -0.00459  -0.00000   0.00020  -0.00025  -0.00005  -0.00463
   D361       3.13033   0.00000   0.00038  -0.00072  -0.00034   3.12999
   D362       3.14002   0.00000   0.00022  -0.00024  -0.00002   3.14000
   D363      -0.00825   0.00000   0.00040  -0.00072  -0.00031  -0.00856
   D364      -0.00460  -0.00000   0.00020  -0.00025  -0.00005  -0.00466
   D365       3.14058   0.00000   0.00015  -0.00024  -0.00009   3.14048
   D366       3.12933   0.00000   0.00048  -0.00061  -0.00013   3.12920
   D367      -0.00867   0.00000   0.00043  -0.00061  -0.00017  -0.00885
   D368      -0.00748  -0.00000   0.00015  -0.00019  -0.00005  -0.00752
   D369       3.13970  -0.00000  -0.00010   0.00029   0.00019   3.13988
   D370       3.13051  -0.00000   0.00020  -0.00020  -0.00000   3.13051
   D371      -0.00550  -0.00000  -0.00006   0.00029   0.00023  -0.00527
   D372       0.00680  -0.00000  -0.00033   0.00050   0.00018   0.00698
   D373      -3.12976   0.00000  -0.00030   0.00024  -0.00006  -3.12982
   D374      -3.14039   0.00000  -0.00007   0.00002  -0.00006  -3.14044
   D375       0.00623   0.00000  -0.00004  -0.00025  -0.00029   0.00594
   D376      -0.00647   0.00000   0.00032  -0.00044  -0.00012  -0.00659
   D377       3.14028  -0.00000   0.00009  -0.00003   0.00006   3.14033
   D378       3.13024   0.00000   0.00028  -0.00018   0.00010   3.13035
   D379      -0.00620  -0.00000   0.00005   0.00023   0.00028  -0.00592
   D380       0.00715  -0.00000  -0.00013   0.00011  -0.00002   0.00713
   D381      -3.13124  -0.00000  -0.00015   0.00009  -0.00005  -3.13129
   D382      -3.13958   0.00000   0.00011  -0.00030  -0.00019  -3.13978
   D383       0.00522   0.00000   0.00009  -0.00032  -0.00023   0.00499
   D384       0.00446   0.00000  -0.00021   0.00022   0.00001   0.00447
   D385      -3.13038  -0.00000  -0.00041   0.00047   0.00006  -3.13032
   D386      -3.14033  -0.00000  -0.00019   0.00024   0.00005  -3.14028
   D387       0.00801  -0.00000  -0.00039   0.00049   0.00010   0.00812
   D388       0.00449  -0.00000  -0.00020   0.00019  -0.00001   0.00448
   D389      -3.14016  -0.00000  -0.00021   0.00018  -0.00003  -3.14019
   D390      -3.13049  -0.00000  -0.00047   0.00062   0.00016  -3.13034
   D391       0.00804  -0.00000  -0.00048   0.00062   0.00014   0.00818
   D392       0.00711  -0.00000  -0.00016   0.00017   0.00001   0.00712
   D393      -3.13950   0.00000   0.00007  -0.00030  -0.00023  -3.13974
   D394      -3.13141   0.00000  -0.00015   0.00018   0.00002  -3.13138
   D395       0.00516   0.00000   0.00008  -0.00029  -0.00022   0.00495
   D396      -0.00646   0.00000   0.00033  -0.00045  -0.00013  -0.00658
   D397       3.13036  -0.00000   0.00031  -0.00024   0.00008   3.13043
   D398       3.14017  -0.00000   0.00010   0.00002   0.00011   3.14029
   D399      -0.00620  -0.00000   0.00008   0.00023   0.00032  -0.00588
   D400       1.63751   0.00005   0.00177  -0.01901  -0.01734   1.62017
   D401      -0.62760   0.00004   0.00349  -0.01892  -0.01552  -0.64312
   D402      -2.85142   0.00002   0.00523  -0.01781  -0.01263  -2.86405
   D403      -3.08922  -0.00002  -0.00003  -0.00427  -0.00425  -3.09347
   D404      -0.91593  -0.00001   0.00067  -0.00334  -0.00268  -0.91862
   D405       1.30780   0.00001  -0.00330  -0.00413  -0.00747   1.30034
   D406       2.69966   0.00003   0.00281   0.02316   0.02586   2.72552
   D407      -1.47251   0.00002   0.00160   0.02305   0.02451  -1.44801
   D408       0.57316   0.00004   0.00347   0.02398   0.02733   0.60049
   D409       3.00780  -0.00001   0.00339  -0.00001   0.00339   3.01119
   D410      -1.16567  -0.00001   0.00332   0.00013   0.00345  -1.16221
   D411       0.89155  -0.00001   0.00335   0.00018   0.00353   0.89508
   D412       3.11201   0.00001   0.00017   0.00158   0.00176   3.11378
   D413      -1.08500   0.00001   0.00042   0.00162   0.00205  -1.08295
   D414       1.02670  -0.00000  -0.00027   0.00152   0.00126   1.02796
   D415       1.05107   0.00001  -0.00018   0.00046   0.00029   1.05136
   D416       3.13724   0.00001   0.00006   0.00050   0.00058   3.13782
   D417      -1.03424  -0.00001  -0.00063   0.00040  -0.00021  -1.03445
   D418      -1.08595  -0.00001   0.00001   0.00157   0.00155  -1.08440
   D419       1.00022  -0.00000   0.00026   0.00161   0.00184   1.00206
   D420       3.11192  -0.00002  -0.00044   0.00151   0.00105   3.11297
   D421       1.30988  -0.00007  -0.01208   0.00110  -0.01108   1.29880
   D422      -2.91256   0.00000  -0.01167   0.00148  -0.01026  -2.92282
   D423      -0.73738  -0.00003  -0.01301  -0.00008  -0.01314  -0.75052
   D424      -1.39879   0.00005   0.00858  -0.00388   0.00471  -1.39408
   D425       2.80965  -0.00001   0.00822  -0.00360   0.00458   2.81424
   D426       0.63718   0.00001   0.01006  -0.00217   0.00789   0.64507
   D427       1.04839  -0.00000  -0.00016   0.00052   0.00035   1.04875
   D428       3.13807  -0.00000  -0.00009   0.00059   0.00050   3.13857
   D429      -1.05683  -0.00000  -0.00000   0.00051   0.00051  -1.05632
   D430      -1.02567  -0.00000  -0.00032   0.00050   0.00018  -1.02549
   D431       1.06401  -0.00000  -0.00025   0.00058   0.00033   1.06433
   D432      -3.13089  -0.00000  -0.00016   0.00050   0.00034  -3.13056
   D433       3.12828   0.00000  -0.00002   0.00037   0.00035   3.12862
   D434      -1.06524   0.00000   0.00005   0.00044   0.00049  -1.06474
   D435       1.02305   0.00001   0.00014   0.00036   0.00051   1.02356
   D436      -1.34969   0.00002   0.00591  -0.02057  -0.01474  -1.36444
   D437      -1.25562   0.00001   0.00717  -0.01349  -0.00629  -1.26190
   D438       0.40895   0.00000   0.00547  -0.00024   0.00525   0.41420
   D439       1.10877  -0.00004  -0.00213  -0.02350  -0.02579   1.08298
   D440       0.92470   0.00006  -0.00212  -0.01586  -0.01797   0.90673
   D441      -0.38854   0.00001  -0.00525   0.00085  -0.00441  -0.39295
         Item               Value     Threshold  Converged?
 Maximum Force            0.000922     0.000450     NO 
 RMS     Force            0.000063     0.000300     YES
 Maximum Displacement     0.183025     0.001800     NO 
 RMS     Displacement     0.044037     0.001200     NO 
 Predicted change in Energy=-6.363336D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.835082    2.898477    0.556630
      2          6           0       -2.067119    1.523059    0.687553
      3          6           0       -1.018528    0.596180    0.727303
      4          6           0        0.308038    1.072364    0.674448
      5          6           0        0.549410    2.442241    0.512133
      6          6           0       -0.503404    3.342536    0.450422
      7          6           0       -1.236045   -0.864494    0.713590
      8          6           0       -0.168620   -1.742716    1.027491
      9          6           0        1.120953   -1.156681    1.538519
     10          6           0        1.434278    0.137686    0.830124
     11          6           0       -2.438851   -1.403244    0.243340
     12          6           0       -2.616649   -2.777703    0.038966
     13          6           0       -1.516890   -3.616943    0.265305
     14          6           0       -0.316458   -3.103688    0.740299
     15          7           0        2.230686   -2.047652    1.694022
     16          6           0        3.524864   -1.637971    1.251559
     17          6           0        3.672652   -0.375751    0.633349
     18          7           0        2.608824    0.490928    0.441106
     19          6           0        4.664991   -2.450415    1.352092
     20          6           0        5.896598   -2.012427    0.881001
     21          6           0        6.062456   -0.753181    0.276796
     22          6           0        4.924232    0.043469    0.161128
     23          6           0       -2.963146    3.860406    0.530854
     24          6           0       -3.910203   -3.312607   -0.449119
     25          6           0        7.382967   -0.297713   -0.219474
     26          6           0       -3.960546   -4.378555   -1.363218
     27          6           0       -5.174218   -4.875130   -1.828078
     28          6           0       -6.380862   -4.327817   -1.373128
     29          6           0       -6.347617   -3.271251   -0.454022
     30          6           0       -5.128827   -2.768683   -0.009071
     31          6           0       -2.854916    5.119820    1.145275
     32          6           0       -3.912905    6.023315    1.134346
     33          6           0       -5.111406    5.697730    0.486625
     34          6           0       -5.231779    4.450723   -0.139858
     35          6           0       -4.175012    3.546356   -0.107838
     36          6           0        8.296890   -1.199876   -0.789921
     37          6           0        9.533742   -0.774085   -1.264645
     38          6           0        9.900465    0.573880   -1.166141
     39          6           0        9.004042    1.484695   -0.592964
     40          6           0        7.763146    1.052554   -0.135448
     41          7           0       -6.189420    6.619098    0.464330
     42          7           0       -7.620113   -4.837140   -1.837403
     43          7           0       11.164016    1.011118   -1.640895
     44          6           0       -8.021716   -6.178819   -1.798619
     45          6           0       -9.321651   -6.286584   -2.354856
     46          6           0       -9.722431   -4.952102   -2.749047
     47          6           0       -8.651670   -4.084773   -2.414393
     48          6           0       -7.501378    6.356092    0.879085
     49          6           0       -8.283876    7.525189    0.700624
     50          6           0       -7.406886    8.538367    0.151845
     51          6           0       -6.124946    7.946355    0.020888
     52          6           0       11.381099    2.041688   -2.564202
     53          6           0       12.775630    2.178113   -2.782900
     54          6           0       13.429908    1.187815   -1.953464
     55          6           0       12.407021    0.486664   -1.265358
     56          6           0      -10.869291   -4.429856   -3.358025
     57          6           0      -10.932127   -3.066442   -3.629039
     58          6           0       -9.855890   -2.223416   -3.304340
     59          6           0       -8.703095   -2.717101   -2.697592
     60          6           0       -7.352775   -7.292264   -1.282703
     61          6           0       -7.997691   -8.525233   -1.351198
     62          6           0       -9.279374   -8.652241   -1.912948
     63          6           0       -9.946677   -7.537571   -2.411507
     64          6           0       -7.597202    9.867049   -0.244714
     65          6           0       -6.522081   10.579494   -0.767123
     66          6           0       -5.261992    9.972831   -0.903687
     67          6           0       -5.045023    8.652318   -0.516459
     68          6           0       -8.042755    5.190874    1.429169
     69          6           0       -9.390758    5.205473    1.780487
     70          6           0      -10.184188    6.350531    1.596463
     71          6           0       -9.636018    7.512436    1.061829
     72          6           0       14.769391    0.849826   -1.728749
     73          6           0       15.070438   -0.166342   -0.826962
     74          6           0       14.045101   -0.841199   -0.142926
     75          6           0       12.703905   -0.525232   -0.348095
     76          6           0       10.452994    2.834857   -3.244598
     77          6           0       10.943714    3.785494   -4.136854
     78          6           0       12.322921    3.943771   -4.354834
     79          6           0       13.241620    3.141654   -3.684835
     80          8           0        0.756376   -3.513474    3.475047
     81         15           0        2.089753   -3.345782    2.869769
     82          8           0        3.310550   -3.143401    3.889978
     83          8           0        2.625685   -4.568468    1.967983
     84          6           0        3.149367   -2.370271    5.120220
     85          6           0        4.205433   -2.840931    6.099455
     86          6           0        2.623667   -5.905590    2.549845
     87          6           0        2.990284   -6.887106    1.455124
     88          1           0       -3.088475    1.176886    0.799132
     89          1           0        1.577260    2.780872    0.449652
     90          1           0       -0.298711    4.399431    0.312632
     91          1           0       -3.238867   -0.731551   -0.045170
     92          1           0       -1.603110   -4.683987    0.088337
     93          1           0        0.516210   -3.781068    0.861449
     94          1           0        4.604228   -3.431433    1.795847
     95          1           0        6.755619   -2.664049    1.006325
     96          1           0        4.957460    1.012206   -0.325332
     97          1           0       -3.036370   -4.797928   -1.748437
     98          1           0       -5.193776   -5.673825   -2.561876
     99          1           0       -7.278868   -2.863854   -0.075153
    100          1           0       -5.122173   -1.969200    0.725319
    101          1           0       -1.944176    5.378968    1.675960
    102          1           0       -3.824298    6.975990    1.645578
    103          1           0       -6.146721    4.205476   -0.668595
    104          1           0       -4.277187    2.596693   -0.623739
    105          1           0        8.020393   -2.243702   -0.901972
    106          1           0       10.212347   -1.478699   -1.733664
    107          1           0        9.293696    2.525007   -0.489134
    108          1           0        7.092811    1.768529    0.329766
    109          1           0      -11.697240   -5.082743   -3.619160
    110          1           0      -11.816752   -2.649020   -4.099843
    111          1           0       -9.919710   -1.163597   -3.532697
    112          1           0       -7.873208   -2.060887   -2.460613
    113          1           0       -6.368645   -7.201928   -0.836802
    114          1           0       -7.497229   -9.405114   -0.957725
    115          1           0       -9.753116   -9.628215   -1.952180
    116          1           0      -10.942072   -7.634636   -2.835446
    117          1           0       -8.573662   10.333340   -0.149402
    118          1           0       -6.656671   11.611151   -1.077081
    119          1           0       -4.437470   10.542180   -1.322582
    120          1           0       -4.072005    8.189039   -0.635417
    121          1           0       -7.435381    4.306416    1.585322
    122          1           0       -9.834208    4.311419    2.208828
    123          1           0      -11.231966    6.327674    1.879540
    124          1           0      -10.247311    8.400648    0.929987
    125          1           0       15.563084    1.378077   -2.249330
    126          1           0       16.105509   -0.438467   -0.645005
    127          1           0       14.300592   -1.624961    0.564173
    128          1           0       11.919475   -1.043884    0.191624
    129          1           0        9.386776    2.712517   -3.090268
    130          1           0       10.241916    4.414649   -4.676401
    131          1           0       12.671867    4.695541   -5.055972
    132          1           0       14.307125    3.257628   -3.861625
    133          1           0        3.268841   -1.313958    4.866943
    134          1           0        2.136391   -2.524297    5.498594
    135          1           0        4.129669   -2.259933    7.023972
    136          1           0        4.069495   -3.897982    6.345161
    137          1           0        5.209671   -2.704027    5.688734
    138          1           0        3.349979   -5.926308    3.369013
    139          1           0        1.628521   -6.105251    2.958038
    140          1           0        3.981000   -6.667589    1.047904
    141          1           0        3.000819   -7.903514    1.860850
    142          1           0        2.263856   -6.848486    0.638952
    143         17           0        0.729985   -0.360678    3.402170
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177732           0.0074043           0.0058217
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13524.1047078110 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.75D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    0.999996    0.001599    0.000094   -0.002138 Ang=   0.31 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.68068529     A.U. after   12 cycles
            NFock= 12  Conv=0.25D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000112904   -0.000110332    0.000007553
      2        6          -0.000043827    0.000034074    0.000066275
      3        6           0.000060520    0.000015561   -0.000025056
      4        6          -0.000128292   -0.000092160   -0.000087686
      5        6          -0.000004151    0.000073063    0.000076716
      6        6           0.000004995   -0.000003065   -0.000023508
      7        6           0.000066524    0.000014178   -0.000038953
      8        6           0.000217098    0.000315367    0.000049546
      9        6          -0.000262432   -0.000079172   -0.000105417
     10        6           0.000025023   -0.000269273    0.000007778
     11        6           0.000019022   -0.000018020    0.000018348
     12        6          -0.000168430   -0.000024955   -0.000050814
     13        6           0.000117336    0.000024816   -0.000008019
     14        6          -0.000056812   -0.000136462    0.000059277
     15        7          -0.000162208    0.000108864    0.000044769
     16        6          -0.000116077   -0.000004506    0.000052588
     17        6          -0.000187434    0.000029033   -0.000002042
     18        7           0.000242532    0.000026149    0.000053350
     19        6           0.000101734    0.000015767   -0.000042312
     20        6          -0.000022011   -0.000032264    0.000028381
     21        6          -0.000033484    0.000032436   -0.000028368
     22        6           0.000073319   -0.000007017   -0.000005706
     23        6          -0.000169627    0.000072391   -0.000011114
     24        6           0.000082855    0.000071282    0.000048057
     25        6           0.000015470    0.000028951    0.000010595
     26        6          -0.000020130   -0.000057775   -0.000051691
     27        6           0.000048139    0.000044350   -0.000010318
     28        6           0.000048783    0.000057516    0.000034964
     29        6           0.000020731   -0.000010952    0.000023409
     30        6          -0.000048513   -0.000007816   -0.000000881
     31        6           0.000035442   -0.000018389    0.000004245
     32        6           0.000013123    0.000002810   -0.000005983
     33        6           0.000028299   -0.000014122   -0.000004304
     34        6          -0.000000175   -0.000009210    0.000006050
     35        6           0.000041108    0.000001900    0.000002639
     36        6           0.000016135    0.000000854   -0.000027715
     37        6          -0.000018756   -0.000037033    0.000006571
     38        6          -0.000047104   -0.000016240    0.000020298
     39        6          -0.000009608   -0.000010152   -0.000004505
     40        6           0.000002454    0.000013973    0.000016895
     41        7           0.000033864   -0.000019883   -0.000003467
     42        7          -0.000022946   -0.000003073    0.000003049
     43        7          -0.000013757   -0.000004407   -0.000000457
     44        6          -0.000017899   -0.000090120    0.000014120
     45        6          -0.000037896    0.000029962    0.000075733
     46        6           0.000064652   -0.000005893   -0.000069381
     47        6          -0.000053022    0.000019459   -0.000056829
     48        6          -0.000088426   -0.000034130    0.000011448
     49        6           0.000031414    0.000018571    0.000045770
     50        6           0.000010100   -0.000034536   -0.000040127
     51        6          -0.000024240    0.000085161   -0.000006851
     52        6           0.000003606    0.000064185   -0.000038435
     53        6           0.000005780   -0.000052590   -0.000028419
     54        6          -0.000036839    0.000035881    0.000042956
     55        6           0.000081833    0.000000942    0.000013982
     56        6          -0.000017384   -0.000031366    0.000050366
     57        6           0.000024721    0.000042617   -0.000007464
     58        6          -0.000023355   -0.000005838   -0.000000800
     59        6           0.000017017   -0.000013981    0.000007851
     60        6          -0.000012433    0.000023069    0.000006691
     61        6          -0.000006435   -0.000018524   -0.000012971
     62        6           0.000035003    0.000002286    0.000036623
     63        6           0.000000456    0.000015401   -0.000057583
     64        6          -0.000018138   -0.000004384    0.000034948
     65        6           0.000042519   -0.000004886   -0.000021523
     66        6          -0.000011672    0.000020645    0.000007411
     67        6          -0.000004464   -0.000025444   -0.000008262
     68        6           0.000015146    0.000017621   -0.000001055
     69        6          -0.000025397   -0.000003453   -0.000004914
     70        6           0.000033189   -0.000031542    0.000025657
     71        6          -0.000005575    0.000016086   -0.000047074
     72        6           0.000002741   -0.000004015   -0.000047086
     73        6          -0.000020999   -0.000025650    0.000035870
     74        6           0.000020166   -0.000002726   -0.000007991
     75        6          -0.000012119    0.000009673   -0.000003237
     76        6           0.000009475   -0.000019774    0.000003577
     77        6           0.000006470    0.000021177   -0.000004992
     78        6          -0.000041840   -0.000022466   -0.000015704
     79        6           0.000016881    0.000017267    0.000037893
     80        8          -0.000023362   -0.000007017    0.000004393
     81       15           0.000001445    0.000062564   -0.000135426
     82        8           0.000165890   -0.000113638   -0.000080390
     83        8          -0.000001087   -0.000056070    0.000059682
     84        6          -0.000010276    0.000077731    0.000154915
     85        6          -0.000010878    0.000019461    0.000002375
     86        6          -0.000014598    0.000007980   -0.000038875
     87        6          -0.000018100   -0.000007044    0.000011082
     88        1          -0.000001520   -0.000013069   -0.000037303
     89        1          -0.000005811   -0.000001472   -0.000033975
     90        1           0.000003859    0.000006456    0.000021212
     91        1           0.000005909    0.000017756   -0.000022955
     92        1          -0.000004953   -0.000012098    0.000039930
     93        1          -0.000016771   -0.000002760   -0.000037479
     94        1           0.000010820    0.000020015   -0.000040260
     95        1           0.000002494   -0.000006169    0.000004489
     96        1          -0.000012168    0.000001701   -0.000005590
     97        1          -0.000000849    0.000001416    0.000017644
     98        1          -0.000017718   -0.000015907   -0.000009676
     99        1          -0.000018499   -0.000009774   -0.000006016
    100        1           0.000007790    0.000004568   -0.000004729
    101        1          -0.000000723    0.000000595    0.000001546
    102        1          -0.000015074    0.000006207    0.000007704
    103        1          -0.000014392    0.000001380   -0.000003611
    104        1          -0.000000112   -0.000004795    0.000004865
    105        1          -0.000004935   -0.000003082    0.000010163
    106        1           0.000015626    0.000008560   -0.000005333
    107        1           0.000012287    0.000011827   -0.000001246
    108        1          -0.000005537   -0.000006908   -0.000005508
    109        1          -0.000001906    0.000009427   -0.000015108
    110        1          -0.000009924   -0.000010889    0.000010661
    111        1           0.000002736   -0.000000563   -0.000004915
    112        1           0.000016757    0.000001599    0.000005192
    113        1           0.000009262    0.000014826   -0.000000264
    114        1          -0.000003230   -0.000000129    0.000004253
    115        1          -0.000003994   -0.000000124   -0.000015369
    116        1          -0.000000195   -0.000011585    0.000012762
    117        1           0.000002596    0.000010267   -0.000011277
    118        1          -0.000009446    0.000002137    0.000012045
    119        1          -0.000004064   -0.000001429   -0.000007218
    120        1           0.000007706   -0.000007955    0.000010906
    121        1           0.000014661    0.000003793   -0.000006736
    122        1          -0.000002421    0.000003502    0.000005534
    123        1          -0.000008116    0.000005001   -0.000014522
    124        1          -0.000005731   -0.000007295    0.000017041
    125        1           0.000007817    0.000000631    0.000015313
    126        1           0.000005250    0.000002426   -0.000014858
    127        1           0.000000829    0.000005699    0.000003891
    128        1          -0.000014106   -0.000006724   -0.000006188
    129        1          -0.000002729   -0.000007304    0.000012898
    130        1           0.000003482   -0.000002161   -0.000005324
    131        1           0.000009599    0.000009402    0.000010555
    132        1          -0.000004943    0.000002165   -0.000017933
    133        1          -0.000123205    0.000016951   -0.000003498
    134        1          -0.000036590   -0.000006934    0.000025746
    135        1           0.000029059   -0.000003042    0.000024461
    136        1          -0.000016589    0.000006908   -0.000015140
    137        1          -0.000003067    0.000003181   -0.000001873
    138        1           0.000009526   -0.000000520   -0.000003056
    139        1           0.000001143    0.000000386    0.000010921
    140        1           0.000002283    0.000002107   -0.000002972
    141        1           0.000005559   -0.000000011   -0.000001998
    142        1           0.000002918   -0.000005643   -0.000003375
    143       17           0.000235641   -0.000022249    0.000024588
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000315367 RMS     0.000049438

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000236705 RMS     0.000023694
 Search for a local minimum.
 Step number  27 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   20   21   22   23   24
                                                     25   26   27
 DE= -7.15D-05 DEPred=-6.36D-05 R= 1.12D+00
 TightC=F SS=  1.41D+00  RLast= 2.07D-01 DXNew= 1.0091D+00 6.2170D-01
 Trust test= 1.12D+00 RLast= 2.07D-01 DXMaxT set to 6.22D-01
 ITU=  1 -1  1  1  1  1  1  1 -1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  0  0  1  0
     Eigenvalues ---    0.00121   0.00308   0.00418   0.00420   0.00630
     Eigenvalues ---    0.00802   0.01084   0.01600   0.01671   0.02171
     Eigenvalues ---    0.02315   0.02558   0.02611   0.02627   0.02677
     Eigenvalues ---    0.02704   0.02708   0.02712   0.02714   0.02723
     Eigenvalues ---    0.02725   0.02729   0.02732   0.02736   0.02743
     Eigenvalues ---    0.02752   0.02767   0.02771   0.02773   0.02774
     Eigenvalues ---    0.02776   0.02780   0.02785   0.02786   0.02786
     Eigenvalues ---    0.02789   0.02791   0.02791   0.02792   0.02792
     Eigenvalues ---    0.02792   0.02793   0.02794   0.02795   0.02797
     Eigenvalues ---    0.02802   0.02802   0.02802   0.02804   0.02805
     Eigenvalues ---    0.02806   0.02807   0.02808   0.02808   0.02809
     Eigenvalues ---    0.02811   0.02812   0.02814   0.02816   0.02817
     Eigenvalues ---    0.02818   0.02818   0.02818   0.02819   0.02819
     Eigenvalues ---    0.02822   0.02829   0.02838   0.02843   0.02844
     Eigenvalues ---    0.02845   0.02845   0.02846   0.02847   0.02850
     Eigenvalues ---    0.02850   0.02854   0.02865   0.02868   0.02868
     Eigenvalues ---    0.02869   0.02870   0.02872   0.02873   0.02875
     Eigenvalues ---    0.02876   0.02877   0.02878   0.02878   0.02879
     Eigenvalues ---    0.02882   0.02883   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02886   0.02886   0.02887
     Eigenvalues ---    0.02892   0.02893   0.02896   0.02897   0.02897
     Eigenvalues ---    0.02898   0.02899   0.02899   0.02900   0.02902
     Eigenvalues ---    0.02908   0.02910   0.02911   0.02941   0.02942
     Eigenvalues ---    0.02951   0.02970   0.03024   0.03025   0.03026
     Eigenvalues ---    0.03116   0.03133   0.03133   0.03134   0.03147
     Eigenvalues ---    0.03158   0.03183   0.03258   0.03419   0.03573
     Eigenvalues ---    0.03986   0.04650   0.04739   0.05378   0.05561
     Eigenvalues ---    0.05579   0.05613   0.05727   0.05745   0.05773
     Eigenvalues ---    0.07522   0.08898   0.09457   0.10491   0.11017
     Eigenvalues ---    0.11429   0.11614   0.12621   0.13660   0.15186
     Eigenvalues ---    0.15610   0.15797   0.15916   0.15929   0.15959
     Eigenvalues ---    0.15973   0.15984   0.15986   0.15986   0.15987
     Eigenvalues ---    0.15988   0.15993   0.15995   0.15996   0.15996
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16002   0.16004
     Eigenvalues ---    0.16006   0.16011   0.16023   0.16080   0.16100
     Eigenvalues ---    0.16143   0.16751   0.17338   0.18739   0.19909
     Eigenvalues ---    0.20915   0.21992   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22002   0.22003
     Eigenvalues ---    0.22024   0.22372   0.22419   0.22507   0.22600
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22603   0.22695
     Eigenvalues ---    0.22954   0.22968   0.22990   0.23133   0.23243
     Eigenvalues ---    0.23454   0.23509   0.23723   0.23971   0.24000
     Eigenvalues ---    0.24196   0.24464   0.24486   0.24488   0.24490
     Eigenvalues ---    0.24524   0.24533   0.24759   0.24891   0.24981
     Eigenvalues ---    0.24984   0.24984   0.24985   0.24986   0.24986
     Eigenvalues ---    0.24992   0.24996   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25001   0.25002   0.25004   0.25016   0.25027
     Eigenvalues ---    0.25088   0.25110   0.25448   0.26411   0.27951
     Eigenvalues ---    0.28389   0.29217   0.29782   0.29788   0.30517
     Eigenvalues ---    0.32016   0.32098   0.32128   0.32141   0.32148
     Eigenvalues ---    0.32163   0.32179   0.32221   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33295   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33459   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33633   0.33638
     Eigenvalues ---    0.33641   0.33643   0.33647   0.33664   0.33702
     Eigenvalues ---    0.33722   0.33742   0.33820   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33897   0.33922   0.33941
     Eigenvalues ---    0.33947   0.33955   0.33960   0.34440   0.34507
     Eigenvalues ---    0.34822   0.34920   0.35055   0.38652   0.41225
     Eigenvalues ---    0.41733   0.43143   0.44429   0.44435   0.44439
     Eigenvalues ---    0.44452   0.45511   0.46732   0.48738   0.48940
     Eigenvalues ---    0.48974   0.49086   0.49267   0.49507   0.49796
     Eigenvalues ---    0.49804   0.49823   0.49849   0.49916   0.49949
     Eigenvalues ---    0.50032   0.50162   0.50397   0.50408   0.50607
     Eigenvalues ---    0.50610   0.50616   0.50634   0.51453   0.51640
     Eigenvalues ---    0.51998   0.52379   0.52529   0.52805   0.53375
     Eigenvalues ---    0.54058   0.54112   0.54199   0.54201   0.54206
     Eigenvalues ---    0.54272   0.54406   0.54930   0.55126   0.55290
     Eigenvalues ---    0.55323   0.55342   0.55356   0.55386   0.55417
     Eigenvalues ---    0.55425   0.55481   0.55565   0.55639   0.55668
     Eigenvalues ---    0.55703   0.55706   0.55761   0.55939   0.55948
     Eigenvalues ---    0.56065   0.56147   0.56153   0.56154   0.56223
     Eigenvalues ---    0.56270   0.56307   0.56380   0.56662   0.56663
     Eigenvalues ---    0.56666   0.56670   0.56673   0.56682   0.56837
     Eigenvalues ---    0.56901   0.56914   0.56977   0.57127   0.57174
     Eigenvalues ---    0.57179   0.57191   0.57195   0.57210   0.57620
     Eigenvalues ---    0.61774   0.61972   0.65968   0.66055   0.67649
     Eigenvalues ---    0.67657   0.67661   0.68808   0.69913   0.70077
     Eigenvalues ---    0.72119   0.75075   0.80056
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    27   26   25   24   23   22   21   20   19   18
 RFO step:  Lambda=-4.34786131D-06.
 DIIS inversion failure, remove point  10.
 RFO-DIIS uses    9 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    0.88402    0.71363    0.50661   -1.84188    0.08218
                  RFO-DIIS coefs:    0.85815   -0.19199   -0.08911    0.07839    0.00000
 Iteration  1 RMS(Cart)=  0.00838708 RMS(Int)=  0.00003329
 Iteration  2 RMS(Cart)=  0.00003567 RMS(Int)=  0.00003225
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00003225
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64748  -0.00005  -0.00014  -0.00009  -0.00023   2.64725
    R2        2.66031   0.00001   0.00005   0.00004   0.00008   2.66039
    R3        2.80196   0.00011   0.00013   0.00017   0.00030   2.80226
    R4        2.64577   0.00001   0.00004   0.00008   0.00012   2.64589
    R5        2.04881   0.00001  -0.00000   0.00000   0.00000   2.04881
    R6        2.66533  -0.00011  -0.00019  -0.00015  -0.00031   2.66503
    R7        2.79083  -0.00008  -0.00045  -0.00011  -0.00052   2.79031
    R8        2.64641   0.00005   0.00020  -0.00000   0.00020   2.64661
    R9        2.78135   0.00007  -0.00009   0.00007  -0.00003   2.78132
   R10        2.62036  -0.00001  -0.00011  -0.00000  -0.00012   2.62024
   R11        2.04846  -0.00001  -0.00001  -0.00004  -0.00005   2.04841
   R12        2.05095   0.00001   0.00004  -0.00003   0.00001   2.05096
   R13        2.67862  -0.00003   0.00005   0.00007   0.00012   2.67874
   R14        2.64435  -0.00000   0.00002  -0.00001   0.00001   2.64436
   R15        2.84564  -0.00024  -0.00305  -0.00014  -0.00322   2.84242
   R16        2.64331   0.00010   0.00067   0.00010   0.00077   2.64408
   R17        2.85053  -0.00013  -0.00256  -0.00005  -0.00271   2.84783
   R18        2.70536  -0.00005  -0.00267  -0.00024  -0.00298   2.70238
   R19        3.90020   0.00003   0.02277  -0.00041   0.02234   3.92254
   R20        2.43157   0.00008   0.00078   0.00002   0.00078   2.43235
   R21        2.64732  -0.00002   0.00000  -0.00011  -0.00010   2.64722
   R22        2.04792   0.00001   0.00000   0.00001   0.00001   2.04793
   R23        2.64901   0.00007   0.00038   0.00006   0.00043   2.64944
   R24        2.80141  -0.00008  -0.00050   0.00009  -0.00041   2.80099
   R25        2.62535  -0.00004  -0.00038  -0.00006  -0.00044   2.62491
   R26        2.05045   0.00000   0.00002  -0.00004  -0.00002   2.05043
   R27        2.04130  -0.00002   0.00004  -0.00011  -0.00008   2.04123
   R28        2.69808   0.00001  -0.00005  -0.00018  -0.00021   2.69788
   R29        3.32043   0.00002   0.00187  -0.00006   0.00181   3.32223
   R30        5.35021  -0.00007   0.01029  -0.00058   0.00974   5.35995
   R31        2.67062  -0.00001   0.00018  -0.00006   0.00019   2.67081
   R32        2.65240   0.00009   0.00014   0.00007   0.00021   2.65261
   R33        2.61836  -0.00020  -0.00048  -0.00033  -0.00076   2.61759
   R34        2.64912   0.00004   0.00018   0.00013   0.00031   2.64943
   R35        2.62571  -0.00003  -0.00020  -0.00005  -0.00025   2.62546
   R36        2.03793  -0.00003   0.00003  -0.00005  -0.00002   2.03792
   R37        2.65792   0.00001   0.00026   0.00004   0.00029   2.65821
   R38        2.05123   0.00001   0.00001  -0.00001   0.00001   2.05124
   R39        2.63451  -0.00005  -0.00015  -0.00011  -0.00026   2.63426
   R40        2.80131   0.00001  -0.00010   0.00009  -0.00001   2.80130
   R41        2.04946   0.00001   0.00005  -0.00005   0.00000   2.04946
   R42        2.65596  -0.00002  -0.00004  -0.00003  -0.00006   2.65589
   R43        2.65584  -0.00003  -0.00006  -0.00004  -0.00010   2.65574
   R44        2.65529   0.00004   0.00017   0.00001   0.00018   2.65547
   R45        2.65541   0.00003   0.00016  -0.00001   0.00015   2.65556
   R46        2.65543   0.00001   0.00003  -0.00001   0.00002   2.65545
   R47        2.65560   0.00000   0.00002  -0.00003  -0.00001   2.65559
   R48        2.62915  -0.00004  -0.00014   0.00001  -0.00013   2.62902
   R49        2.05135  -0.00001   0.00001  -0.00005  -0.00004   2.05131
   R50        2.64732   0.00001   0.00003  -0.00002   0.00001   2.64733
   R51        2.04994   0.00001   0.00003   0.00001   0.00004   2.04999
   R52        2.64710  -0.00001  -0.00002  -0.00003  -0.00005   2.64705
   R53        2.67962   0.00005   0.00013   0.00000   0.00013   2.67975
   R54        2.62937  -0.00002  -0.00008   0.00001  -0.00007   2.62930
   R55        2.04993   0.00001   0.00004   0.00000   0.00004   2.04997
   R56        2.05150  -0.00000   0.00002  -0.00005  -0.00003   2.05148
   R57        2.62921  -0.00000  -0.00000   0.00000   0.00000   2.62921
   R58        2.05123   0.00000   0.00001  -0.00003  -0.00001   2.05122
   R59        2.64694   0.00000   0.00002  -0.00000   0.00002   2.64695
   R60        2.04998   0.00001   0.00003   0.00001   0.00003   2.05001
   R61        2.64696   0.00000   0.00003  -0.00001   0.00001   2.64698
   R62        2.68017   0.00002   0.00002   0.00001   0.00003   2.68020
   R63        2.62914   0.00000  -0.00001   0.00002   0.00001   2.62915
   R64        2.05001   0.00001   0.00003  -0.00000   0.00003   2.05004
   R65        2.05142   0.00000   0.00004  -0.00004   0.00000   2.05142
   R66        2.62968  -0.00002  -0.00007  -0.00000  -0.00007   2.62961
   R67        2.05153   0.00000   0.00001  -0.00001   0.00000   2.05153
   R68        2.64643   0.00001   0.00004   0.00001   0.00006   2.64648
   R69        2.05013   0.00001   0.00003  -0.00001   0.00002   2.05014
   R70        2.64676  -0.00000   0.00001  -0.00001   0.00000   2.64676
   R71        2.68123   0.00004   0.00004   0.00001   0.00004   2.68128
   R72        2.62929  -0.00001  -0.00003   0.00001  -0.00002   2.62927
   R73        2.05010   0.00001   0.00002   0.00000   0.00003   2.05012
   R74        2.05137  -0.00000   0.00002  -0.00003  -0.00001   2.05136
   R75        2.64725   0.00004   0.00009   0.00003   0.00012   2.64737
   R76        2.64724   0.00004   0.00008   0.00003   0.00011   2.64735
   R77        2.64757   0.00003   0.00006   0.00000   0.00006   2.64763
   R78        2.64770   0.00001   0.00002   0.00001   0.00003   2.64773
   R79        2.64676   0.00002   0.00009   0.00002   0.00011   2.64687
   R80        2.64639   0.00003   0.00007   0.00005   0.00013   2.64651
   R81        2.67971  -0.00001  -0.00003  -0.00001  -0.00004   2.67967
   R82        2.64117  -0.00002  -0.00007  -0.00002  -0.00009   2.64107
   R83        2.73642   0.00001   0.00004  -0.00002   0.00002   2.73645
   R84        2.64483   0.00001   0.00003  -0.00001   0.00001   2.64484
   R85        2.67967  -0.00001  -0.00005   0.00001  -0.00004   2.67963
   R86        2.64486   0.00000   0.00002  -0.00001   0.00001   2.64487
   R87        2.64114  -0.00002  -0.00009  -0.00000  -0.00009   2.64105
   R88        2.67978  -0.00001  -0.00006   0.00001  -0.00005   2.67972
   R89        2.64117  -0.00002  -0.00009   0.00002  -0.00007   2.64110
   R90        2.73639   0.00001   0.00008  -0.00004   0.00004   2.73642
   R91        2.64489   0.00001   0.00003  -0.00002   0.00001   2.64490
   R92        2.67981  -0.00001  -0.00004  -0.00000  -0.00005   2.67977
   R93        2.64486   0.00001   0.00004  -0.00002   0.00002   2.64487
   R94        2.64113  -0.00002  -0.00006   0.00001  -0.00006   2.64107
   R95        2.67992  -0.00001  -0.00003  -0.00001  -0.00004   2.67988
   R96        2.64118  -0.00002  -0.00007   0.00001  -0.00006   2.64112
   R97        2.73634   0.00001   0.00007  -0.00004   0.00003   2.73637
   R98        2.64497   0.00001   0.00004  -0.00002   0.00002   2.64499
   R99        2.68008  -0.00001  -0.00006   0.00001  -0.00005   2.68003
   R100       2.64491   0.00001   0.00004  -0.00002   0.00002   2.64493
   R101       2.64119  -0.00001  -0.00007   0.00002  -0.00004   2.64114
   R102       2.62957   0.00003   0.00010  -0.00001   0.00009   2.62966
   R103       2.05273  -0.00000  -0.00001   0.00000  -0.00001   2.05271
   R104       2.65532  -0.00001  -0.00004  -0.00001  -0.00005   2.65527
   R105       2.05143   0.00000   0.00001  -0.00001   0.00001   2.05143
   R106       2.63263   0.00001   0.00003  -0.00000   0.00003   2.63266
   R107       2.05228  -0.00000  -0.00001  -0.00000  -0.00001   2.05227
   R108       2.04884   0.00001   0.00005  -0.00001   0.00004   2.04888
   R109       2.63264   0.00001   0.00003  -0.00000   0.00003   2.63267
   R110       2.04885   0.00001   0.00003   0.00001   0.00004   2.04889
   R111       2.65532  -0.00001  -0.00004  -0.00001  -0.00005   2.65527
   R112       2.05231  -0.00000  -0.00001  -0.00000  -0.00001   2.05230
   R113       2.62960   0.00003   0.00009  -0.00000   0.00009   2.62969
   R114       2.05146   0.00000   0.00002  -0.00001   0.00001   2.05147
   R115       2.05273  -0.00000  -0.00001   0.00000  -0.00001   2.05272
   R116       2.62962   0.00002   0.00008  -0.00001   0.00006   2.62969
   R117       2.05276  -0.00000  -0.00002   0.00000  -0.00001   2.05274
   R118       2.65539  -0.00002  -0.00006  -0.00000  -0.00006   2.65533
   R119       2.05147   0.00000   0.00002  -0.00001   0.00001   2.05148
   R120       2.63261   0.00001   0.00005  -0.00002   0.00003   2.63264
   R121       2.05231  -0.00000  -0.00001  -0.00000  -0.00001   2.05230
   R122       2.04889   0.00001  -0.00000   0.00001   0.00001   2.04890
   R123       2.63259   0.00001   0.00005  -0.00002   0.00004   2.63263
   R124       2.04890   0.00001   0.00001  -0.00000   0.00001   2.04891
   R125       2.65542  -0.00002  -0.00006  -0.00001  -0.00007   2.65535
   R126       2.05230  -0.00000  -0.00001  -0.00000  -0.00001   2.05229
   R127       2.62961   0.00002   0.00009  -0.00002   0.00007   2.62968
   R128       2.05146   0.00000   0.00002  -0.00001   0.00001   2.05147
   R129       2.05275  -0.00000  -0.00001   0.00000  -0.00001   2.05274
   R130       2.62967   0.00002   0.00009  -0.00002   0.00007   2.62974
   R131       2.05277  -0.00000  -0.00001   0.00000  -0.00001   2.05276
   R132       2.65549  -0.00002  -0.00005  -0.00001  -0.00006   2.65542
   R133       2.05149   0.00000   0.00002  -0.00001   0.00001   2.05150
   R134       2.63258   0.00000   0.00004  -0.00001   0.00003   2.63261
   R135       2.05237  -0.00000  -0.00001   0.00000  -0.00001   2.05236
   R136       2.04896   0.00001   0.00004  -0.00003   0.00001   2.04897
   R137       2.63251   0.00001   0.00004  -0.00001   0.00003   2.63255
   R138       2.04894   0.00001   0.00000   0.00001   0.00001   2.04895
   R139       2.65557  -0.00002  -0.00006  -0.00001  -0.00007   2.65551
   R140       2.05231  -0.00000  -0.00001  -0.00000  -0.00001   2.05230
   R141       2.62957   0.00002   0.00008  -0.00001   0.00007   2.62964
   R142       2.05148   0.00000   0.00002  -0.00001   0.00001   2.05148
   R143       2.05277  -0.00000  -0.00001   0.00000  -0.00001   2.05276
   R144       2.78526   0.00002  -0.00011   0.00005  -0.00005   2.78521
   R145       3.03072   0.00013  -0.00017  -0.00007  -0.00035   3.03037
   R146       3.04440   0.00001   0.00012  -0.00009   0.00003   3.04442
   R147       2.76263   0.00022   0.00087   0.00037   0.00119   2.76382
   R148       2.75567  -0.00001  -0.00008   0.00005  -0.00003   2.75565
   R149       2.86323   0.00000  -0.00007  -0.00002  -0.00009   2.86314
   R150       2.06510   0.00002   0.00001  -0.00003  -0.00007   2.06503
   R151       2.06405   0.00002  -0.00005  -0.00001  -0.00007   2.06399
   R152       2.06839   0.00001   0.00000   0.00003   0.00003   2.06843
   R153       2.06682  -0.00001   0.00004  -0.00005  -0.00001   2.06681
   R154       2.06658  -0.00000   0.00003  -0.00002   0.00001   2.06659
   R155       2.86354   0.00000  -0.00002   0.00001  -0.00001   2.86353
   R156       2.06922   0.00000   0.00004  -0.00002   0.00001   2.06924
   R157       2.06733   0.00000   0.00000  -0.00001  -0.00000   2.06733
   R158       2.06623   0.00000   0.00003  -0.00001   0.00002   2.06625
   R159       2.06820   0.00000  -0.00001   0.00002   0.00000   2.06821
   R160       2.06605   0.00000   0.00002  -0.00002   0.00000   2.06606
   R161       5.82456  -0.00007  -0.01596  -0.00154  -0.01744   5.80711
   R162       6.28294  -0.00001  -0.01810  -0.00026  -0.01831   6.26463
    A1        2.06394   0.00001   0.00003   0.00002   0.00005   2.06399
    A2        2.10893   0.00001   0.00006   0.00002   0.00008   2.10901
    A3        2.11032  -0.00002  -0.00008  -0.00004  -0.00013   2.11019
    A4        2.12768  -0.00002  -0.00014  -0.00005  -0.00018   2.12750
    A5        2.07044   0.00002   0.00011   0.00006   0.00017   2.07061
    A6        2.08432   0.00000   0.00002   0.00000   0.00001   2.08433
    A7        2.07127   0.00004   0.00019   0.00005   0.00023   2.07150
    A8        2.14623  -0.00001  -0.00012  -0.00003  -0.00019   2.14604
    A9        2.06246  -0.00003   0.00007  -0.00004   0.00011   2.06257
   A10        2.09059  -0.00000  -0.00008   0.00003  -0.00005   2.09054
   A11        2.09594  -0.00002   0.00007  -0.00004   0.00006   2.09600
   A12        2.09621   0.00002  -0.00005   0.00001  -0.00006   2.09615
   A13        2.10529  -0.00002  -0.00011  -0.00003  -0.00013   2.10515
   A14        2.06654   0.00001   0.00019  -0.00008   0.00011   2.06665
   A15        2.11127   0.00001  -0.00008   0.00011   0.00003   2.11130
   A16        2.10605  -0.00000   0.00010   0.00000   0.00010   2.10615
   A17        2.08881   0.00000   0.00006  -0.00007  -0.00001   2.08880
   A18        2.08831  -0.00000  -0.00016   0.00007  -0.00009   2.08822
   A19        2.09419   0.00001   0.00011   0.00006   0.00019   2.09437
   A20        2.10657  -0.00005   0.00002  -0.00022  -0.00020   2.10638
   A21        2.07507   0.00004   0.00006   0.00019   0.00023   2.07530
   A22        2.07023   0.00004   0.00058  -0.00006   0.00049   2.07072
   A23        2.06891  -0.00006  -0.00022  -0.00022  -0.00042   2.06849
   A24        2.13986   0.00002  -0.00047   0.00032  -0.00013   2.13973
   A25        1.93099  -0.00000   0.00319  -0.00017   0.00328   1.93427
   A26        2.04709  -0.00000   0.00196   0.00017   0.00234   2.04943
   A27        1.86953   0.00007  -0.00089   0.00051  -0.00045   1.86908
   A28        2.00869  -0.00002   0.00186  -0.00032   0.00183   2.01052
   A29        1.70365  -0.00001  -0.00494  -0.00011  -0.00522   1.69842
   A30        2.02156  -0.00000   0.00078   0.00000   0.00082   2.02238
   A31        2.08538  -0.00002  -0.00030  -0.00012  -0.00035   2.08502
   A32        2.17384   0.00003  -0.00050   0.00009  -0.00052   2.17332
   A33        2.13632   0.00002   0.00023  -0.00002   0.00021   2.13653
   A34        2.07759  -0.00002  -0.00016  -0.00010  -0.00026   2.07733
   A35        2.06642  -0.00000  -0.00010   0.00015   0.00005   2.06646
   A36        2.05360  -0.00004  -0.00012  -0.00009  -0.00021   2.05339
   A37        2.10923   0.00001   0.00008   0.00004   0.00012   2.10935
   A38        2.11965   0.00002   0.00004   0.00005   0.00008   2.11974
   A39        2.10821   0.00001  -0.00001   0.00011   0.00010   2.10832
   A40        2.09449   0.00000   0.00004  -0.00003   0.00001   2.09449
   A41        2.08029  -0.00001  -0.00003  -0.00008  -0.00011   2.08018
   A42        2.11879   0.00002   0.00023   0.00003   0.00025   2.11904
   A43        2.10091   0.00001   0.00000   0.00001   0.00001   2.10093
   A44        2.06319  -0.00003  -0.00025  -0.00005  -0.00030   2.06289
   A45        2.08334  -0.00001  -0.00066   0.00033  -0.00053   2.08281
   A46        2.06043   0.00001   0.00076  -0.00053   0.00022   2.06065
   A47        2.08525   0.00000  -0.00079   0.00007  -0.00057   2.08468
   A48        2.09031  -0.00003  -0.00440  -0.00016  -0.00455   2.08576
   A49        1.56478   0.00001  -0.00203  -0.00037  -0.00234   1.56244
   A50        2.07903  -0.00001  -0.00016  -0.00010  -0.00022   2.07880
   A51        2.15078   0.00008   0.00001   0.00018   0.00015   2.15093
   A52        2.05259  -0.00007   0.00012  -0.00006   0.00004   2.05263
   A53        2.14012   0.00001   0.00004  -0.00006   0.00005   2.14017
   A54        2.10344   0.00003  -0.00014   0.00002  -0.00014   2.10330
   A55        2.03946  -0.00004   0.00010   0.00004   0.00009   2.03955
   A56        2.07966  -0.00001  -0.00050   0.00006  -0.00047   2.07919
   A57        2.10978   0.00003  -0.00005   0.00003  -0.00002   2.10976
   A58        2.10628   0.00000  -0.00005  -0.00003  -0.00009   2.10619
   A59        2.06713  -0.00003   0.00010   0.00000   0.00010   2.06723
   A60        2.13221   0.00001  -0.00004   0.00004   0.00000   2.13222
   A61        2.06360  -0.00001  -0.00002   0.00003   0.00001   2.06361
   A62        2.08718   0.00000   0.00006  -0.00007  -0.00001   2.08717
   A63        2.03865  -0.00002   0.00013  -0.00005   0.00008   2.03873
   A64        2.12227   0.00001  -0.00001  -0.00008  -0.00010   2.12217
   A65        2.12226   0.00001  -0.00012   0.00013   0.00001   2.12227
   A66        2.12950   0.00002  -0.00003   0.00002   0.00001   2.12951
   A67        2.03260  -0.00002  -0.00003  -0.00007  -0.00010   2.03250
   A68        2.12072   0.00000   0.00005   0.00004   0.00009   2.12081
   A69        2.11198  -0.00003  -0.00016  -0.00001  -0.00018   2.11180
   A70        2.11643  -0.00001  -0.00006   0.00002  -0.00004   2.11639
   A71        2.05478   0.00004   0.00023  -0.00001   0.00022   2.05500
   A72        2.11669  -0.00000  -0.00006  -0.00001  -0.00007   2.11662
   A73        2.11059   0.00000  -0.00002   0.00007   0.00005   2.11064
   A74        2.05590   0.00000   0.00007  -0.00006   0.00002   2.05592
   A75        2.11532  -0.00003  -0.00015  -0.00003  -0.00018   2.11514
   A76        2.11320   0.00001  -0.00005   0.00005   0.00000   2.11321
   A77        2.05466   0.00002   0.00020  -0.00002   0.00018   2.05484
   A78        2.11692  -0.00001  -0.00006   0.00004  -0.00003   2.11690
   A79        2.08683  -0.00001  -0.00014   0.00003  -0.00011   2.08672
   A80        2.07855   0.00001   0.00019  -0.00005   0.00014   2.07869
   A81        2.09835  -0.00001  -0.00005  -0.00002  -0.00008   2.09828
   A82        2.09964   0.00003   0.00027   0.00003   0.00029   2.09993
   A83        2.08495  -0.00002  -0.00021  -0.00000  -0.00022   2.08474
   A84        2.07982   0.00003   0.00016   0.00002   0.00018   2.08000
   A85        2.10146  -0.00001  -0.00006  -0.00003  -0.00009   2.10136
   A86        2.10191  -0.00001  -0.00010   0.00001  -0.00009   2.10182
   A87        2.09792  -0.00001  -0.00005  -0.00003  -0.00007   2.09785
   A88        2.08525  -0.00001  -0.00016  -0.00000  -0.00016   2.08509
   A89        2.09976   0.00002   0.00021   0.00003   0.00024   2.10000
   A90        2.11729  -0.00001  -0.00008   0.00005  -0.00003   2.11726
   A91        2.08472  -0.00001  -0.00010   0.00002  -0.00008   2.08464
   A92        2.08024   0.00001   0.00018  -0.00007   0.00011   2.08035
   A93        2.11754  -0.00002  -0.00016   0.00002  -0.00014   2.11740
   A94        2.08550   0.00001   0.00007  -0.00002   0.00005   2.08555
   A95        2.07925   0.00001   0.00009  -0.00000   0.00009   2.07933
   A96        2.09826  -0.00001   0.00001  -0.00003  -0.00002   2.09823
   A97        2.09957   0.00002   0.00014   0.00000   0.00015   2.09971
   A98        2.08512  -0.00001  -0.00015   0.00002  -0.00013   2.08500
   A99        2.07979   0.00001   0.00007   0.00002   0.00010   2.07988
   A100       2.10206  -0.00002  -0.00006  -0.00004  -0.00010   2.10196
   A101       2.10134   0.00000  -0.00001   0.00002   0.00000   2.10134
   A102       2.09801  -0.00001  -0.00004  -0.00003  -0.00007   2.09794
   A103       2.08488  -0.00000  -0.00010   0.00003  -0.00007   2.08481
   A104       2.10005   0.00002   0.00015  -0.00001   0.00014   2.10019
   A105       2.11784  -0.00001  -0.00010   0.00002  -0.00008   2.11776
   A106       2.08589   0.00001  -0.00001   0.00001  -0.00001   2.08588
   A107       2.07855   0.00001   0.00011  -0.00002   0.00009   2.07865
   A108       2.11779  -0.00001  -0.00009   0.00002  -0.00007   2.11772
   A109       2.08697  -0.00001  -0.00006  -0.00002  -0.00007   2.08690
   A110       2.07757   0.00001   0.00015  -0.00000   0.00015   2.07772
   A111       2.09818  -0.00001  -0.00006  -0.00001  -0.00008   2.09810
   A112       2.09986   0.00002   0.00023  -0.00003   0.00020   2.10005
   A113       2.08491  -0.00001  -0.00017   0.00005  -0.00012   2.08479
   A114       2.07959   0.00002   0.00011   0.00001   0.00012   2.07971
   A115       2.10167  -0.00001  -0.00010   0.00004  -0.00005   2.10162
   A116       2.10192  -0.00001  -0.00002  -0.00005  -0.00007   2.10186
   A117       2.09833  -0.00001  -0.00001  -0.00002  -0.00003   2.09830
   A118       2.08504  -0.00001  -0.00015   0.00003  -0.00012   2.08492
   A119       2.09958   0.00002   0.00016  -0.00001   0.00015   2.09973
   A120       2.11770  -0.00002  -0.00015   0.00003  -0.00012   2.11758
   A121       2.08553  -0.00000  -0.00007   0.00001  -0.00006   2.08547
   A122       2.07922   0.00002   0.00023  -0.00004   0.00019   2.07941
   A123       2.19595   0.00001   0.00004   0.00004   0.00008   2.19603
   A124       2.19629  -0.00001  -0.00001  -0.00004  -0.00005   2.19624
   A125       1.89094  -0.00000  -0.00003   0.00000  -0.00003   1.89091
   A126       2.19619   0.00000   0.00006  -0.00005   0.00001   2.19620
   A127       2.19617  -0.00000  -0.00007   0.00004  -0.00003   2.19614
   A128       1.89082   0.00000   0.00002   0.00000   0.00002   1.89084
   A129       2.19611  -0.00000   0.00007  -0.00008  -0.00000   2.19611
   A130       2.19607   0.00000  -0.00005   0.00008   0.00003   2.19610
   A131       1.89101  -0.00000  -0.00002  -0.00000  -0.00003   1.89098
   A132       1.90148  -0.00001  -0.00004   0.00000  -0.00004   1.90145
   A133       2.26001  -0.00003  -0.00015  -0.00005  -0.00020   2.25981
   A134       2.12117   0.00004   0.00018   0.00005   0.00024   2.12141
   A135       1.86551   0.00001   0.00002   0.00000   0.00002   1.86553
   A136       2.08655  -0.00002  -0.00013  -0.00004  -0.00017   2.08638
   A137       2.33105   0.00002   0.00011   0.00004   0.00016   2.33121
   A138       1.86548   0.00001   0.00001   0.00001   0.00002   1.86550
   A139       2.33106   0.00002   0.00013   0.00002   0.00015   2.33121
   A140       2.08657  -0.00002  -0.00013  -0.00003  -0.00016   2.08641
   A141       1.90148  -0.00001  -0.00001  -0.00002  -0.00002   1.90146
   A142       2.26011  -0.00003  -0.00019  -0.00001  -0.00020   2.25991
   A143       2.12108   0.00003   0.00020   0.00003   0.00023   2.12131
   A144       1.90153  -0.00001   0.00001  -0.00002  -0.00001   1.90152
   A145       2.25986  -0.00003  -0.00021   0.00005  -0.00016   2.25970
   A146       2.12130   0.00003   0.00020  -0.00003   0.00018   2.12147
   A147       1.86538   0.00001   0.00001   0.00002   0.00003   1.86541
   A148       2.08644  -0.00002  -0.00014   0.00001  -0.00014   2.08631
   A149       2.33129   0.00001   0.00013  -0.00002   0.00011   2.33141
   A150       1.86543   0.00001   0.00001   0.00002   0.00002   1.86545
   A151       2.33127   0.00001   0.00011  -0.00002   0.00010   2.33137
   A152       2.08642  -0.00002  -0.00012   0.00000  -0.00012   2.08630
   A153       1.90149  -0.00001   0.00001  -0.00001  -0.00001   1.90148
   A154       2.25990  -0.00002  -0.00017   0.00002  -0.00014   2.25975
   A155       2.12132   0.00003   0.00016  -0.00001   0.00015   2.12147
   A156       1.90165  -0.00000  -0.00001  -0.00000  -0.00001   1.90164
   A157       2.25954  -0.00002  -0.00015   0.00001  -0.00014   2.25940
   A158       2.12154   0.00003   0.00016  -0.00001   0.00015   2.12169
   A159       1.86523   0.00001   0.00002   0.00001   0.00003   1.86525
   A160       2.08631  -0.00002  -0.00013   0.00001  -0.00013   2.08619
   A161       2.33158   0.00002   0.00011  -0.00001   0.00010   2.33168
   A162       1.86517   0.00001  -0.00000   0.00003   0.00003   1.86520
   A163       2.33166   0.00002   0.00015  -0.00005   0.00010   2.33176
   A164       2.08629  -0.00002  -0.00014   0.00002  -0.00013   2.08616
   A165       1.90172  -0.00001   0.00002  -0.00004  -0.00002   1.90170
   A166       2.25967  -0.00002  -0.00021   0.00008  -0.00013   2.25954
   A167       2.12134   0.00003   0.00020  -0.00004   0.00015   2.12149
   A168       2.07985  -0.00000  -0.00004   0.00001  -0.00002   2.07983
   A169       2.10005   0.00002   0.00017  -0.00002   0.00016   2.10021
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   A171       2.10395   0.00001   0.00010   0.00000   0.00011   2.10406
   A172       2.09211  -0.00002  -0.00017   0.00000  -0.00017   2.09194
   A173       2.08711   0.00001   0.00007  -0.00001   0.00007   2.08717
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   A175       2.08505   0.00001   0.00004  -0.00001   0.00003   2.08508
   A176       2.07834   0.00001   0.00004   0.00001   0.00005   2.07839
   A177       2.05496  -0.00001  -0.00006  -0.00002  -0.00007   2.05489
   A178       2.11744  -0.00001  -0.00008  -0.00002  -0.00010   2.11734
   A179       2.11076   0.00002   0.00014   0.00004   0.00018   2.11094
   A180       2.05483  -0.00001  -0.00005  -0.00003  -0.00007   2.05476
   A181       2.11750  -0.00001  -0.00008  -0.00002  -0.00010   2.11740
   A182       2.11082   0.00002   0.00013   0.00005   0.00018   2.11100
   A183       2.11988  -0.00001  -0.00008  -0.00001  -0.00009   2.11979
   A184       2.07819   0.00001   0.00006   0.00000   0.00006   2.07825
   A185       2.08511   0.00001   0.00003   0.00000   0.00003   2.08514
   A186       2.10394   0.00001   0.00011   0.00001   0.00012   2.10406
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   A188       2.09202  -0.00002  -0.00017   0.00000  -0.00017   2.09185
   A189       2.07983  -0.00001  -0.00004   0.00001  -0.00002   2.07981
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   A191       2.10329  -0.00001  -0.00014   0.00001  -0.00013   2.10316
   A192       2.07985  -0.00000  -0.00003   0.00001  -0.00002   2.07983
   A193       2.10004   0.00002   0.00020  -0.00004   0.00016   2.10020
   A194       2.10328  -0.00001  -0.00017   0.00002  -0.00014   2.10314
   A195       2.10399   0.00001   0.00011  -0.00001   0.00010   2.10409
   A196       2.09203  -0.00002  -0.00017   0.00001  -0.00017   2.09187
   A197       2.08715   0.00000   0.00006   0.00001   0.00007   2.08722
   A198       2.11985  -0.00001  -0.00010   0.00001  -0.00009   2.11977
   A199       2.08514   0.00000  -0.00001   0.00002   0.00001   2.08515
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   A203       2.11098   0.00001   0.00012   0.00000   0.00012   2.11110
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   A205       2.11740  -0.00001  -0.00015   0.00002  -0.00013   2.11726
   A206       2.11097   0.00002   0.00019  -0.00003   0.00017   2.11113
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   A210       2.10400   0.00001   0.00012  -0.00002   0.00011   2.10411
   A211       2.08710   0.00000   0.00005   0.00001   0.00006   2.08717
   A212       2.09206  -0.00002  -0.00017   0.00000  -0.00017   2.09189
   A213       2.07983  -0.00000  -0.00003   0.00002  -0.00002   2.07981
   A214       2.10004   0.00002   0.00019  -0.00003   0.00017   2.10021
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   A216       2.07994  -0.00000  -0.00003   0.00002  -0.00001   2.07993
   A217       2.10004   0.00002   0.00018  -0.00003   0.00015   2.10019
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   A219       2.10400   0.00001   0.00011  -0.00002   0.00010   2.10410
   A220       2.09201  -0.00002  -0.00018   0.00001  -0.00017   2.09184
   A221       2.08717   0.00000   0.00007   0.00001   0.00008   2.08724
   A222       2.11983  -0.00001  -0.00010   0.00001  -0.00009   2.11973
   A223       2.08501   0.00000   0.00001   0.00000   0.00001   2.08502
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   A225       2.05484  -0.00000  -0.00004   0.00002  -0.00002   2.05482
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   A227       2.11147   0.00001   0.00015  -0.00004   0.00011   2.11158
   A228       2.05460  -0.00000  -0.00001  -0.00000  -0.00002   2.05459
   A229       2.11727  -0.00001  -0.00010   0.00000  -0.00010   2.11717
   A230       2.11130   0.00001   0.00011   0.00000   0.00012   2.11141
   A231       2.11992  -0.00001  -0.00011   0.00001  -0.00010   2.11982
   A232       2.07819   0.00001   0.00010  -0.00002   0.00008   2.07827
   A233       2.08507   0.00000   0.00000   0.00001   0.00002   2.08509
   A234       2.10408   0.00001   0.00011  -0.00002   0.00010   2.10417
   A235       2.08708   0.00001   0.00007   0.00001   0.00008   2.08716
   A236       2.09202  -0.00002  -0.00018   0.00001  -0.00017   2.09184
   A237       2.07978  -0.00000  -0.00002   0.00001  -0.00001   2.07977
   A238       2.10010   0.00002   0.00019  -0.00003   0.00016   2.10027
   A239       2.10329  -0.00001  -0.00018   0.00002  -0.00015   2.10314
   A240       2.01685  -0.00004   0.00059  -0.00024   0.00038   2.01723
   A241       1.84562   0.00003  -0.00065   0.00006  -0.00051   1.84511
   A242       1.73095   0.00008  -0.00076   0.00017  -0.00066   1.73028
   A243       2.02834   0.00000   0.00017   0.00022   0.00036   2.02870
   A244       2.03138  -0.00004  -0.00065   0.00001  -0.00063   2.03076
   A245       1.77075  -0.00000   0.00122  -0.00023   0.00097   1.77172
   A246       2.11545  -0.00004  -0.00020  -0.00011  -0.00021   2.11524
   A247       2.06247   0.00003   0.00003  -0.00000   0.00003   2.06250
   A248       1.87837  -0.00001  -0.00041   0.00010  -0.00042   1.87795
   A249       1.87978  -0.00001  -0.00004  -0.00015  -0.00013   1.87965
   A250       1.89568   0.00002   0.00013  -0.00029  -0.00009   1.89559
   A251       1.95395   0.00002   0.00080  -0.00006   0.00076   1.95472
   A252       1.95921   0.00000   0.00053   0.00011   0.00065   1.95986
   A253       1.89440  -0.00002  -0.00104   0.00027  -0.00081   1.89360
   A254       1.91003   0.00006   0.00037   0.00002   0.00039   1.91041
   A255       1.93776  -0.00004  -0.00016  -0.00003  -0.00018   1.93758
   A256       1.93739  -0.00001   0.00008  -0.00009  -0.00001   1.93738
   A257       1.89090  -0.00001  -0.00010   0.00003  -0.00006   1.89083
   A258       1.89056  -0.00002  -0.00017   0.00005  -0.00012   1.89044
   A259       1.89600   0.00001  -0.00003   0.00002  -0.00001   1.89599
   A260       1.88108   0.00002   0.00003   0.00009   0.00012   1.88120
   A261       1.89119  -0.00001  -0.00001  -0.00010  -0.00011   1.89108
   A262       1.89388  -0.00000   0.00001   0.00004   0.00005   1.89393
   A263       1.94736  -0.00000  -0.00003  -0.00001  -0.00004   1.94732
   A264       1.95134  -0.00000  -0.00001   0.00001  -0.00000   1.95134
   A265       1.89736   0.00000   0.00001  -0.00003  -0.00002   1.89734
   A266       1.93717  -0.00000   0.00006  -0.00005   0.00000   1.93718
   A267       1.91352   0.00000  -0.00006   0.00005  -0.00001   1.91351
   A268       1.93443   0.00001   0.00013  -0.00002   0.00011   1.93455
   A269       1.89209  -0.00000  -0.00007  -0.00001  -0.00007   1.89202
   A270       1.89327  -0.00000  -0.00004   0.00002  -0.00002   1.89325
   A271       1.89225  -0.00000  -0.00003   0.00001  -0.00002   1.89223
   A272       1.89552   0.00002  -0.00034   0.00026   0.00002   1.89554
   A273       1.65299  -0.00001   0.00075  -0.00042   0.00040   1.65340
   A274       1.72521   0.00007   0.00310   0.00026   0.00350   1.72871
   A275       1.81136   0.00005  -0.00027   0.00018   0.00013   1.81149
   A276       1.23006   0.00006   0.00379   0.00021   0.00408   1.23415
   A277       1.33713   0.00006   0.00155   0.00023   0.00195   1.33908
   A278       0.55603   0.00000   0.00147   0.00011   0.00152   0.55755
    D1        0.01074   0.00001   0.00024  -0.00001   0.00022   0.01096
    D2        3.11060   0.00001  -0.00004   0.00029   0.00024   3.11084
    D3       -3.13075   0.00001   0.00040   0.00003   0.00043  -3.13032
    D4       -0.03088   0.00001   0.00012   0.00033   0.00045  -0.03043
    D5       -0.03112   0.00000  -0.00015   0.00019   0.00004  -0.03108
    D6        3.10376   0.00001   0.00017   0.00029   0.00047   3.10423
    D7        3.11036   0.00000  -0.00031   0.00015  -0.00016   3.11019
    D8       -0.03794   0.00001   0.00002   0.00025   0.00026  -0.03768
    D9        2.49544  -0.00001  -0.00062  -0.00018  -0.00080   2.49463
   D10       -0.64686  -0.00001  -0.00050  -0.00021  -0.00072  -0.64757
   D11       -0.64604  -0.00001  -0.00046  -0.00013  -0.00059  -0.64663
   D12        2.49485  -0.00001  -0.00034  -0.00017  -0.00050   2.49435
   D13        0.03428  -0.00001  -0.00009  -0.00030  -0.00038   0.03390
   D14       -3.01952  -0.00003  -0.00223  -0.00007  -0.00232  -3.02184
   D15       -3.06526  -0.00001   0.00019  -0.00060  -0.00041  -3.06567
   D16        0.16413  -0.00003  -0.00195  -0.00037  -0.00235   0.16178
   D17       -0.05950   0.00001  -0.00015   0.00043   0.00029  -0.05921
   D18        3.04995  -0.00001  -0.00175   0.00035  -0.00140   3.04855
   D19        2.99855   0.00003   0.00188   0.00021   0.00212   3.00067
   D20       -0.17519   0.00001   0.00028   0.00013   0.00043  -0.17475
   D21       -2.91736   0.00005   0.00245  -0.00036   0.00209  -2.91527
   D22        0.35568   0.00002   0.00077  -0.00061   0.00014   0.35582
   D23        0.31161   0.00003   0.00031  -0.00013   0.00016   0.31177
   D24       -2.69853  -0.00000  -0.00137  -0.00039  -0.00179  -2.70033
   D25        0.04032  -0.00000   0.00023  -0.00027  -0.00004   0.04028
   D26       -3.11541   0.00001   0.00038  -0.00021   0.00016  -3.11525
   D27       -3.06912   0.00001   0.00183  -0.00018   0.00164  -3.06748
   D28        0.05833   0.00002   0.00197  -0.00013   0.00184   0.06018
   D29       -0.38754  -0.00003   0.00348  -0.00028   0.00324  -0.38430
   D30        2.82517  -0.00001   0.00371   0.00021   0.00395   2.82912
   D31        2.72180  -0.00004   0.00187  -0.00036   0.00155   2.72335
   D32       -0.34867  -0.00002   0.00211   0.00013   0.00227  -0.34641
   D33        0.00580  -0.00000  -0.00008  -0.00005  -0.00013   0.00567
   D34       -3.12909  -0.00001  -0.00041  -0.00015  -0.00056  -3.12965
   D35       -3.12129  -0.00001  -0.00023  -0.00011  -0.00034  -3.12163
   D36        0.02701  -0.00002  -0.00056  -0.00021  -0.00077   0.02624
   D37        0.13350  -0.00003  -0.00471   0.00028  -0.00448   0.12902
   D38       -2.91245  -0.00005  -0.00349  -0.00027  -0.00380  -2.91625
   D39       -3.13718  -0.00001  -0.00307   0.00050  -0.00259  -3.13977
   D40        0.10006  -0.00003  -0.00185  -0.00005  -0.00192   0.09814
   D41        2.98286   0.00004   0.00301   0.00019   0.00324   2.98610
   D42       -0.07619   0.00004   0.00343  -0.00017   0.00328  -0.07291
   D43       -0.02870   0.00002   0.00135  -0.00005   0.00131  -0.02739
   D44       -3.08775   0.00001   0.00177  -0.00041   0.00136  -3.08640
   D45       -0.66193   0.00000   0.00726  -0.00036   0.00684  -0.65509
   D46       -3.01396   0.00003  -0.00237   0.00015  -0.00210  -3.01605
   D47        1.17612   0.00002   0.00241  -0.00031   0.00200   1.17812
   D48        2.37991   0.00001   0.00600   0.00019   0.00612   2.38603
   D49        0.02788   0.00005  -0.00362   0.00070  -0.00282   0.02506
   D50       -2.06523   0.00003   0.00116   0.00023   0.00129  -2.06394
   D51       -0.09573   0.00002   0.00086   0.00023   0.00110  -0.09463
   D52        3.01944   0.00000  -0.00018  -0.00011  -0.00029   3.01915
   D53       -3.13763  -0.00000   0.00207  -0.00033   0.00177  -3.13587
   D54       -0.02247  -0.00001   0.00102  -0.00066   0.00037  -0.02209
   D55        0.78210   0.00002  -0.00652   0.00037  -0.00606   0.77604
   D56       -2.43466   0.00000  -0.00676  -0.00015  -0.00681  -2.44148
   D57       -3.13036  -0.00000   0.00287   0.00012   0.00288  -3.12748
   D58       -0.06394  -0.00002   0.00263  -0.00041   0.00213  -0.06181
   D59       -1.16514  -0.00005  -0.00403  -0.00009  -0.00413  -1.16927
   D60        1.90128  -0.00007  -0.00427  -0.00062  -0.00487   1.89641
   D61        2.37510  -0.00004   0.00700  -0.00021   0.00674   2.38184
   D62       -1.11567  -0.00002   0.00445  -0.00061   0.00392  -1.11175
   D63        0.05727  -0.00001  -0.00352   0.00023  -0.00322   0.05404
   D64        2.84969   0.00000  -0.00607  -0.00016  -0.00605   2.84364
   D65        2.40740  -0.00001  -0.00348   0.00020  -0.00308   2.40432
   D66        1.84671  -0.00002  -0.00542   0.00005  -0.00538   1.84133
   D67       -1.87900   0.00000  -0.00205   0.00012  -0.00172  -1.88073
   D68       -2.43970  -0.00001  -0.00398  -0.00003  -0.00402  -2.44372
   D69        3.10265   0.00002  -0.00023  -0.00029  -0.00049   3.10216
   D70        0.03879   0.00004  -0.00002   0.00024   0.00023   0.03903
   D71       -0.04921   0.00000   0.00016  -0.00002   0.00014  -0.04907
   D72        3.13197   0.00000   0.00042  -0.00010   0.00032   3.13230
   D73        3.01035   0.00000  -0.00026   0.00033   0.00008   3.01043
   D74       -0.09165   0.00000   0.00000   0.00025   0.00026  -0.09139
   D75        0.05534  -0.00002  -0.00119   0.00018  -0.00101   0.05433
   D76       -3.10768  -0.00002  -0.00138   0.00016  -0.00122  -3.10891
   D77       -3.12610  -0.00001  -0.00146   0.00026  -0.00119  -3.12729
   D78       -0.00594  -0.00002  -0.00165   0.00024  -0.00140  -0.00734
   D79        2.47688   0.00001   0.00149   0.00025   0.00174   2.47862
   D80       -0.66625   0.00002   0.00172   0.00021   0.00194  -0.66431
   D81       -0.62361   0.00001   0.00177   0.00017   0.00193  -0.62167
   D82        2.51645   0.00002   0.00200   0.00013   0.00213   2.51858
   D83        0.01711   0.00001   0.00069  -0.00029   0.00040   0.01751
   D84       -3.09861   0.00002   0.00171   0.00004   0.00176  -3.09685
   D85       -3.10322   0.00001   0.00088  -0.00026   0.00061  -3.10261
   D86        0.06424   0.00002   0.00190   0.00007   0.00197   0.06621
   D87       -0.03241   0.00003   0.00210   0.00007   0.00219  -0.03021
   D88       -3.13013   0.00004   0.00312  -0.00015   0.00301  -3.12712
   D89       -2.81983   0.00001   0.00434   0.00059   0.00490  -2.81493
   D90        0.36564   0.00002   0.00537   0.00037   0.00571   0.37135
   D91       -0.92826   0.00000  -0.00229   0.00000  -0.00236  -0.93061
   D92        2.25720   0.00001  -0.00127  -0.00021  -0.00154   2.25566
   D93        0.13666  -0.00003   0.00147  -0.00008   0.00138   0.13804
   D94       -2.13330  -0.00002   0.00135  -0.00026   0.00104  -2.13226
   D95        2.32166  -0.00005   0.00046  -0.00008   0.00035   2.32201
   D96        2.92869  -0.00001  -0.00106  -0.00043  -0.00144   2.92725
   D97        0.65872  -0.00001  -0.00118  -0.00060  -0.00178   0.65695
   D98       -1.16950  -0.00003  -0.00207  -0.00042  -0.00247  -1.17196
   D99        0.75517   0.00001   0.00584  -0.00001   0.00587   0.76104
   D100      -1.51479   0.00002   0.00572  -0.00018   0.00553  -1.50927
   D101       2.94017  -0.00001   0.00483  -0.00000   0.00484   2.94501
   D102      -1.13588  -0.00001   0.00099   0.00030   0.00137  -1.13451
   D103      -1.70579  -0.00000  -0.00044   0.00023  -0.00015  -1.70594
   D104       1.03343  -0.00001  -0.00272   0.00007  -0.00263   1.03080
   D105       0.46352  -0.00001  -0.00415  -0.00000  -0.00415   0.45937
   D106       0.00469  -0.00002   0.00069  -0.00028   0.00038   0.00507
   D107      -3.11679  -0.00000   0.00051  -0.00018   0.00033  -3.11645
   D108       3.10487  -0.00002  -0.00029  -0.00007  -0.00038   3.10449
   D109      -0.01660  -0.00001  -0.00046   0.00004  -0.00043  -0.01703
   D110       3.11887   0.00000  -0.00037   0.00004  -0.00032   3.11855
   D111      -0.02058   0.00001   0.00006   0.00014   0.00021  -0.02037
   D112       0.02052   0.00001   0.00065  -0.00017   0.00049   0.02101
   D113      -3.11892   0.00002   0.00108  -0.00007   0.00102  -3.11791
   D114      -0.00780  -0.00002  -0.00173   0.00012  -0.00161  -0.00941
   D115       3.11436  -0.00002  -0.00156   0.00002  -0.00156   3.11280
   D116       0.00089   0.00000   0.00009   0.00006   0.00015   0.00104
   D117       3.11430  -0.00000  -0.00014   0.00009  -0.00004   3.11426
   D118      -3.12171   0.00001  -0.00007   0.00016   0.00010  -3.12160
   D119      -0.00830   0.00001  -0.00030   0.00019  -0.00009  -0.00839
   D120      -0.00896  -0.00001  -0.00048   0.00022  -0.00026  -0.00922
   D121       3.11143  -0.00000  -0.00034   0.00027  -0.00008   3.11136
   D122       3.13053  -0.00001  -0.00091   0.00012  -0.00078   3.12975
   D123      -0.03226  -0.00001  -0.00077   0.00017  -0.00059  -0.03285
   D124      -0.00700  -0.00000   0.00010  -0.00012  -0.00003  -0.00703
   D125       3.13985   0.00000   0.00019  -0.00010   0.00009   3.13995
   D126      -3.12712  -0.00001  -0.00004  -0.00017  -0.00022  -3.12734
   D127       0.01974  -0.00000   0.00005  -0.00015  -0.00010   0.01964
   D128       0.01093   0.00000   0.00010  -0.00002   0.00008   0.01102
   D129      -3.10107   0.00001   0.00033  -0.00005   0.00029  -3.10078
   D130      -3.13592  -0.00000   0.00000  -0.00004  -0.00004  -3.13596
   D131       0.03526   0.00000   0.00024  -0.00008   0.00017   0.03543
   D132       0.61490   0.00001   0.00096   0.00003   0.00099   0.61588
   D133      -2.52700   0.00000   0.00066   0.00013   0.00078  -2.52621
   D134      -2.52118   0.00001   0.00106   0.00005   0.00111  -2.52006
   D135       0.62011   0.00001   0.00076   0.00015   0.00091   0.62102
   D136      -3.13251  -0.00000  -0.00005   0.00001  -0.00004  -3.13255
   D137      -0.03702  -0.00000  -0.00027   0.00012  -0.00015  -0.03717
   D138       0.00976  -0.00000  -0.00016   0.00004  -0.00012   0.00964
   D139       3.10525  -0.00000  -0.00039   0.00016  -0.00023   3.10502
   D140      -3.13488   0.00000   0.00014  -0.00004   0.00010  -3.13478
   D141      -0.03924   0.00000   0.00009   0.00008   0.00017  -0.03907
   D142       0.00603   0.00000   0.00026  -0.00008   0.00018   0.00622
   D143       3.10168   0.00000   0.00021   0.00004   0.00025   3.10193
   D144      -3.13428   0.00001   0.00040  -0.00002   0.00037  -3.13390
   D145      -0.03818   0.00001   0.00026   0.00015   0.00040  -0.03777
   D146       0.00880   0.00000   0.00017   0.00001   0.00018   0.00899
   D147       3.10490   0.00001   0.00003   0.00018   0.00022   3.10512
   D148      -3.13285  -0.00001  -0.00027  -0.00001  -0.00028  -3.13312
   D149      -0.03825  -0.00000  -0.00023  -0.00001  -0.00024  -0.03849
   D150       0.00726  -0.00000  -0.00004  -0.00005  -0.00009   0.00717
   D151       3.10186   0.00000  -0.00001  -0.00004  -0.00005   3.10181
   D152       3.13420  -0.00000  -0.00033   0.00004  -0.00030   3.13390
   D153       0.03740  -0.00001  -0.00033  -0.00004  -0.00037   0.03703
   D154      -0.00710  -0.00000  -0.00004  -0.00006  -0.00010  -0.00720
   D155      -3.10391  -0.00000  -0.00004  -0.00013  -0.00017  -3.10408
   D156       3.13547   0.00000   0.00026  -0.00005   0.00021   3.13568
   D157       0.03534   0.00000   0.00016  -0.00005   0.00010   0.03545
   D158      -0.00641   0.00000  -0.00004   0.00005   0.00002  -0.00640
   D159      -3.10654  -0.00000  -0.00014   0.00004  -0.00009  -3.10663
   D160      -0.01632  -0.00000  -0.00018   0.00005  -0.00013  -0.01645
   D161       3.10146   0.00000   0.00000   0.00006   0.00006   3.10153
   D162      -3.11263  -0.00000  -0.00003  -0.00012  -0.00015  -3.11279
   D163       0.00515  -0.00000   0.00015  -0.00011   0.00004   0.00519
   D164       0.00765  -0.00000   0.00005  -0.00008  -0.00003   0.00762
   D165      -3.13399   0.00000   0.00004  -0.00001   0.00003  -3.13396
   D166      -3.11034  -0.00000  -0.00013  -0.00009  -0.00022  -3.11057
   D167       0.03121  -0.00000  -0.00014  -0.00003  -0.00017   0.03104
   D168       0.00818   0.00000   0.00007   0.00005   0.00012   0.00830
   D169      -3.10899  -0.00000  -0.00010   0.00005  -0.00004  -3.10903
   D170      -3.13337   0.00000   0.00008  -0.00002   0.00006  -3.13331
   D171       0.03265  -0.00000  -0.00009  -0.00001  -0.00010   0.03255
   D172       0.93622   0.00003   0.00150   0.00036   0.00187   0.93809
   D173      -2.20431   0.00003   0.00174   0.00041   0.00214  -2.20216
   D174      -2.20541   0.00003   0.00149   0.00043   0.00193  -2.20349
   D175       0.93724   0.00003   0.00173   0.00047   0.00220   0.93945
   D176      -0.01580  -0.00000  -0.00008   0.00002  -0.00006  -0.01586
   D177      -3.11051  -0.00000  -0.00011   0.00001  -0.00010  -3.11060
   D178       3.10116   0.00000   0.00009   0.00001   0.00010   3.10126
   D179       0.00645  -0.00000   0.00006   0.00000   0.00006   0.00652
   D180      -0.01648  -0.00000  -0.00012   0.00005  -0.00007  -0.01655
   D181       3.10156  -0.00000  -0.00010  -0.00003  -0.00013   3.10143
   D182      -3.11213  -0.00000   0.00010  -0.00007   0.00003  -3.11210
   D183       0.00591  -0.00000   0.00012  -0.00015  -0.00003   0.00588
   D184       0.00724   0.00000   0.00032  -0.00011   0.00021   0.00745
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   D186      -3.11100   0.00000   0.00029  -0.00003   0.00027  -3.11073
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   D405       1.30034  -0.00002   0.00091   0.00026   0.00113   1.30147
   D406       2.72552   0.00003  -0.00693   0.00060  -0.00631   2.71921
   D407      -1.44801   0.00004  -0.00623   0.00049  -0.00571  -1.45372
   D408       0.60049   0.00002  -0.00740   0.00058  -0.00679   0.59370
   D409       3.01119  -0.00002  -0.00251  -0.00089  -0.00340   3.00779
   D410      -1.16221  -0.00002  -0.00253  -0.00091  -0.00344  -1.16565
   D411       0.89508  -0.00002  -0.00252  -0.00098  -0.00349   0.89158
   D412       3.11378  -0.00000  -0.00036   0.00002  -0.00034   3.11344
   D413      -1.08295   0.00000  -0.00034   0.00006  -0.00028  -1.08323
   D414       1.02796  -0.00001  -0.00043   0.00001  -0.00042   1.02754
   D415       1.05136   0.00000  -0.00051   0.00019  -0.00035   1.05101
   D416       3.13782   0.00001  -0.00049   0.00022  -0.00029   3.13753
   D417      -1.03445  -0.00001  -0.00058   0.00017  -0.00043  -1.03489
   D418      -1.08440   0.00001  -0.00015  -0.00020  -0.00033  -1.08473
   D419       1.00206   0.00001  -0.00013  -0.00017  -0.00028   1.00179
   D420       3.11297  -0.00000  -0.00022  -0.00022  -0.00042   3.11255
   D421       1.29880  -0.00001   0.00131  -0.00018   0.00126   1.30006
   D422      -2.92282  -0.00002   0.00124  -0.00019   0.00110  -2.92171
   D423      -0.75052  -0.00001   0.00172   0.00010   0.00187  -0.74865
   D424      -1.39408   0.00001  -0.00063  -0.00015  -0.00090  -1.39498
   D425       2.81424   0.00001  -0.00053  -0.00015  -0.00072   2.81352
   D426       0.64507  -0.00000  -0.00117  -0.00034  -0.00155   0.64352
   D427       1.04875  -0.00000  -0.00054  -0.00023  -0.00077   1.04797
   D428       3.13857  -0.00001  -0.00063  -0.00024  -0.00087   3.13770
   D429      -1.05632  -0.00000  -0.00062  -0.00021  -0.00082  -1.05714
   D430      -1.02549  -0.00000  -0.00053  -0.00016  -0.00069  -1.02618
   D431       1.06433  -0.00000  -0.00061  -0.00017  -0.00079   1.06354
   D432      -3.13056  -0.00000  -0.00061  -0.00014  -0.00074  -3.13130
   D433       3.12862   0.00000  -0.00051  -0.00012  -0.00063   3.12799
   D434      -1.06474   0.00000  -0.00060  -0.00013  -0.00073  -1.06547
   D435       1.02356   0.00000  -0.00059  -0.00010  -0.00069   1.02287
   D436      -1.36444   0.00002   0.00510  -0.00005   0.00507  -1.35936
   D437      -1.26190   0.00000   0.00337  -0.00020   0.00315  -1.25876
   D438       0.41420   0.00001  -0.00044  -0.00015  -0.00057   0.41363
   D439       1.08298   0.00004   0.00710   0.00044   0.00768   1.09066
   D440       0.90673   0.00002   0.00524   0.00024   0.00548   0.91221
   D441      -0.39295  -0.00001   0.00032   0.00019   0.00053  -0.39242
         Item               Value     Threshold  Converged?
 Maximum Force            0.000237     0.000450     YES
 RMS     Force            0.000024     0.000300     YES
 Maximum Displacement     0.059710     0.001800     NO 
 RMS     Displacement     0.008379     0.001200     NO 
 Predicted change in Energy=-1.980418D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.832403    2.896690    0.549773
      2          6           0       -2.065358    1.521376    0.678845
      3          6           0       -1.017205    0.593831    0.716832
      4          6           0        0.309545    1.068988    0.663631
      5          6           0        0.551824    2.439016    0.503026
      6          6           0       -0.500444    3.339992    0.443357
      7          6           0       -1.235871   -0.866400    0.704013
      8          6           0       -0.169306   -1.745545    1.018549
      9          6           0        1.121612   -1.161411    1.523300
     10          6           0        1.435183    0.133598    0.819250
     11          6           0       -2.440061   -1.404096    0.236089
     12          6           0       -2.621085   -2.778699    0.035920
     13          6           0       -1.522800   -3.619675    0.264387
     14          6           0       -0.320870   -3.107516    0.736078
     15          7           0        2.229500   -2.051475    1.682586
     16          6           0        3.524593   -1.641892    1.243069
     17          6           0        3.673786   -0.378932    0.626480
     18          7           0        2.610922    0.488162    0.433688
     19          6           0        4.664217   -2.455189    1.343972
     20          6           0        5.896616   -2.017168    0.875377
     21          6           0        6.063978   -0.757054    0.273045
     22          6           0        4.926460    0.040258    0.156645
     23          6           0       -2.959802    3.859705    0.526348
     24          6           0       -3.915753   -3.312165   -0.450119
     25          6           0        7.385476   -0.301693   -0.220674
     26          6           0       -3.968634   -4.382215   -1.359413
     27          6           0       -5.183412   -4.877274   -1.822793
     28          6           0       -6.388675   -4.324317   -1.370999
     29          6           0       -6.353047   -3.263786   -0.456602
     30          6           0       -5.133117   -2.762722   -0.013204
     31          6           0       -2.850113    5.117660    1.143415
     32          6           0       -3.907312    6.022104    1.134684
     33          6           0       -5.106248    5.698934    0.486540
     34          6           0       -5.228051    4.453301   -0.142411
     35          6           0       -4.172093    3.547908   -0.112527
     36          6           0        8.299091   -1.203619   -0.792015
     37          6           0        9.536740   -0.777997   -1.264698
     38          6           0        9.904519    0.569476   -1.163027
     39          6           0        9.008436    1.479979   -0.588823
     40          6           0        7.766686    1.048076   -0.133441
     41          7           0       -6.183317    6.621483    0.466312
     42          7           0       -7.629181   -4.832137   -1.833784
     43          7           0       11.168904    1.006577   -1.635750
     44          6           0       -8.035589   -6.172155   -1.787301
     45          6           0       -9.335070   -6.278722   -2.344778
     46          6           0       -9.730490   -4.945299   -2.747913
     47          6           0       -8.657197   -4.079701   -2.417011
     48          6           0       -7.495638    6.359000    0.880461
     49          6           0       -8.276773    7.529384    0.704701
     50          6           0       -7.398649    8.542832    0.158189
     51          6           0       -6.117369    7.949742    0.025917
     52          6           0       11.387763    2.039253   -2.556370
     53          6           0       12.782566    2.174566   -2.773877
     54          6           0       13.435208    1.181470   -1.946474
     55          6           0       12.411142    0.479707   -1.260807
     56          6           0      -10.874777   -4.422484   -3.361237
     57          6           0      -10.932261   -3.060449   -3.640483
     58          6           0       -9.853400   -2.219363   -3.319597
     59          6           0       -8.703144   -2.713617   -2.708474
     60          6           0       -7.371081   -7.284567   -1.263619
     61          6           0       -8.019963   -8.515810   -1.325706
     62          6           0       -9.301160   -8.641856   -1.888714
     63          6           0       -9.964049   -7.528007   -2.395063
     64          6           0       -7.587304    9.872711   -0.235170
     65          6           0       -6.511266   10.585044   -0.755933
     66          6           0       -5.251906    9.977266   -0.893923
     67          6           0       -5.036572    8.655570   -0.509768
     68          6           0       -8.038131    5.193054    1.427803
     69          6           0       -9.386174    5.208141    1.779027
     70          6           0      -10.178348    6.354430    1.597538
     71          6           0       -9.629000    7.517075    1.065626
     72          6           0       14.774118    0.841018   -1.721997
     73          6           0       15.073302   -0.177942   -0.822690
     74          6           0       14.046791   -0.853308   -0.140990
     75          6           0       12.706121   -0.535004   -0.346078
     76          6           0       10.460878    2.835072   -3.235265
     77          6           0       10.953104    3.787497   -4.124805
     78          6           0       12.332591    3.944799   -4.341491
     79          6           0       13.250096    3.140015   -3.672983
     80          8           0        0.752800   -3.513478    3.466512
     81         15           0        2.087002   -3.346576    2.862903
     82          8           0        3.306175   -3.139885    3.883898
     83          8           0        2.623924   -4.571518    1.964748
     84          6           0        3.140721   -2.367704    5.114920
     85          6           0        4.192330   -2.841201    6.097508
     86          6           0        2.620663   -5.907289    2.549663
     87          6           0        2.983868   -6.892037    1.456717
     88          1           0       -3.086860    1.175608    0.790349
     89          1           0        1.579813    2.777057    0.440060
     90          1           0       -0.295094    4.397006    0.307406
     91          1           0       -3.238679   -0.731407   -0.053988
     92          1           0       -1.611653   -4.687211    0.091805
     93          1           0        0.510608   -3.786287    0.857257
     94          1           0        4.602087   -3.437040    1.785668
     95          1           0        6.755128   -2.669414    1.000965
     96          1           0        4.960805    1.009515   -0.328704
     97          1           0       -3.045395   -4.806019   -1.741966
     98          1           0       -5.205184   -5.679317   -2.552901
     99          1           0       -7.283503   -2.852120   -0.080339
    100          1           0       -5.124486   -1.959949    0.717545
    101          1           0       -1.938998    5.374772    1.674436
    102          1           0       -3.817916    6.973627    1.647956
    103          1           0       -6.143453    4.210072   -0.671317
    104          1           0       -4.275246    2.599293   -0.630161
    105          1           0        8.021666   -2.246961   -0.906265
    106          1           0       10.215306   -1.482123   -1.734528
    107          1           0        9.299132    2.519773   -0.482596
    108          1           0        7.096383    1.763600    0.332497
    109          1           0      -11.704830   -5.073773   -3.619642
    110          1           0      -11.814982   -2.642715   -4.114582
    111          1           0       -9.913092   -1.160725   -3.554444
    112          1           0       -7.871054   -2.059161   -2.474280
    113          1           0       -6.387229   -7.194641   -0.816970
    114          1           0       -7.523075   -9.394980   -0.926170
    115          1           0       -9.778079   -9.616470   -1.923121
    116          1           0      -10.959133   -7.624498   -2.819846
    117          1           0       -8.563139   10.340102   -0.138913
    118          1           0       -6.644687   11.617651   -1.063243
    119          1           0       -4.426748   10.546613   -1.311555
    120          1           0       -4.064099    8.191333   -0.629507
    121          1           0       -7.431506    4.307699    1.581809
    122          1           0       -9.830600    4.313600    2.205324
    123          1           0      -11.226259    6.332022    1.880178
    124          1           0      -10.239503    8.406154    0.936042
    125          1           0       15.568920    1.369573   -2.240560
    126          1           0       16.107955   -0.451940   -0.641140
    127          1           0       14.300922   -1.639229    0.564191
    128          1           0       11.920593   -1.054114    0.191612
    129          1           0        9.394466    2.713449   -3.081670
    130          1           0       10.252338    4.418755   -4.663225
    131          1           0       12.682910    4.698113   -5.040290
    132          1           0       14.315775    3.255337   -3.849105
    133          1           0        3.261913   -1.311259    4.863173
    134          1           0        2.125855   -2.520637    5.488541
    135          1           0        4.114312   -2.261433    7.022632
    136          1           0        4.053703   -3.898359    6.341227
    137          1           0        5.198316   -2.705430    5.690687
    138          1           0        3.348337   -5.927228    3.367650
    139          1           0        1.625906   -6.104394    2.960033
    140          1           0        3.973969   -6.674679    1.046830
    141          1           0        2.994228   -7.907391    1.865084
    142          1           0        2.255790   -6.854845    0.641950
    143         17           0        0.735471   -0.356558    3.397257
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177859           0.0074020           0.0058192
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13523.7055417013 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.75D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000057    0.000017    0.000370 Ang=  -0.04 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.68068620     A.U. after   10 cycles
            NFock= 10  Conv=0.51D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000023951   -0.000042863    0.000000942
      2        6          -0.000023298    0.000030102    0.000006126
      3        6           0.000045282   -0.000008919    0.000001017
      4        6          -0.000045065   -0.000011635   -0.000011968
      5        6          -0.000005796    0.000010736    0.000001024
      6        6           0.000017436    0.000008126   -0.000011095
      7        6           0.000016636    0.000012039    0.000004840
      8        6           0.000070460    0.000085113    0.000020898
      9        6          -0.000086299   -0.000003527    0.000343098
     10        6           0.000039898   -0.000034034   -0.000077495
     11        6          -0.000004822   -0.000033017   -0.000013742
     12        6          -0.000006080    0.000026603    0.000006053
     13        6           0.000015664    0.000015290    0.000000957
     14        6          -0.000028564   -0.000019636    0.000010229
     15        7          -0.000066926    0.000100866   -0.000129463
     16        6          -0.000029544    0.000010691    0.000015949
     17        6          -0.000109542    0.000017292    0.000011383
     18        7           0.000079527   -0.000054448    0.000034620
     19        6           0.000002666   -0.000000816   -0.000007538
     20        6          -0.000001839   -0.000011313    0.000011388
     21        6          -0.000031987    0.000008304    0.000000133
     22        6           0.000041784   -0.000005052   -0.000010318
     23        6          -0.000032700    0.000015703   -0.000002904
     24        6          -0.000014199   -0.000009083    0.000000856
     25        6           0.000013841    0.000011652   -0.000001295
     26        6           0.000002743    0.000001849    0.000002785
     27        6          -0.000006486    0.000006160   -0.000008589
     28        6           0.000012029    0.000008620    0.000003564
     29        6          -0.000000341   -0.000014312    0.000003128
     30        6           0.000012897    0.000003294   -0.000003893
     31        6          -0.000001065   -0.000008209    0.000004528
     32        6           0.000001243    0.000003854   -0.000002101
     33        6           0.000001527   -0.000004439   -0.000001268
     34        6          -0.000009391    0.000004206    0.000005858
     35        6           0.000015922    0.000004537   -0.000001475
     36        6          -0.000003910    0.000001193   -0.000005468
     37        6           0.000003928    0.000002206    0.000004766
     38        6          -0.000003606    0.000001115    0.000000985
     39        6           0.000004476    0.000002257   -0.000004926
     40        6          -0.000001070   -0.000013348    0.000004673
     41        7           0.000002729   -0.000006709   -0.000000721
     42        7          -0.000015623   -0.000006018   -0.000001533
     43        7          -0.000003547   -0.000004719    0.000001660
     44        6          -0.000007301    0.000001605    0.000021156
     45        6          -0.000020699    0.000001333    0.000022576
     46        6           0.000012525   -0.000007908   -0.000028709
     47        6           0.000018118    0.000002325   -0.000020171
     48        6           0.000002017   -0.000002545   -0.000003939
     49        6           0.000000461    0.000011371    0.000017894
     50        6          -0.000007222   -0.000008389   -0.000017765
     51        6           0.000002590    0.000004601    0.000003562
     52        6          -0.000003011    0.000002178    0.000000948
     53        6           0.000008909   -0.000012622   -0.000016016
     54        6          -0.000003456    0.000019056    0.000015470
     55        6           0.000003051   -0.000003684   -0.000000810
     56        6          -0.000006609    0.000002808    0.000013611
     57        6           0.000000045   -0.000002698   -0.000001619
     58        6           0.000000244    0.000000429    0.000004269
     59        6          -0.000002922    0.000000174    0.000004151
     60        6           0.000002636    0.000000749   -0.000002522
     61        6           0.000002467    0.000000199   -0.000002089
     62        6          -0.000002162    0.000000122    0.000000602
     63        6           0.000008962   -0.000000687   -0.000010574
     64        6           0.000002868    0.000002580    0.000008505
     65        6          -0.000003509    0.000000699   -0.000000947
     66        6           0.000000670   -0.000002370    0.000002145
     67        6          -0.000002116    0.000003985   -0.000001263
     68        6          -0.000004111   -0.000000856   -0.000000681
     69        6           0.000002437    0.000001189   -0.000002425
     70        6          -0.000002820    0.000001772    0.000001043
     71        6           0.000000377   -0.000003420   -0.000008404
     72        6           0.000000387   -0.000006641   -0.000007801
     73        6           0.000001636    0.000003174   -0.000000220
     74        6          -0.000002076   -0.000000236   -0.000002161
     75        6           0.000003612    0.000000400   -0.000002948
     76        6          -0.000000449    0.000003216   -0.000001379
     77        6           0.000000440   -0.000001335    0.000002242
     78        6           0.000002901    0.000000687   -0.000002110
     79        6          -0.000002716    0.000004784    0.000006972
     80        8           0.000004475    0.000004280   -0.000003001
     81       15          -0.000053572   -0.000000384   -0.000024522
     82        8           0.000052337   -0.000035328   -0.000053605
     83        8           0.000041087    0.000006886    0.000015140
     84        6          -0.000010136    0.000083420    0.000079663
     85        6          -0.000002159    0.000005191    0.000002583
     86        6          -0.000009612   -0.000007656   -0.000006398
     87        6          -0.000007010   -0.000002933   -0.000001600
     88        1           0.000001983    0.000006513   -0.000002840
     89        1           0.000001774   -0.000002113   -0.000000203
     90        1          -0.000003739    0.000000727    0.000005772
     91        1           0.000006852   -0.000002053    0.000003604
     92        1           0.000003266   -0.000001428   -0.000001469
     93        1           0.000006334   -0.000002102    0.000006511
     94        1          -0.000007020   -0.000013453    0.000004770
     95        1           0.000000453   -0.000000603   -0.000003666
     96        1          -0.000003841    0.000003999    0.000002445
     97        1          -0.000000018   -0.000002345   -0.000001448
     98        1           0.000001338   -0.000001110    0.000000694
     99        1          -0.000000891    0.000001677   -0.000000517
    100        1          -0.000003302    0.000000246    0.000002023
    101        1           0.000001552    0.000002750   -0.000001228
    102        1           0.000001752   -0.000002116    0.000001356
    103        1           0.000002257   -0.000000617   -0.000002269
    104        1          -0.000001347   -0.000003434    0.000000144
    105        1           0.000001763   -0.000000839    0.000001100
    106        1          -0.000001016   -0.000001673   -0.000001863
    107        1          -0.000001544   -0.000001837    0.000002874
    108        1          -0.000002993    0.000002388   -0.000000854
    109        1           0.000000663   -0.000000972   -0.000002190
    110        1          -0.000001012    0.000000253    0.000001175
    111        1           0.000000269    0.000000423   -0.000002036
    112        1           0.000001461    0.000000510    0.000002330
    113        1          -0.000000063    0.000001224    0.000000238
    114        1          -0.000000630   -0.000001083    0.000001850
    115        1           0.000000855   -0.000000714   -0.000001039
    116        1          -0.000001508   -0.000000564    0.000001161
    117        1          -0.000001380   -0.000001534   -0.000000696
    118        1           0.000000363    0.000000825    0.000000926
    119        1           0.000001125   -0.000000316   -0.000001243
    120        1          -0.000000429    0.000001436   -0.000002862
    121        1          -0.000000310   -0.000001554    0.000003098
    122        1           0.000001115   -0.000000852    0.000001173
    123        1          -0.000000518   -0.000000816   -0.000001283
    124        1           0.000000020    0.000001707    0.000000331
    125        1          -0.000000864    0.000002292    0.000000006
    126        1           0.000000597   -0.000001363   -0.000001047
    127        1          -0.000001094   -0.000000413    0.000001352
    128        1          -0.000001329   -0.000001416    0.000004335
    129        1          -0.000000053    0.000000256   -0.000002833
    130        1          -0.000001153   -0.000000948   -0.000001149
    131        1          -0.000000726    0.000001104    0.000000760
    132        1           0.000001355   -0.000000847   -0.000000004
    133        1          -0.000049331   -0.000010495   -0.000040496
    134        1           0.000003860   -0.000059241    0.000034301
    135        1          -0.000001092    0.000000836   -0.000000645
    136        1          -0.000000283    0.000001737   -0.000000921
    137        1          -0.000001894    0.000001005   -0.000001607
    138        1           0.000006713    0.000002102   -0.000003653
    139        1          -0.000000227    0.000001686    0.000005490
    140        1           0.000000711    0.000001460    0.000000440
    141        1           0.000000438    0.000001267    0.000000736
    142        1          -0.000000512   -0.000001088   -0.000000518
    143       17           0.000126728   -0.000087718   -0.000214938
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000343098 RMS     0.000027942

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000170278 RMS     0.000011813
 Search for a local minimum.
 Step number  28 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   18   19   20   21   22
                                                     23   24   25   26   27
                                                     28
 DE= -9.02D-07 DEPred=-1.98D-07 R= 4.56D+00
 Trust test= 4.56D+00 RLast= 5.09D-02 DXMaxT set to 6.22D-01
 ITU=  0  1 -1  1  1  1  1  1  1 -1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00113   0.00367   0.00418   0.00419   0.00717
     Eigenvalues ---    0.00753   0.00818   0.01609   0.01706   0.01948
     Eigenvalues ---    0.02308   0.02474   0.02570   0.02622   0.02632
     Eigenvalues ---    0.02691   0.02705   0.02708   0.02714   0.02719
     Eigenvalues ---    0.02724   0.02726   0.02729   0.02734   0.02737
     Eigenvalues ---    0.02751   0.02762   0.02770   0.02771   0.02775
     Eigenvalues ---    0.02775   0.02778   0.02782   0.02785   0.02786
     Eigenvalues ---    0.02788   0.02789   0.02791   0.02791   0.02792
     Eigenvalues ---    0.02792   0.02793   0.02794   0.02795   0.02797
     Eigenvalues ---    0.02801   0.02802   0.02803   0.02804   0.02805
     Eigenvalues ---    0.02807   0.02807   0.02808   0.02808   0.02809
     Eigenvalues ---    0.02811   0.02811   0.02813   0.02816   0.02817
     Eigenvalues ---    0.02817   0.02818   0.02818   0.02819   0.02820
     Eigenvalues ---    0.02822   0.02829   0.02836   0.02842   0.02844
     Eigenvalues ---    0.02845   0.02845   0.02846   0.02847   0.02849
     Eigenvalues ---    0.02850   0.02854   0.02866   0.02867   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02872   0.02873   0.02875
     Eigenvalues ---    0.02876   0.02877   0.02878   0.02878   0.02879
     Eigenvalues ---    0.02881   0.02882   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02886   0.02886   0.02887
     Eigenvalues ---    0.02892   0.02893   0.02895   0.02896   0.02897
     Eigenvalues ---    0.02898   0.02899   0.02899   0.02899   0.02903
     Eigenvalues ---    0.02906   0.02910   0.02916   0.02942   0.02944
     Eigenvalues ---    0.02949   0.02971   0.03024   0.03025   0.03026
     Eigenvalues ---    0.03089   0.03133   0.03133   0.03134   0.03142
     Eigenvalues ---    0.03152   0.03180   0.03248   0.03402   0.03588
     Eigenvalues ---    0.03989   0.04638   0.04711   0.05377   0.05558
     Eigenvalues ---    0.05578   0.05613   0.05726   0.05743   0.05767
     Eigenvalues ---    0.07488   0.08895   0.09344   0.10496   0.11040
     Eigenvalues ---    0.11429   0.11609   0.12616   0.13660   0.15212
     Eigenvalues ---    0.15612   0.15799   0.15860   0.15935   0.15950
     Eigenvalues ---    0.15972   0.15985   0.15986   0.15986   0.15987
     Eigenvalues ---    0.15988   0.15993   0.15996   0.15996   0.15996
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16003   0.16004
     Eigenvalues ---    0.16006   0.16011   0.16041   0.16066   0.16107
     Eigenvalues ---    0.16183   0.16783   0.17285   0.18730   0.19860
     Eigenvalues ---    0.20893   0.21963   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22000   0.22002   0.22002
     Eigenvalues ---    0.22004   0.22379   0.22412   0.22503   0.22600
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22603   0.22695
     Eigenvalues ---    0.22947   0.22966   0.22990   0.23144   0.23246
     Eigenvalues ---    0.23411   0.23510   0.23676   0.23972   0.24000
     Eigenvalues ---    0.24189   0.24473   0.24486   0.24488   0.24490
     Eigenvalues ---    0.24531   0.24535   0.24758   0.24890   0.24981
     Eigenvalues ---    0.24983   0.24984   0.24985   0.24986   0.24987
     Eigenvalues ---    0.24990   0.24995   0.24998   0.25000   0.25000
     Eigenvalues ---    0.25002   0.25003   0.25010   0.25018   0.25025
     Eigenvalues ---    0.25066   0.25112   0.25415   0.26315   0.27940
     Eigenvalues ---    0.28196   0.29174   0.29780   0.29788   0.30481
     Eigenvalues ---    0.32016   0.32098   0.32128   0.32141   0.32148
     Eigenvalues ---    0.32166   0.32180   0.32219   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33296   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33457   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33633   0.33638
     Eigenvalues ---    0.33640   0.33643   0.33647   0.33664   0.33702
     Eigenvalues ---    0.33722   0.33741   0.33819   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33897   0.33922   0.33940
     Eigenvalues ---    0.33947   0.33955   0.33960   0.34431   0.34453
     Eigenvalues ---    0.34822   0.34920   0.35047   0.38411   0.40410
     Eigenvalues ---    0.41665   0.43148   0.44425   0.44430   0.44439
     Eigenvalues ---    0.44446   0.45447   0.46849   0.48717   0.48942
     Eigenvalues ---    0.48974   0.49082   0.49248   0.49361   0.49762
     Eigenvalues ---    0.49798   0.49809   0.49832   0.49853   0.49926
     Eigenvalues ---    0.50006   0.50179   0.50286   0.50399   0.50408
     Eigenvalues ---    0.50610   0.50614   0.50616   0.51332   0.51668
     Eigenvalues ---    0.52023   0.52413   0.52772   0.52883   0.53315
     Eigenvalues ---    0.54065   0.54113   0.54199   0.54201   0.54206
     Eigenvalues ---    0.54322   0.54428   0.54926   0.55120   0.55301
     Eigenvalues ---    0.55326   0.55347   0.55357   0.55394   0.55422
     Eigenvalues ---    0.55426   0.55489   0.55555   0.55595   0.55697
     Eigenvalues ---    0.55705   0.55757   0.55863   0.55939   0.55948
     Eigenvalues ---    0.56147   0.56152   0.56153   0.56176   0.56225
     Eigenvalues ---    0.56269   0.56308   0.56382   0.56662   0.56664
     Eigenvalues ---    0.56668   0.56670   0.56675   0.56682   0.56845
     Eigenvalues ---    0.56901   0.56914   0.57090   0.57168   0.57176
     Eigenvalues ---    0.57182   0.57194   0.57199   0.57215   0.57620
     Eigenvalues ---    0.61796   0.62597   0.65968   0.66058   0.67648
     Eigenvalues ---    0.67657   0.67661   0.68815   0.69918   0.70079
     Eigenvalues ---    0.72130   0.75055   0.80067
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    28   27   26   25   24   23   22   21   20   19
 RFO step:  Lambda=-6.67202944D-06.
 DIIS inversion failure, remove point  10.
 RFO-DIIS uses    9 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.49320   -0.14187   -0.27620   -0.09199   -0.01998
                  RFO-DIIS coefs:    0.21405   -0.13862   -0.10942    0.07084    0.00000
 Iteration  1 RMS(Cart)=  0.01391053 RMS(Int)=  0.00001843
 Iteration  2 RMS(Cart)=  0.00005715 RMS(Int)=  0.00001643
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00001643
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64725  -0.00002   0.00013  -0.00001   0.00012   2.64737
    R2        2.66039   0.00001  -0.00003  -0.00000  -0.00003   2.66037
    R3        2.80226   0.00003   0.00008  -0.00001   0.00007   2.80233
    R4        2.64589   0.00002  -0.00014   0.00004  -0.00010   2.64579
    R5        2.04881  -0.00001   0.00004  -0.00001   0.00003   2.04884
    R6        2.66503  -0.00003  -0.00020   0.00005  -0.00017   2.66486
    R7        2.79031   0.00000   0.00024   0.00005   0.00027   2.79058
    R8        2.64661   0.00001  -0.00006  -0.00001  -0.00007   2.64654
    R9        2.78132   0.00001   0.00033   0.00002   0.00035   2.78167
   R10        2.62024  -0.00001   0.00014  -0.00001   0.00012   2.62037
   R11        2.04841   0.00000   0.00004  -0.00001   0.00004   2.04845
   R12        2.05096   0.00000   0.00000  -0.00000   0.00000   2.05097
   R13        2.67874  -0.00001  -0.00030   0.00003  -0.00027   2.67847
   R14        2.64436   0.00002  -0.00005   0.00005   0.00000   2.64436
   R15        2.84242  -0.00010   0.00263   0.00027   0.00292   2.84534
   R16        2.64408   0.00000  -0.00045  -0.00003  -0.00048   2.64361
   R17        2.84783  -0.00001   0.00260   0.00031   0.00294   2.85077
   R18        2.70238  -0.00007   0.00289   0.00049   0.00341   2.70579
   R19        3.92254  -0.00017  -0.02949  -0.00021  -0.02968   3.89286
   R20        2.43235  -0.00001  -0.00080  -0.00004  -0.00082   2.43153
   R21        2.64722  -0.00002   0.00004  -0.00003   0.00001   2.64723
   R22        2.04793  -0.00001   0.00006  -0.00003   0.00003   2.04796
   R23        2.64944   0.00000  -0.00019  -0.00003  -0.00022   2.64922
   R24        2.80099   0.00001   0.00000   0.00005   0.00005   2.80104
   R25        2.62491  -0.00002   0.00036  -0.00003   0.00034   2.62524
   R26        2.05043   0.00000   0.00001   0.00002   0.00003   2.05046
   R27        2.04123   0.00001  -0.00009   0.00003  -0.00006   2.04117
   R28        2.69788  -0.00007   0.00039  -0.00003   0.00034   2.69822
   R29        3.32223   0.00000  -0.00265   0.00014  -0.00251   3.31972
   R30        5.35995  -0.00009  -0.01647  -0.00010  -0.01658   5.34337
   R31        2.67081  -0.00004  -0.00045   0.00006  -0.00042   2.67039
   R32        2.65261  -0.00001  -0.00005  -0.00003  -0.00007   2.65254
   R33        2.61759  -0.00010   0.00065  -0.00003   0.00060   2.61820
   R34        2.64943   0.00002  -0.00031   0.00003  -0.00028   2.64915
   R35        2.62546  -0.00001   0.00025  -0.00002   0.00023   2.62569
   R36        2.03792   0.00001  -0.00003   0.00003  -0.00000   2.03791
   R37        2.65821   0.00001  -0.00031   0.00001  -0.00029   2.65791
   R38        2.05124   0.00000   0.00002  -0.00000   0.00002   2.05125
   R39        2.63426  -0.00001   0.00022  -0.00001   0.00021   2.63446
   R40        2.80130   0.00001  -0.00001   0.00000  -0.00001   2.80130
   R41        2.04946   0.00000   0.00002   0.00001   0.00003   2.04949
   R42        2.65589  -0.00000  -0.00002   0.00001  -0.00000   2.65589
   R43        2.65574  -0.00001  -0.00003   0.00001  -0.00002   2.65572
   R44        2.65547   0.00000   0.00002  -0.00001   0.00001   2.65547
   R45        2.65556  -0.00001   0.00000  -0.00002  -0.00002   2.65554
   R46        2.65545   0.00000   0.00002  -0.00000   0.00002   2.65547
   R47        2.65559  -0.00001   0.00000  -0.00001  -0.00001   2.65559
   R48        2.62902   0.00000  -0.00001   0.00002   0.00001   2.62903
   R49        2.05131   0.00000  -0.00001   0.00001   0.00000   2.05131
   R50        2.64733  -0.00000  -0.00002  -0.00001  -0.00003   2.64730
   R51        2.04999   0.00000   0.00001   0.00000   0.00001   2.05000
   R52        2.64705  -0.00000  -0.00004  -0.00001  -0.00004   2.64700
   R53        2.67975   0.00001   0.00009   0.00001   0.00010   2.67985
   R54        2.62930   0.00001   0.00001   0.00002   0.00003   2.62933
   R55        2.04997   0.00000   0.00001   0.00000   0.00002   2.04999
   R56        2.05148   0.00000   0.00000   0.00001   0.00001   2.05149
   R57        2.62921   0.00000  -0.00000  -0.00000  -0.00000   2.62921
   R58        2.05122   0.00000  -0.00000   0.00001   0.00000   2.05122
   R59        2.64695   0.00000   0.00002  -0.00000   0.00002   2.64697
   R60        2.05001  -0.00000  -0.00000  -0.00000  -0.00000   2.05001
   R61        2.64698  -0.00000   0.00002  -0.00002   0.00000   2.64698
   R62        2.68020   0.00001  -0.00003   0.00000  -0.00003   2.68018
   R63        2.62915   0.00001   0.00000   0.00000   0.00001   2.62916
   R64        2.05004  -0.00000  -0.00000   0.00001   0.00000   2.05004
   R65        2.05142   0.00000  -0.00000   0.00001   0.00000   2.05143
   R66        2.62961   0.00000  -0.00001   0.00001   0.00000   2.62961
   R67        2.05153   0.00000  -0.00000   0.00000  -0.00000   2.05153
   R68        2.64648   0.00000   0.00001  -0.00001  -0.00001   2.64647
   R69        2.05014   0.00000   0.00000   0.00001   0.00001   2.05016
   R70        2.64676  -0.00000  -0.00002   0.00000  -0.00002   2.64674
   R71        2.68128   0.00000   0.00007  -0.00001   0.00007   2.68135
   R72        2.62927   0.00000   0.00001   0.00001   0.00001   2.62929
   R73        2.05012  -0.00000   0.00001  -0.00000   0.00001   2.05013
   R74        2.05136   0.00000   0.00000   0.00001   0.00001   2.05137
   R75        2.64737   0.00001   0.00004   0.00000   0.00004   2.64741
   R76        2.64735   0.00001   0.00004   0.00001   0.00005   2.64740
   R77        2.64763  -0.00000  -0.00004  -0.00001  -0.00005   2.64758
   R78        2.64773  -0.00001  -0.00005  -0.00001  -0.00006   2.64767
   R79        2.64687   0.00001  -0.00003   0.00002  -0.00002   2.64685
   R80        2.64651   0.00001  -0.00002   0.00001  -0.00002   2.64650
   R81        2.67967   0.00000   0.00001   0.00001   0.00002   2.67969
   R82        2.64107  -0.00000  -0.00002   0.00001  -0.00001   2.64106
   R83        2.73645  -0.00000  -0.00000   0.00000   0.00000   2.73645
   R84        2.64484   0.00000   0.00002  -0.00001   0.00001   2.64485
   R85        2.67963   0.00001   0.00001   0.00001   0.00002   2.67965
   R86        2.64487   0.00000   0.00001  -0.00001   0.00000   2.64487
   R87        2.64105  -0.00000  -0.00001   0.00000  -0.00001   2.64104
   R88        2.67972   0.00000  -0.00001   0.00000  -0.00000   2.67972
   R89        2.64110   0.00000  -0.00000   0.00000  -0.00000   2.64110
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   A162       1.86520   0.00000  -0.00001   0.00001  -0.00000   1.86519
   A163       2.33176  -0.00000   0.00005  -0.00003   0.00002   2.33178
   A164       2.08616   0.00000  -0.00004   0.00003  -0.00001   2.08615
   A165       1.90170   0.00000   0.00001  -0.00000   0.00001   1.90171
   A166       2.25954   0.00000  -0.00004   0.00002  -0.00002   2.25952
   A167       2.12149  -0.00000   0.00003  -0.00002   0.00001   2.12150
   A168       2.07983   0.00000   0.00000   0.00000   0.00000   2.07983
   A169       2.10021  -0.00000   0.00005  -0.00004   0.00001   2.10022
   A170       2.10314  -0.00000  -0.00005   0.00003  -0.00002   2.10312
   A171       2.10406   0.00000   0.00003  -0.00001   0.00002   2.10408
   A172       2.09194  -0.00000  -0.00005   0.00003  -0.00002   2.09192
   A173       2.08717  -0.00000   0.00002  -0.00002   0.00000   2.08717
   A174       2.11971   0.00000  -0.00002   0.00002  -0.00001   2.11970
   A175       2.08508  -0.00000  -0.00000   0.00000  -0.00000   2.08508
   A176       2.07839   0.00000   0.00003  -0.00002   0.00001   2.07840
   A177       2.05489  -0.00000  -0.00001  -0.00001  -0.00002   2.05487
   A178       2.11734  -0.00000  -0.00005   0.00001  -0.00004   2.11729
   A179       2.11094   0.00000   0.00007   0.00000   0.00007   2.11100
   A180       2.05476  -0.00000  -0.00002  -0.00000  -0.00002   2.05474
   A181       2.11740  -0.00000  -0.00005   0.00001  -0.00004   2.11736
   A182       2.11100   0.00000   0.00007  -0.00001   0.00006   2.11106
   A183       2.11979  -0.00000  -0.00003   0.00001  -0.00001   2.11978
   A184       2.07825   0.00000   0.00003  -0.00001   0.00002   2.07826
   A185       2.08514  -0.00000  -0.00000  -0.00000  -0.00000   2.08514
   A186       2.10406   0.00000   0.00003  -0.00001   0.00002   2.10408
   A187       2.08726  -0.00000   0.00002  -0.00002  -0.00000   2.08726
   A188       2.09185  -0.00000  -0.00005   0.00003  -0.00002   2.09183
   A189       2.07981   0.00000  -0.00000   0.00001   0.00000   2.07981
   A190       2.10021  -0.00000   0.00005  -0.00003   0.00001   2.10022
   A191       2.10316  -0.00000  -0.00005   0.00003  -0.00002   2.10314
   A192       2.07983   0.00000   0.00000   0.00000   0.00000   2.07983
   A193       2.10020  -0.00000   0.00005  -0.00005   0.00000   2.10020
   A194       2.10314   0.00000  -0.00005   0.00005  -0.00000   2.10314
   A195       2.10409  -0.00000   0.00002  -0.00003  -0.00001   2.10408
   A196       2.09187   0.00000  -0.00005   0.00004  -0.00001   2.09186
   A197       2.08722   0.00000   0.00003  -0.00001   0.00001   2.08724
   A198       2.11977   0.00000  -0.00003   0.00003   0.00000   2.11977
   A199       2.08515   0.00000  -0.00000   0.00001   0.00001   2.08516
   A200       2.07826  -0.00000   0.00003  -0.00004  -0.00001   2.07825
   A201       2.05476   0.00000   0.00001  -0.00001   0.00000   2.05477
   A202       2.11730   0.00000  -0.00002   0.00003   0.00001   2.11731
   A203       2.11110  -0.00000   0.00001  -0.00003  -0.00001   2.11109
   A204       2.05476   0.00000   0.00001  -0.00001   0.00000   2.05477
   A205       2.11726   0.00000  -0.00003   0.00004   0.00001   2.11727
   A206       2.11113  -0.00000   0.00002  -0.00003  -0.00001   2.11112
   A207       2.11974   0.00000  -0.00003   0.00003   0.00000   2.11975
   A208       2.07833  -0.00000   0.00004  -0.00004  -0.00001   2.07832
   A209       2.08511   0.00000  -0.00001   0.00001   0.00001   2.08511
   A210       2.10411  -0.00000   0.00003  -0.00003  -0.00000   2.10411
   A211       2.08717   0.00000   0.00003  -0.00001   0.00001   2.08718
   A212       2.09189   0.00000  -0.00005   0.00004  -0.00001   2.09188
   A213       2.07981   0.00000   0.00000  -0.00000   0.00000   2.07981
   A214       2.10021  -0.00000   0.00005  -0.00005   0.00001   2.10022
   A215       2.10315   0.00000  -0.00006   0.00005  -0.00001   2.10314
   A216       2.07993   0.00000   0.00001  -0.00000   0.00000   2.07993
   A217       2.10019  -0.00000   0.00005  -0.00005   0.00001   2.10020
   A218       2.10305   0.00000  -0.00006   0.00005  -0.00001   2.10305
   A219       2.10410  -0.00000   0.00003  -0.00002   0.00000   2.10410
   A220       2.09184   0.00000  -0.00005   0.00004  -0.00001   2.09182
   A221       2.08724   0.00000   0.00003  -0.00002   0.00001   2.08725
   A222       2.11973   0.00000  -0.00003   0.00003   0.00000   2.11973
   A223       2.08502   0.00000  -0.00001   0.00001   0.00000   2.08502
   A224       2.07843  -0.00000   0.00004  -0.00004  -0.00000   2.07843
   A225       2.05482  -0.00000   0.00000  -0.00001  -0.00001   2.05481
   A226       2.11677   0.00000  -0.00006   0.00004  -0.00002   2.11675
   A227       2.11158  -0.00000   0.00005  -0.00002   0.00003   2.11161
   A228       2.05459   0.00000   0.00000  -0.00001  -0.00000   2.05458
   A229       2.11717   0.00000  -0.00006   0.00003  -0.00002   2.11714
   A230       2.11141  -0.00000   0.00005  -0.00003   0.00003   2.11144
   A231       2.11982   0.00000  -0.00003   0.00003   0.00000   2.11982
   A232       2.07827  -0.00000   0.00003  -0.00004  -0.00000   2.07827
   A233       2.08509  -0.00000  -0.00001   0.00001   0.00000   2.08509
   A234       2.10417  -0.00000   0.00003  -0.00003   0.00000   2.10418
   A235       2.08716   0.00000   0.00003  -0.00002   0.00001   2.08717
   A236       2.09184   0.00000  -0.00005   0.00004  -0.00001   2.09183
   A237       2.07977   0.00000   0.00000  -0.00000   0.00000   2.07977
   A238       2.10027  -0.00000   0.00005  -0.00005   0.00001   2.10027
   A239       2.10314   0.00000  -0.00006   0.00005  -0.00001   2.10313
   A240       2.01723  -0.00000  -0.00056  -0.00003  -0.00061   2.01661
   A241       1.84511  -0.00000   0.00075   0.00008   0.00083   1.84594
   A242       1.73028   0.00001   0.00147   0.00001   0.00151   1.73179
   A243       2.02870   0.00000  -0.00066  -0.00004  -0.00070   2.02801
   A244       2.03076   0.00000  -0.00003   0.00010   0.00007   2.03082
   A245       1.77172  -0.00001  -0.00065  -0.00011  -0.00077   1.77095
   A246       2.11524  -0.00003  -0.00078  -0.00021  -0.00106   2.11418
   A247       2.06250   0.00000   0.00015  -0.00001   0.00014   2.06264
   A248       1.87795   0.00001  -0.00002   0.00004   0.00009   1.87803
   A249       1.87965  -0.00001   0.00065  -0.00015   0.00048   1.88013
   A250       1.89559  -0.00000  -0.00004   0.00003  -0.00007   1.89552
   A251       1.95472   0.00000  -0.00048  -0.00004  -0.00055   1.95416
   A252       1.95986  -0.00001  -0.00024  -0.00002  -0.00025   1.95961
   A253       1.89360   0.00001   0.00018   0.00013   0.00035   1.89394
   A254       1.91041  -0.00000   0.00039  -0.00020   0.00019   1.91061
   A255       1.93758   0.00000  -0.00032   0.00016  -0.00016   1.93742
   A256       1.93738  -0.00000  -0.00017   0.00001  -0.00015   1.93722
   A257       1.89083   0.00000   0.00007   0.00001   0.00008   1.89091
   A258       1.89044   0.00000   0.00006   0.00001   0.00007   1.89051
   A259       1.89599   0.00000  -0.00002   0.00000  -0.00001   1.89598
   A260       1.88120   0.00000   0.00001  -0.00001   0.00001   1.88121
   A261       1.89108  -0.00000   0.00002  -0.00004  -0.00003   1.89106
   A262       1.89393   0.00000   0.00003   0.00000   0.00003   1.89396
   A263       1.94732   0.00000  -0.00002   0.00004   0.00002   1.94734
   A264       1.95134  -0.00000  -0.00002  -0.00001  -0.00003   1.95131
   A265       1.89734   0.00000  -0.00002   0.00002  -0.00000   1.89734
   A266       1.93718  -0.00000  -0.00002  -0.00002  -0.00003   1.93714
   A267       1.91351  -0.00000   0.00001  -0.00001   0.00000   1.91351
   A268       1.93455   0.00000   0.00003  -0.00000   0.00003   1.93458
   A269       1.89202   0.00000   0.00000   0.00001   0.00001   1.89203
   A270       1.89325   0.00000  -0.00003   0.00002  -0.00001   1.89324
   A271       1.89223   0.00000  -0.00001   0.00001   0.00000   1.89223
   A272       1.89554   0.00002   0.00139   0.00036   0.00171   1.89725
   A273       1.65340  -0.00003  -0.00185  -0.00036  -0.00226   1.65114
   A274       1.72871   0.00000  -0.00123   0.00016  -0.00114   1.72757
   A275       1.81149   0.00000   0.00177   0.00013   0.00179   1.81328
   A276       1.23415   0.00002  -0.00250   0.00002  -0.00252   1.23163
   A277       1.33908   0.00002  -0.00081   0.00002  -0.00087   1.33821
   A278       0.55755   0.00000  -0.00133   0.00005  -0.00126   0.55630
    D1        0.01096  -0.00000   0.00006  -0.00010  -0.00004   0.01092
    D2        3.11084  -0.00000   0.00027  -0.00001   0.00027   3.11112
    D3       -3.13032  -0.00000   0.00006  -0.00017  -0.00011  -3.13043
    D4       -0.03043  -0.00000   0.00027  -0.00008   0.00020  -0.03023
    D5       -0.03108   0.00000   0.00002   0.00005   0.00007  -0.03101
    D6        3.10423   0.00000   0.00003   0.00002   0.00005   3.10429
    D7        3.11019   0.00000   0.00002   0.00012   0.00014   3.11033
    D8       -0.03768   0.00000   0.00003   0.00009   0.00013  -0.03755
    D9        2.49463  -0.00000   0.00035  -0.00012   0.00023   2.49487
   D10       -0.64757  -0.00000   0.00031  -0.00013   0.00018  -0.64740
   D11       -0.64663  -0.00000   0.00035  -0.00019   0.00016  -0.64647
   D12        2.49435  -0.00000   0.00031  -0.00020   0.00010   2.49445
   D13        0.03390  -0.00000  -0.00011   0.00006  -0.00005   0.03384
   D14       -3.02184  -0.00000  -0.00014   0.00020   0.00007  -3.02177
   D15       -3.06567  -0.00000  -0.00034  -0.00003  -0.00037  -3.06604
   D16        0.16178  -0.00000  -0.00037   0.00011  -0.00025   0.16153
   D17       -0.05921   0.00000   0.00009   0.00002   0.00012  -0.05909
   D18        3.04855   0.00000   0.00010   0.00026   0.00036   3.04892
   D19        3.00067   0.00000   0.00016  -0.00012   0.00004   3.00071
   D20       -0.17475   0.00000   0.00017   0.00012   0.00028  -0.17447
   D21       -2.91527  -0.00000   0.00316  -0.00048   0.00268  -2.91258
   D22        0.35582   0.00000   0.00340  -0.00034   0.00307   0.35890
   D23        0.31177   0.00000   0.00310  -0.00033   0.00278   0.31455
   D24       -2.70033   0.00001   0.00334  -0.00019   0.00317  -2.69716
   D25        0.04028  -0.00000  -0.00003  -0.00007  -0.00010   0.04018
   D26       -3.11525  -0.00000   0.00033  -0.00008   0.00025  -3.11500
   D27       -3.06748  -0.00000  -0.00003  -0.00030  -0.00033  -3.06781
   D28        0.06018  -0.00000   0.00034  -0.00032   0.00002   0.06019
   D29       -0.38430   0.00000  -0.00652   0.00011  -0.00642  -0.39072
   D30        2.82912   0.00001  -0.00502  -0.00024  -0.00527   2.82385
   D31        2.72335   0.00000  -0.00651   0.00034  -0.00618   2.71717
   D32       -0.34641   0.00001  -0.00501  -0.00001  -0.00503  -0.35144
   D33        0.00567  -0.00000  -0.00003   0.00003   0.00000   0.00567
   D34       -3.12965  -0.00000  -0.00004   0.00006   0.00002  -3.12963
   D35       -3.12163  -0.00000  -0.00040   0.00004  -0.00036  -3.12198
   D36        0.02624  -0.00000  -0.00042   0.00007  -0.00034   0.02590
   D37        0.12902   0.00000   0.00040   0.00030   0.00072   0.12975
   D38       -2.91625   0.00000  -0.00083   0.00023  -0.00058  -2.91683
   D39       -3.13977  -0.00000   0.00012   0.00017   0.00030  -3.13947
   D40        0.09814  -0.00000  -0.00112   0.00010  -0.00101   0.09713
   D41        2.98610  -0.00001   0.00057  -0.00024   0.00032   2.98641
   D42       -0.07291  -0.00000   0.00068  -0.00030   0.00037  -0.07253
   D43       -0.02739  -0.00000   0.00085  -0.00012   0.00073  -0.02666
   D44       -3.08640   0.00000   0.00096  -0.00017   0.00079  -3.08561
   D45       -0.65509  -0.00001  -0.00550   0.00001  -0.00547  -0.66056
   D46       -3.01605   0.00005   0.00604   0.00011   0.00610  -3.00995
   D47        1.17812   0.00001   0.00123   0.00021   0.00148   1.17961
   D48        2.38603  -0.00001  -0.00426   0.00009  -0.00414   2.38188
   D49        0.02506   0.00005   0.00729   0.00018   0.00743   0.03249
   D50       -2.06394   0.00001   0.00248   0.00028   0.00281  -2.06113
   D51       -0.09463   0.00000   0.00055   0.00001   0.00055  -0.09408
   D52        3.01915   0.00000   0.00075   0.00013   0.00088   3.02003
   D53       -3.13587   0.00000  -0.00070  -0.00006  -0.00077  -3.13664
   D54       -0.02209   0.00000  -0.00050   0.00006  -0.00044  -0.02254
   D55        0.77604   0.00001   0.00838  -0.00020   0.00815   0.78418
   D56       -2.44148  -0.00000   0.00674   0.00018   0.00688  -2.43460
   D57       -3.12748  -0.00004  -0.00311  -0.00026  -0.00332  -3.13081
   D58       -0.06181  -0.00004  -0.00474   0.00011  -0.00459  -0.06640
   D59       -1.16927   0.00003   0.00403  -0.00034   0.00370  -1.16557
   D60        1.89641   0.00002   0.00240   0.00004   0.00243   1.89884
   D61        2.38184   0.00000  -0.00934  -0.00011  -0.00942   2.37242
   D62       -1.11175  -0.00002  -0.00665  -0.00010  -0.00677  -1.11853
   D63        0.05404   0.00005   0.00324   0.00002   0.00323   0.05728
   D64        2.84364   0.00002   0.00593   0.00003   0.00588   2.84952
   D65        2.40432   0.00001   0.00393  -0.00005   0.00379   2.40811
   D66        1.84133   0.00000   0.00561  -0.00013   0.00550   1.84682
   D67       -1.88073   0.00002   0.00295  -0.00005   0.00280  -1.87793
   D68       -2.44372   0.00001   0.00463  -0.00013   0.00451  -2.43922
   D69        3.10216   0.00001   0.00106   0.00016   0.00121   3.10337
   D70        0.03903   0.00002   0.00280  -0.00023   0.00257   0.04159
   D71       -0.04907  -0.00000   0.00005   0.00002   0.00006  -0.04901
   D72        3.13230   0.00000   0.00000  -0.00005  -0.00004   3.13225
   D73        3.01043  -0.00000  -0.00008   0.00007  -0.00001   3.01042
   D74       -0.09139  -0.00000  -0.00012   0.00001  -0.00012  -0.09151
   D75        0.05433   0.00000  -0.00066   0.00010  -0.00056   0.05377
   D76       -3.10891   0.00000  -0.00078   0.00010  -0.00068  -3.10959
   D77       -3.12729   0.00000  -0.00062   0.00016  -0.00045  -3.12774
   D78       -0.00734   0.00000  -0.00073   0.00016  -0.00057  -0.00791
   D79        2.47862   0.00000   0.00010   0.00008   0.00018   2.47880
   D80       -0.66431   0.00000   0.00018   0.00007   0.00024  -0.66407
   D81       -0.62167   0.00000   0.00006   0.00002   0.00008  -0.62159
   D82        2.51858   0.00000   0.00014  -0.00000   0.00014   2.51872
   D83        0.01751  -0.00000   0.00037  -0.00011   0.00026   0.01777
   D84       -3.09685  -0.00000   0.00016  -0.00023  -0.00007  -3.09692
   D85       -3.10261  -0.00000   0.00048  -0.00011   0.00038  -3.10224
   D86        0.06621  -0.00000   0.00028  -0.00023   0.00005   0.06625
   D87       -0.03021  -0.00002  -0.00036  -0.00001  -0.00039  -0.03060
   D88       -3.12712  -0.00002  -0.00098  -0.00003  -0.00103  -3.12816
   D89       -2.81493  -0.00000  -0.00303  -0.00001  -0.00303  -2.81796
   D90        0.37135   0.00000  -0.00366  -0.00003  -0.00367   0.36768
   D91       -0.93061   0.00001   0.00435   0.00001   0.00441  -0.92621
   D92        2.25566   0.00001   0.00373  -0.00001   0.00376   2.25942
   D93        0.13804   0.00002  -0.00101  -0.00001  -0.00102   0.13702
   D94       -2.13226   0.00002  -0.00034   0.00000  -0.00032  -2.13258
   D95        2.32201   0.00003  -0.00032   0.00010  -0.00021   2.32180
   D96        2.92725   0.00001   0.00182  -0.00003   0.00176   2.92901
   D97        0.65695   0.00001   0.00248  -0.00002   0.00246   0.65941
   D98       -1.17196   0.00002   0.00251   0.00008   0.00257  -1.16939
   D99        0.76104  -0.00002  -0.00634  -0.00004  -0.00639   0.75465
   D100      -1.50927  -0.00002  -0.00567  -0.00003  -0.00570  -1.51496
   D101       2.94501  -0.00001  -0.00565   0.00007  -0.00558   2.93943
   D102      -1.13451   0.00001  -0.00127  -0.00020  -0.00154  -1.13604
   D103      -1.70594   0.00001   0.00014  -0.00026  -0.00016  -1.70611
   D104       1.03080  -0.00000   0.00234  -0.00013   0.00220   1.03300
   D105       0.45937  -0.00000   0.00375  -0.00018   0.00357   0.46294
   D106       0.00507  -0.00001  -0.00193  -0.00011  -0.00202   0.00305
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   D329      -3.13996  -0.00000   0.00005  -0.00004   0.00001  -3.13995
   D330      -3.12975  -0.00000   0.00003  -0.00006  -0.00003  -3.12978
   D331       0.00660   0.00000   0.00014  -0.00008   0.00006   0.00666
   D332      -0.00744   0.00000   0.00002   0.00001   0.00003  -0.00741
   D333       3.13096   0.00000  -0.00001   0.00002   0.00001   3.13097
   D334       3.13939  -0.00000  -0.00009   0.00003  -0.00006   3.13933
   D335      -0.00541  -0.00000  -0.00012   0.00005  -0.00007  -0.00548
   D336      -0.00486   0.00000  -0.00001   0.00004   0.00003  -0.00483
   D337       3.12982   0.00000   0.00007   0.00003   0.00010   3.12992
   D338       3.13992   0.00000   0.00003   0.00002   0.00004   3.13997
   D339      -0.00859   0.00000   0.00010   0.00001   0.00012  -0.00847
   D340      -0.00480   0.00000  -0.00001   0.00004   0.00004  -0.00476
   D341       3.14043   0.00000   0.00002   0.00001   0.00003   3.14047
   D342       3.12908   0.00000   0.00012  -0.00000   0.00012   3.12920
   D343      -0.00887   0.00000   0.00015  -0.00004   0.00012  -0.00876
   D344      -0.00765  -0.00000   0.00004  -0.00002   0.00001  -0.00764
   D345       3.13961  -0.00000  -0.00007   0.00001  -0.00006   3.13955
   D346       3.13029  -0.00000   0.00001   0.00001   0.00002   3.13030
   D347      -0.00564  -0.00000  -0.00010   0.00004  -0.00006  -0.00570
   D348       0.00700  -0.00000  -0.00007   0.00000  -0.00007   0.00693
   D349      -3.12937  -0.00000  -0.00001  -0.00003  -0.00003  -3.12940
   D350      -3.14027  -0.00000   0.00004  -0.00003   0.00001  -3.14027
   D351       0.00654   0.00000   0.00011  -0.00006   0.00005   0.00658
   D352       0.00665  -0.00000  -0.00003   0.00003  -0.00000   0.00664
   D353      -3.14007  -0.00000   0.00002  -0.00001   0.00000  -3.14006
   D354      -3.12995   0.00000   0.00004   0.00001   0.00005  -3.12990
   D355       0.00652   0.00000   0.00009  -0.00003   0.00005   0.00658
   D356      -0.00731  -0.00000   0.00001  -0.00004  -0.00003  -0.00734
   D357       3.13114  -0.00000  -0.00006  -0.00001  -0.00007   3.13107
   D358       3.13939  -0.00000  -0.00004   0.00000  -0.00004   3.13935
   D359      -0.00535  -0.00000  -0.00011   0.00003  -0.00007  -0.00542
   D360      -0.00466  -0.00000  -0.00001  -0.00000  -0.00001  -0.00467
   D361       3.13025  -0.00000   0.00007  -0.00007  -0.00001   3.13024
   D362       3.14007   0.00000   0.00006  -0.00003   0.00002   3.14009
   D363      -0.00820  -0.00000   0.00013  -0.00011   0.00002  -0.00818
   D364      -0.00469  -0.00000  -0.00001   0.00000  -0.00001  -0.00470
   D365       3.14053   0.00000   0.00002  -0.00002  -0.00000   3.14053
   D366       3.12930  -0.00000   0.00006  -0.00005   0.00000   3.12930
   D367      -0.00866  -0.00000   0.00009  -0.00008   0.00001  -0.00865
   D368      -0.00751  -0.00000   0.00001  -0.00004  -0.00003  -0.00754
   D369       3.13962  -0.00000  -0.00007   0.00001  -0.00007   3.13956
   D370       3.13044  -0.00000  -0.00002  -0.00001  -0.00003   3.13041
   D371      -0.00561  -0.00000  -0.00010   0.00003  -0.00007  -0.00569
   D372       0.00687  -0.00000  -0.00003   0.00003  -0.00001   0.00686
   D373      -3.12960   0.00000   0.00006  -0.00003   0.00003  -3.12957
   D374      -3.14028   0.00000   0.00005  -0.00002   0.00003  -3.14025
   D375       0.00644   0.00000   0.00014  -0.00007   0.00007   0.00651
   D376      -0.00645   0.00000   0.00006  -0.00003   0.00003  -0.00641
   D377       3.14022  -0.00000  -0.00002   0.00001  -0.00002   3.14020
   D378       3.13023  -0.00000  -0.00000   0.00001   0.00000   3.13023
   D379      -0.00629  -0.00000  -0.00009   0.00004  -0.00005  -0.00634
   D380       0.00709   0.00000  -0.00004   0.00005   0.00001   0.00709
   D381      -3.13126   0.00000  -0.00001   0.00002   0.00001  -3.13125
   D382      -3.13956   0.00000   0.00004   0.00001   0.00005  -3.13951
   D383       0.00527   0.00000   0.00007  -0.00001   0.00006   0.00533
   D384       0.00448   0.00000  -0.00001   0.00000  -0.00001   0.00448
   D385      -3.13053   0.00000  -0.00013   0.00009  -0.00004  -3.13057
   D386      -3.14034  -0.00000  -0.00004   0.00003  -0.00001  -3.14035
   D387       0.00783   0.00000  -0.00016   0.00012  -0.00004   0.00779
   D388       0.00451  -0.00000   0.00000  -0.00002  -0.00002   0.00449
   D389      -3.14023  -0.00000  -0.00005   0.00001  -0.00004  -3.14027
   D390      -3.13050   0.00000  -0.00008   0.00005  -0.00002  -3.13052
   D391       0.00795   0.00000  -0.00013   0.00009  -0.00004   0.00791
   D392       0.00709   0.00000  -0.00003   0.00005   0.00001   0.00711
   D393      -3.13949   0.00000   0.00004   0.00001   0.00005  -3.13944
   D394      -3.13134   0.00000   0.00002   0.00001   0.00003  -3.13131
   D395       0.00526   0.00000   0.00010  -0.00003   0.00007   0.00533
   D396      -0.00646   0.00000   0.00005  -0.00002   0.00003  -0.00643
   D397       3.13024  -0.00000  -0.00004   0.00003  -0.00002   3.13022
   D398       3.14013   0.00000  -0.00003   0.00002  -0.00000   3.14013
   D399      -0.00635  -0.00000  -0.00012   0.00007  -0.00005  -0.00641
   D400       1.62550   0.00000  -0.00535   0.00007  -0.00535   1.62015
   D401      -0.63813   0.00001  -0.00474   0.00007  -0.00471  -0.64284
   D402      -2.85924   0.00001  -0.00378   0.00006  -0.00376  -2.86300
   D403      -3.09282  -0.00000  -0.00112   0.00012  -0.00100  -3.09382
   D404      -0.91831   0.00000  -0.00078   0.00014  -0.00065  -0.91895
   D405       1.30147   0.00000  -0.00215   0.00006  -0.00209   1.29938
   D406       2.71921   0.00001   0.00782   0.00033   0.00811   2.72732
   D407      -1.45372   0.00001   0.00760   0.00022   0.00777  -1.44595
   D408       0.59370   0.00002   0.00815   0.00032   0.00841   0.60211
   D409       3.00779  -0.00001  -0.00007  -0.00080  -0.00088   3.00691
   D410      -1.16565  -0.00001  -0.00008  -0.00079  -0.00086  -1.16652
   D411       0.89158  -0.00001  -0.00007  -0.00079  -0.00086   0.89072
   D412       3.11344  -0.00000   0.00062  -0.00009   0.00054   3.11398
   D413      -1.08323  -0.00000   0.00076  -0.00011   0.00066  -1.08257
   D414       1.02754  -0.00000   0.00041   0.00001   0.00043   1.02797
   D415       1.05101   0.00000   0.00012   0.00009   0.00022   1.05123
   D416       3.13753   0.00000   0.00025   0.00007   0.00033   3.13786
   D417      -1.03489   0.00000  -0.00010   0.00019   0.00010  -1.03479
   D418      -1.08473  -0.00000   0.00041  -0.00004   0.00036  -1.08437
   D419       1.00179  -0.00000   0.00055  -0.00006   0.00047   1.00226
   D420       3.11255  -0.00000   0.00020   0.00006   0.00024   3.11280
   D421       1.30006  -0.00001  -0.00260   0.00008  -0.00262   1.29744
   D422      -2.92171  -0.00000  -0.00250   0.00002  -0.00252  -2.92424
   D423      -0.74865  -0.00001  -0.00301   0.00006  -0.00298  -0.75163
   D424      -1.39498  -0.00000   0.00045  -0.00024   0.00027  -1.39471
   D425       2.81352  -0.00001   0.00066  -0.00030   0.00037   2.81389
   D426       0.64352  -0.00001   0.00131  -0.00033   0.00100   0.64451
   D427       1.04797  -0.00000  -0.00026   0.00003  -0.00023   1.04774
   D428       3.13770  -0.00000  -0.00026   0.00002  -0.00024   3.13746
   D429      -1.05714  -0.00000  -0.00024   0.00002  -0.00022  -1.05736
   D430      -1.02618   0.00000  -0.00028   0.00006  -0.00022  -1.02641
   D431       1.06354   0.00000  -0.00028   0.00005  -0.00023   1.06332
   D432      -3.13130   0.00000  -0.00026   0.00006  -0.00021  -3.13151
   D433       3.12799  -0.00000  -0.00023   0.00002  -0.00022   3.12777
   D434      -1.06547  -0.00000  -0.00023   0.00001  -0.00022  -1.06569
   D435       1.02287  -0.00000  -0.00021   0.00001  -0.00020   1.02267
   D436      -1.35936   0.00000  -0.00423  -0.00007  -0.00434  -1.36370
   D437      -1.25876  -0.00000  -0.00193  -0.00007  -0.00199  -1.26075
   D438       0.41363   0.00000   0.00119  -0.00009   0.00111   0.41474
   D439       1.09066   0.00001  -0.00653   0.00027  -0.00637   1.08429
   D440       0.91221   0.00001  -0.00454   0.00017  -0.00438   0.90783
   D441      -0.39242   0.00001  -0.00089   0.00015  -0.00074  -0.39316
         Item               Value     Threshold  Converged?
 Maximum Force            0.000170     0.000450     YES
 RMS     Force            0.000012     0.000300     YES
 Maximum Displacement     0.072419     0.001800     NO 
 RMS     Displacement     0.013937     0.001200     NO 
 Predicted change in Energy=-2.766201D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.838446    2.898903    0.558441
      2          6           0       -2.069463    1.523292    0.688511
      3          6           0       -1.019857    0.597576    0.728876
      4          6           0        0.306145    1.074704    0.677050
      5          6           0        0.546599    2.444912    0.515560
      6          6           0       -0.507050    3.344215    0.453551
      7          6           0       -1.235596   -0.863244    0.717077
      8          6           0       -0.168644   -1.739688    1.037144
      9          6           0        1.119860   -1.151416    1.547828
     10          6           0        1.432827    0.140633    0.834791
     11          6           0       -2.436744   -1.403573    0.244389
     12          6           0       -2.614555   -2.778790    0.045513
     13          6           0       -1.515884   -3.617264    0.280524
     14          6           0       -0.316697   -3.102164    0.756497
     15          7           0        2.230328   -2.041639    1.704468
     16          6           0        3.523913   -1.633167    1.258928
     17          6           0        3.671243   -0.372077    0.638582
     18          7           0        2.607180    0.493954    0.445335
     19          6           0        4.664001   -2.445936    1.358275
     20          6           0        5.895102   -2.008829    0.885084
     21          6           0        6.060536   -0.750308    0.279263
     22          6           0        4.922272    0.046315    0.164115
     23          6           0       -2.967345    3.860148    0.532334
     24          6           0       -3.906033   -3.315345   -0.445662
     25          6           0        7.380428   -0.295725   -0.219431
     26          6           0       -3.952765   -4.387068   -1.353328
     27          6           0       -5.164482   -4.885067   -1.821565
     28          6           0       -6.372798   -4.333375   -1.376479
     29          6           0       -6.343363   -3.271173   -0.463837
     30          6           0       -5.126399   -2.767250   -0.015512
     31          6           0       -2.860527    5.118995    1.148080
     32          6           0       -3.919102    6.021795    1.136708
     33          6           0       -5.116584    5.696009    0.487166
     34          6           0       -5.235532    4.449425   -0.140450
     35          6           0       -4.178213    3.545708   -0.107926
     36          6           0        8.292862   -1.198798   -0.790874
     37          6           0        9.529008   -0.773945   -1.268158
     38          6           0        9.896432    0.573974   -1.171281
     39          6           0        9.001546    1.485660   -0.597114
     40          6           0        7.761288    1.054443   -0.137017
     41          7           0       -6.195018    6.616877    0.464198
     42          7           0       -7.610266   -4.844172   -1.844253
     43          7           0       11.159306    1.010346   -1.648799
     44          6           0       -8.015096   -6.184584   -1.796126
     45          6           0       -9.311545   -6.294485   -2.360005
     46          6           0       -9.706667   -4.962725   -2.768885
     47          6           0       -8.636250   -4.094759   -2.434829
     48          6           0       -7.507693    6.352758    0.876253
     49          6           0       -8.290279    7.521811    0.698114
     50          6           0       -7.412740    8.536116    0.152267
     51          6           0       -6.130322    7.944880    0.022761
     52          6           0       11.375073    2.040317   -2.573157
     53          6           0       12.769214    2.175820   -2.794810
     54          6           0       13.424671    1.185682   -1.966099
     55          6           0       12.402858    0.485384   -1.275574
     56          6           0      -10.848545   -4.443052   -3.389332
     57          6           0      -10.906428   -3.081830   -3.672457
     58          6           0       -9.830355   -2.238421   -3.348301
     59          6           0       -8.682551   -2.729502   -2.730052
     60          6           0       -7.351655   -7.294609   -1.266081
     61          6           0       -7.998434   -8.526956   -1.328204
     62          6           0       -9.276534   -8.656356   -1.897466
     63          6           0       -9.938414   -7.544837   -2.410229
     64          6           0       -7.602733    9.865386   -0.242498
     65          6           0       -6.526885   10.578922   -0.762007
     66          6           0       -5.266379    9.972935   -0.897346
     67          6           0       -5.049695    8.651893   -0.511705
     68          6           0       -8.049393    5.186474    1.423659
     69          6           0       -9.398094    5.199808    1.772422
     70          6           0      -10.191689    6.344717    1.588476
     71          6           0       -9.643145    7.507740    1.056556
     72          6           0       14.764370    0.846610   -1.744259
     73          6           0       15.066553   -0.169479   -0.842706
     74          6           0       14.042268   -0.843358   -0.156195
     75          6           0       12.700872   -0.526414   -0.358605
     76          6           0       10.445875    2.833485   -3.251998
     77          6           0       10.935126    3.783505   -4.145737
     78          6           0       12.313935    3.941028   -4.366559
     79          6           0       13.233731    3.138862   -3.698049
     80          8           0        0.759350   -3.502217    3.491817
     81         15           0        2.091950   -3.335816    2.884308
     82          8           0        3.313799   -3.129394    3.902943
     83          8           0        2.626950   -4.561940    1.986635
     84          6           0        3.151381   -2.352071    5.130885
     85          6           0        4.209753   -2.816504    6.110554
     86          6           0        2.626619   -5.896712    2.573733
     87          6           0        2.985905   -6.883105    1.480971
     88          1           0       -3.090557    1.175828    0.798604
     89          1           0        1.574164    2.784461    0.453446
     90          1           0       -0.303187    4.401430    0.316927
     91          1           0       -3.234981   -0.732472   -0.050440
     92          1           0       -1.602121   -4.685338    0.109859
     93          1           0        0.515100   -3.779591    0.882624
     94          1           0        4.603557   -3.426722    1.802560
     95          1           0        6.754020   -2.660700    1.009915
     96          1           0        4.954797    1.014260   -0.324000
     97          1           0       -3.026977   -4.809934   -1.730727
     98          1           0       -5.181455   -5.688502   -2.550281
     99          1           0       -7.276333   -2.860389   -0.092848
    100          1           0       -5.122618   -1.963149    0.713827
    101          1           0       -1.950587    5.378178    1.680111
    102          1           0       -3.831935    6.974055    1.648995
    103          1           0       -6.149751    4.204140   -0.670451
    104          1           0       -4.279147    2.596324   -0.624589
    105          1           0        8.015566   -2.242568   -0.901470
    106          1           0       10.206585   -1.479063   -1.737942
    107          1           0        9.292048    2.525886   -0.494623
    108          1           0        7.091943    1.770968    0.328773
    109          1           0      -11.676418   -5.096122   -3.650231
    110          1           0      -11.787320   -2.666543   -4.152077
    111          1           0       -9.890292   -1.180486   -3.586239
    112          1           0       -7.852546   -2.073332   -2.493235
    113          1           0       -6.370197   -7.202010   -0.814726
    114          1           0       -7.502356   -9.404340   -0.923764
    115          1           0       -9.751850   -9.631757   -1.931772
    116          1           0      -10.931145   -7.643946   -2.839892
    117          1           0       -8.579446   10.331365   -0.148332
    118          1           0       -6.661349   11.611077   -1.070382
    119          1           0       -4.441379   10.543162   -1.314091
    120          1           0       -4.076316    8.189039   -0.629416
    121          1           0       -7.441702    4.302179    1.579554
    122          1           0       -9.841915    4.304964    2.198713
    123          1           0      -11.240093    6.320948    1.869173
    124          1           0      -10.254768    8.395775    0.925103
    125          1           0       15.557477    1.374032   -2.266559
    126          1           0       16.101849   -0.442387   -0.663180
    127          1           0       14.298745   -1.627010    0.550662
    128          1           0       11.917068   -1.044347    0.182735
    129          1           0        9.379957    2.711644   -3.095171
    130          1           0       10.232525    4.412659   -4.684231
    131          1           0       12.661926    4.692460   -5.068541
    132          1           0       14.298864    3.254325   -3.877366
    133          1           0        3.267309   -1.296152    4.874007
    134          1           0        2.139031   -2.507590    5.510443
    135          1           0        4.133728   -2.233047    7.033509
    136          1           0        4.076907   -3.873186    6.359460
    137          1           0        5.213101   -2.678172    5.698143
    138          1           0        3.357549   -5.914954    3.388849
    139          1           0        1.633590   -6.093615    2.988386
    140          1           0        3.974172   -6.665817    1.066641
    141          1           0        2.998587   -7.897753    1.891023
    142          1           0        2.254463   -6.847760    0.669139
    143         17           0        0.731490   -0.353154    3.406750
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177524           0.0074061           0.0058257
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13524.3024348596 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.76D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000518    0.000034   -0.000628 Ang=   0.09 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.68068923     A.U. after   10 cycles
            NFock= 10  Conv=0.62D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000006611   -0.000023430    0.000000336
      2        6          -0.000012899    0.000020965   -0.000006201
      3        6           0.000014077   -0.000019471    0.000000534
      4        6           0.000003872    0.000007361    0.000019840
      5        6          -0.000009381    0.000008933   -0.000006511
      6        6           0.000013813    0.000002393   -0.000006708
      7        6          -0.000001422    0.000017842    0.000008043
      8        6          -0.000022140   -0.000034376   -0.000057720
      9        6          -0.000085365   -0.000016687   -0.000122552
     10        6          -0.000030103    0.000085294    0.000012379
     11        6          -0.000009567   -0.000028543   -0.000002673
     12        6           0.000004796    0.000032784    0.000008383
     13        6           0.000017009   -0.000001038    0.000013727
     14        6          -0.000017327   -0.000021582   -0.000011206
     15        7           0.000209533   -0.000062579   -0.000007439
     16        6          -0.000057482   -0.000031645    0.000011854
     17        6          -0.000079535    0.000055014   -0.000009091
     18        7           0.000068850   -0.000039478   -0.000000033
     19        6           0.000026032    0.000000743   -0.000006277
     20        6          -0.000006590   -0.000018275    0.000014510
     21        6          -0.000027683    0.000013732   -0.000001941
     22        6           0.000034831    0.000004653   -0.000007246
     23        6          -0.000008474    0.000004740   -0.000000502
     24        6          -0.000018965   -0.000015087   -0.000007192
     25        6           0.000010714    0.000003092   -0.000002976
     26        6           0.000004712    0.000007416    0.000005394
     27        6          -0.000007938    0.000001991   -0.000004966
     28        6           0.000004861    0.000002056   -0.000001395
     29        6          -0.000000916   -0.000009097    0.000001972
     30        6           0.000011823    0.000003465    0.000001610
     31        6          -0.000002618   -0.000005777    0.000004260
     32        6          -0.000001762    0.000000667   -0.000001326
     33        6           0.000000439   -0.000002742   -0.000001194
     34        6          -0.000003942    0.000003953    0.000002334
     35        6           0.000006709    0.000002313   -0.000005232
     36        6          -0.000005824    0.000000440   -0.000001466
     37        6           0.000001444    0.000003780    0.000000505
     38        6           0.000002880    0.000002279   -0.000001688
     39        6           0.000004405    0.000001435   -0.000001472
     40        6          -0.000001874   -0.000007340    0.000003679
     41        7          -0.000006717    0.000001225    0.000000507
     42        7          -0.000014460   -0.000007837    0.000000985
     43        7           0.000000977   -0.000000078    0.000001259
     44        6          -0.000003697    0.000012283    0.000013455
     45        6          -0.000009410   -0.000000593    0.000010428
     46        6           0.000005173   -0.000003502   -0.000013798
     47        6           0.000021149   -0.000001633   -0.000011700
     48        6           0.000011115    0.000003623   -0.000002195
     49        6          -0.000000187    0.000004965    0.000008467
     50        6          -0.000003507   -0.000004104   -0.000009041
     51        6           0.000002399   -0.000006529    0.000001597
     52        6          -0.000000651   -0.000005435    0.000002888
     53        6           0.000002622   -0.000005771   -0.000007294
     54        6          -0.000000903    0.000007471    0.000006524
     55        6          -0.000006782   -0.000000769   -0.000001090
     56        6          -0.000003569    0.000003855    0.000004876
     57        6          -0.000002033   -0.000005123    0.000000581
     58        6           0.000002319    0.000001425    0.000001823
     59        6          -0.000005093    0.000001062    0.000003360
     60        6           0.000001855   -0.000002398   -0.000003661
     61        6           0.000002163    0.000001586    0.000000887
     62        6          -0.000003714    0.000000215   -0.000002975
     63        6           0.000005174   -0.000002342   -0.000002710
     64        6           0.000002392    0.000003268    0.000002938
     65        6          -0.000005465   -0.000000060    0.000001063
     66        6           0.000001140   -0.000001767   -0.000000226
     67        6          -0.000000954    0.000002786    0.000001611
     68        6          -0.000003122   -0.000001582   -0.000000729
     69        6           0.000002246    0.000000249   -0.000000089
     70        6          -0.000003834    0.000003844   -0.000001452
     71        6          -0.000000766   -0.000003938   -0.000002049
     72        6           0.000001163   -0.000003837   -0.000001928
     73        6           0.000002028    0.000003872   -0.000002581
     74        6          -0.000001216   -0.000000042    0.000000345
     75        6           0.000001302   -0.000000146   -0.000001927
     76        6           0.000000140    0.000002522    0.000000096
     77        6          -0.000000661   -0.000001519    0.000000797
     78        6           0.000004863    0.000001697    0.000000323
     79        6          -0.000002384    0.000002799    0.000001283
     80        8          -0.000010011   -0.000006404    0.000001854
     81       15           0.000013231    0.000006465    0.000040322
     82        8          -0.000007183   -0.000031386   -0.000036404
     83        8           0.000023339    0.000007422    0.000004349
     84        6           0.000004113    0.000064569    0.000035172
     85        6           0.000002860   -0.000003440   -0.000009639
     86        6          -0.000014057   -0.000008697   -0.000003978
     87        6          -0.000004780   -0.000003413   -0.000001989
     88        1          -0.000001384    0.000004684   -0.000000389
     89        1           0.000001047   -0.000001436    0.000002835
     90        1          -0.000002724    0.000000321    0.000001757
     91        1          -0.000000667   -0.000002687    0.000007778
     92        1           0.000001719    0.000002767   -0.000006500
     93        1          -0.000001392    0.000002939    0.000000215
     94        1          -0.000001795    0.000003634   -0.000000323
     95        1           0.000000646    0.000001245   -0.000004797
     96        1          -0.000000290    0.000000217    0.000001975
     97        1          -0.000001055   -0.000002182   -0.000002069
     98        1           0.000002103    0.000000740    0.000001623
     99        1           0.000002078    0.000001365   -0.000000028
    100        1          -0.000002371   -0.000000284   -0.000000680
    101        1           0.000001384    0.000002172   -0.000001488
    102        1           0.000001817   -0.000001695    0.000000452
    103        1           0.000003257    0.000000416   -0.000000917
    104        1          -0.000001123   -0.000001160    0.000001062
    105        1           0.000002125    0.000000175    0.000000606
    106        1          -0.000002948   -0.000001111   -0.000000539
    107        1          -0.000001380   -0.000001402    0.000001443
    108        1          -0.000000021    0.000001573   -0.000001489
    109        1           0.000000389   -0.000001267    0.000000102
    110        1           0.000000249    0.000001304   -0.000000672
    111        1          -0.000000636    0.000000245   -0.000000438
    112        1          -0.000001544   -0.000000540   -0.000000459
    113        1          -0.000000594   -0.000001017    0.000000661
    114        1           0.000000079   -0.000000755    0.000000365
    115        1           0.000000798   -0.000000695    0.000000999
    116        1          -0.000000783    0.000000505   -0.000000322
    117        1          -0.000000835   -0.000001808    0.000000365
    118        1           0.000001350    0.000000533   -0.000000420
    119        1           0.000000873    0.000000328    0.000000093
    120        1          -0.000000695    0.000001468   -0.000003008
    121        1          -0.000002540   -0.000000571    0.000002511
    122        1           0.000000313   -0.000000966    0.000000007
    123        1           0.000000476   -0.000001391    0.000000594
    124        1           0.000000686    0.000001461   -0.000001084
    125        1          -0.000001065    0.000001195   -0.000001063
    126        1           0.000000133   -0.000001389    0.000000793
    127        1          -0.000000050   -0.000000788    0.000000222
    128        1           0.000002227    0.000001667    0.000002814
    129        1          -0.000000068    0.000000897   -0.000002919
    130        1          -0.000000992    0.000000187   -0.000000192
    131        1          -0.000001608    0.000000182   -0.000000728
    132        1           0.000001172   -0.000000671    0.000001449
    133        1          -0.000059444   -0.000030897   -0.000029645
    134        1           0.000013143   -0.000033649    0.000034793
    135        1          -0.000003008    0.000001965    0.000002734
    136        1           0.000001080    0.000001929    0.000001689
    137        1           0.000000166    0.000000092    0.000000677
    138        1           0.000005539    0.000001847   -0.000004893
    139        1           0.000001601   -0.000000327    0.000005657
    140        1           0.000000127    0.000000587    0.000000280
    141        1           0.000001084   -0.000000768    0.000000083
    142        1          -0.000000489    0.000000184    0.000001263
    143       17           0.000009636    0.000075582    0.000122479
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000209533 RMS     0.000019231

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000125178 RMS     0.000009074
 Search for a local minimum.
 Step number  29 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   20   21   22   23   24
                                                     25   26   27   28   29
 DE= -3.04D-06 DEPred=-2.77D-06 R= 1.10D+00
 TightC=F SS=  1.41D+00  RLast= 5.52D-02 DXNew= 1.0456D+00 1.6565D-01
 Trust test= 1.10D+00 RLast= 5.52D-02 DXMaxT set to 6.22D-01
 ITU=  1  0  1 -1  1  1  1  1  1  1 -1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00134   0.00385   0.00418   0.00419   0.00683
     Eigenvalues ---    0.00730   0.00790   0.01593   0.01665   0.01987
     Eigenvalues ---    0.02283   0.02446   0.02577   0.02625   0.02634
     Eigenvalues ---    0.02692   0.02705   0.02708   0.02714   0.02718
     Eigenvalues ---    0.02724   0.02726   0.02729   0.02734   0.02737
     Eigenvalues ---    0.02751   0.02761   0.02770   0.02771   0.02774
     Eigenvalues ---    0.02775   0.02778   0.02782   0.02785   0.02786
     Eigenvalues ---    0.02788   0.02789   0.02791   0.02791   0.02792
     Eigenvalues ---    0.02792   0.02793   0.02794   0.02795   0.02797
     Eigenvalues ---    0.02801   0.02802   0.02803   0.02804   0.02805
     Eigenvalues ---    0.02807   0.02807   0.02808   0.02808   0.02809
     Eigenvalues ---    0.02811   0.02811   0.02813   0.02816   0.02817
     Eigenvalues ---    0.02817   0.02818   0.02818   0.02819   0.02820
     Eigenvalues ---    0.02823   0.02829   0.02836   0.02842   0.02844
     Eigenvalues ---    0.02845   0.02845   0.02846   0.02847   0.02849
     Eigenvalues ---    0.02850   0.02854   0.02866   0.02867   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02872   0.02873   0.02875
     Eigenvalues ---    0.02876   0.02877   0.02878   0.02878   0.02879
     Eigenvalues ---    0.02879   0.02882   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02886   0.02886   0.02887
     Eigenvalues ---    0.02892   0.02893   0.02894   0.02896   0.02897
     Eigenvalues ---    0.02898   0.02899   0.02899   0.02899   0.02902
     Eigenvalues ---    0.02907   0.02910   0.02917   0.02942   0.02944
     Eigenvalues ---    0.02949   0.02975   0.03024   0.03025   0.03026
     Eigenvalues ---    0.03089   0.03133   0.03133   0.03134   0.03139
     Eigenvalues ---    0.03151   0.03193   0.03243   0.03406   0.03584
     Eigenvalues ---    0.03992   0.04662   0.04691   0.05376   0.05562
     Eigenvalues ---    0.05579   0.05613   0.05726   0.05743   0.05784
     Eigenvalues ---    0.07508   0.08927   0.09335   0.10495   0.11042
     Eigenvalues ---    0.11429   0.11599   0.12586   0.13660   0.15254
     Eigenvalues ---    0.15610   0.15799   0.15891   0.15932   0.15962
     Eigenvalues ---    0.15972   0.15986   0.15986   0.15987   0.15987
     Eigenvalues ---    0.15988   0.15993   0.15996   0.15996   0.15996
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15998   0.15998
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16002   0.16002   0.16004
     Eigenvalues ---    0.16005   0.16011   0.16058   0.16087   0.16115
     Eigenvalues ---    0.16196   0.16716   0.17294   0.18729   0.19889
     Eigenvalues ---    0.20888   0.21990   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22002   0.22002
     Eigenvalues ---    0.22006   0.22379   0.22406   0.22502   0.22600
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22603   0.22695
     Eigenvalues ---    0.22946   0.22966   0.22989   0.23121   0.23258
     Eigenvalues ---    0.23410   0.23509   0.23694   0.23967   0.24000
     Eigenvalues ---    0.24194   0.24476   0.24486   0.24488   0.24490
     Eigenvalues ---    0.24530   0.24534   0.24749   0.24902   0.24980
     Eigenvalues ---    0.24984   0.24985   0.24985   0.24986   0.24987
     Eigenvalues ---    0.24992   0.24996   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25002   0.25004   0.25014   0.25018   0.25032
     Eigenvalues ---    0.25096   0.25114   0.25411   0.26428   0.27947
     Eigenvalues ---    0.28153   0.29181   0.29780   0.29788   0.30451
     Eigenvalues ---    0.32016   0.32098   0.32128   0.32141   0.32148
     Eigenvalues ---    0.32164   0.32179   0.32219   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33296   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33457   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33634   0.33638
     Eigenvalues ---    0.33640   0.33643   0.33647   0.33664   0.33702
     Eigenvalues ---    0.33722   0.33741   0.33819   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33922   0.33941
     Eigenvalues ---    0.33947   0.33955   0.33960   0.34455   0.34464
     Eigenvalues ---    0.34825   0.34919   0.35055   0.38228   0.40308
     Eigenvalues ---    0.41707   0.42979   0.44424   0.44429   0.44439
     Eigenvalues ---    0.44447   0.45431   0.46912   0.48720   0.48933
     Eigenvalues ---    0.48974   0.49139   0.49174   0.49345   0.49777
     Eigenvalues ---    0.49797   0.49809   0.49829   0.49851   0.49922
     Eigenvalues ---    0.50003   0.50191   0.50241   0.50398   0.50408
     Eigenvalues ---    0.50610   0.50614   0.50616   0.51445   0.51804
     Eigenvalues ---    0.52043   0.52407   0.52783   0.52901   0.53422
     Eigenvalues ---    0.54063   0.54113   0.54199   0.54201   0.54206
     Eigenvalues ---    0.54312   0.54412   0.54917   0.55122   0.55299
     Eigenvalues ---    0.55326   0.55346   0.55357   0.55393   0.55422
     Eigenvalues ---    0.55424   0.55485   0.55565   0.55619   0.55698
     Eigenvalues ---    0.55706   0.55758   0.55876   0.55939   0.55948
     Eigenvalues ---    0.56147   0.56152   0.56153   0.56224   0.56269
     Eigenvalues ---    0.56300   0.56326   0.56501   0.56662   0.56664
     Eigenvalues ---    0.56670   0.56671   0.56681   0.56689   0.56843
     Eigenvalues ---    0.56901   0.56914   0.57113   0.57173   0.57178
     Eigenvalues ---    0.57188   0.57195   0.57209   0.57406   0.57680
     Eigenvalues ---    0.61804   0.63078   0.65974   0.66061   0.67649
     Eigenvalues ---    0.67658   0.67661   0.68808   0.69915   0.70081
     Eigenvalues ---    0.71858   0.74956   0.80070
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    29   28   27   26   25   24   23   22   21   20
 RFO step:  Lambda=-1.60297160D-06.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 RFO-DIIS uses    7 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    0.99634    0.09651   -0.05221    0.03193   -0.19268
                  RFO-DIIS coefs:    0.19890   -0.07879    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00520952 RMS(Int)=  0.00000408
 Iteration  2 RMS(Cart)=  0.00000828 RMS(Int)=  0.00000392
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000392
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64737  -0.00001  -0.00008  -0.00002  -0.00010   2.64727
    R2        2.66037   0.00001   0.00003   0.00001   0.00003   2.66040
    R3        2.80233   0.00001   0.00004   0.00001   0.00005   2.80238
    R4        2.64579   0.00002   0.00007   0.00003   0.00009   2.64588
    R5        2.04884  -0.00000  -0.00001  -0.00001  -0.00002   2.04882
    R6        2.66486   0.00001  -0.00002   0.00002   0.00000   2.66487
    R7        2.79058   0.00001  -0.00016   0.00002  -0.00014   2.79044
    R8        2.64654   0.00001   0.00006  -0.00000   0.00006   2.64660
    R9        2.78167  -0.00000  -0.00009  -0.00002  -0.00011   2.78156
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   A82        2.09997  -0.00000   0.00005  -0.00003   0.00002   2.09999
   A83        2.08472   0.00000  -0.00004   0.00002  -0.00001   2.08470
   A84        2.08004  -0.00000   0.00004  -0.00003   0.00001   2.08006
   A85        2.10135   0.00000  -0.00002   0.00001  -0.00001   2.10134
   A86        2.10180   0.00000  -0.00002   0.00002  -0.00001   2.10179
   A87        2.09782   0.00000  -0.00001   0.00001  -0.00000   2.09782
   A88        2.08507   0.00000  -0.00003   0.00002  -0.00001   2.08505
   A89        2.10005  -0.00000   0.00005  -0.00003   0.00002   2.10006
   A90        2.11727   0.00000  -0.00002   0.00000  -0.00002   2.11726
   A91        2.08463   0.00000  -0.00002   0.00003   0.00001   2.08464
   A92        2.08034  -0.00000   0.00004  -0.00004   0.00001   2.08035
   A93        2.11741   0.00000  -0.00003   0.00001  -0.00002   2.11739
   A94        2.08556  -0.00000  -0.00000   0.00000   0.00000   2.08556
   A95        2.07932  -0.00000   0.00003  -0.00001   0.00001   2.07933
   A96        2.09823   0.00000  -0.00001   0.00001   0.00000   2.09824
   A97        2.09971  -0.00000   0.00003  -0.00002   0.00001   2.09972
   A98        2.08500   0.00000  -0.00002   0.00002  -0.00001   2.08499
   A99        2.07987  -0.00000   0.00002  -0.00002   0.00000   2.07987
   A100       2.10197   0.00000  -0.00002   0.00001  -0.00001   2.10196
   A101       2.10134   0.00000  -0.00001   0.00001   0.00000   2.10135
   A102       2.09794   0.00000  -0.00001   0.00001  -0.00000   2.09794
   A103       2.08483   0.00000  -0.00002   0.00001  -0.00000   2.08482
   A104       2.10017  -0.00000   0.00003  -0.00002   0.00001   2.10018
   A105       2.11777   0.00000  -0.00002   0.00001  -0.00001   2.11776
   A106       2.08589   0.00000  -0.00001   0.00001   0.00000   2.08589
   A107       2.07863  -0.00000   0.00003  -0.00002   0.00001   2.07864
   A108       2.11774   0.00000  -0.00003   0.00001  -0.00002   2.11772
   A109       2.08686   0.00000  -0.00001   0.00002   0.00001   2.08687
   A110       2.07774  -0.00000   0.00004  -0.00003   0.00001   2.07775
   A111       2.09809   0.00000  -0.00001   0.00001   0.00000   2.09809
   A112       2.10006  -0.00000   0.00004  -0.00003   0.00001   2.10007
   A113       2.08479   0.00000  -0.00002   0.00002  -0.00001   2.08478
   A114       2.07972  -0.00000   0.00003  -0.00002   0.00000   2.07972
   A115       2.10161   0.00000  -0.00001   0.00001  -0.00000   2.10161
   A116       2.10186   0.00000  -0.00001   0.00001  -0.00000   2.10185
   A117       2.09829   0.00000  -0.00001   0.00001  -0.00000   2.09829
   A118       2.08492   0.00000  -0.00002   0.00002  -0.00000   2.08492
   A119       2.09974  -0.00000   0.00003  -0.00002   0.00001   2.09975
   A120       2.11761   0.00000  -0.00003   0.00002  -0.00002   2.11759
   A121       2.08545   0.00000  -0.00002   0.00002  -0.00000   2.08544
   A122       2.07940  -0.00000   0.00006  -0.00003   0.00002   2.07943
   A123       2.19604   0.00000   0.00001  -0.00000   0.00001   2.19605
   A124       2.19625   0.00000   0.00000  -0.00000  -0.00000   2.19625
   A125       1.89090  -0.00000  -0.00001   0.00000  -0.00001   1.89089
   A126       2.19619  -0.00000   0.00001  -0.00001  -0.00000   2.19619
   A127       2.19614   0.00000  -0.00001   0.00001   0.00000   2.19614
   A128       1.89085   0.00000  -0.00000   0.00000   0.00000   1.89085
   A129       2.19611  -0.00000   0.00001  -0.00000   0.00000   2.19612
   A130       2.19610   0.00000   0.00001   0.00000   0.00001   2.19611
   A131       1.89097  -0.00000  -0.00001   0.00000  -0.00001   1.89096
   A132       1.90145   0.00000  -0.00001   0.00000  -0.00000   1.90145
   A133       2.25976   0.00000  -0.00003   0.00001  -0.00001   2.25974
   A134       2.12146  -0.00000   0.00003  -0.00002   0.00002   2.12148
   A135       1.86551  -0.00000   0.00001  -0.00000   0.00000   1.86552
   A136       2.08633   0.00000  -0.00002   0.00001  -0.00001   2.08631
   A137       2.33128   0.00000   0.00002  -0.00000   0.00001   2.33129
   A138       1.86549  -0.00000   0.00001  -0.00000   0.00000   1.86549
   A139       2.33127  -0.00000   0.00002  -0.00001   0.00001   2.33128
   A140       2.08636   0.00000  -0.00002   0.00001  -0.00001   2.08635
   A141       1.90147   0.00000  -0.00000   0.00000  -0.00000   1.90146
   A142       2.25985   0.00000  -0.00003   0.00002  -0.00001   2.25984
   A143       2.12137  -0.00000   0.00004  -0.00002   0.00002   2.12138
   A144       1.90152   0.00000   0.00000  -0.00000   0.00000   1.90152
   A145       2.25970   0.00001  -0.00003   0.00003  -0.00000   2.25970
   A146       2.12147  -0.00001   0.00003  -0.00003   0.00000   2.12147
   A147       1.86542   0.00000   0.00001  -0.00000   0.00000   1.86542
   A148       2.08631   0.00000  -0.00002   0.00002  -0.00000   2.08631
   A149       2.33139  -0.00000   0.00002  -0.00002  -0.00000   2.33139
   A150       1.86547   0.00000   0.00000  -0.00000   0.00000   1.86547
   A151       2.33135  -0.00000   0.00001  -0.00001  -0.00000   2.33135
   A152       2.08631   0.00000  -0.00002   0.00002  -0.00000   2.08631
   A153       1.90147   0.00000   0.00000  -0.00000   0.00000   1.90147
   A154       2.25977   0.00000  -0.00003   0.00002  -0.00000   2.25977
   A155       2.12145  -0.00001   0.00002  -0.00002   0.00000   2.12146
   A156       1.90165   0.00000  -0.00000  -0.00000  -0.00000   1.90165
   A157       2.25938   0.00000  -0.00002   0.00002   0.00000   2.25939
   A158       2.12169  -0.00000   0.00002  -0.00002  -0.00000   2.12169
   A159       1.86524   0.00000   0.00001  -0.00000   0.00001   1.86525
   A160       2.08618   0.00000  -0.00002   0.00002   0.00000   2.08618
   A161       2.33170  -0.00000   0.00000  -0.00001  -0.00001   2.33169
   A162       1.86519   0.00000   0.00001  -0.00000   0.00001   1.86520
   A163       2.33178  -0.00000   0.00000  -0.00001  -0.00001   2.33177
   A164       2.08615   0.00000  -0.00002   0.00002   0.00000   2.08615
   A165       1.90171   0.00000  -0.00000   0.00000  -0.00000   1.90171
   A166       2.25952   0.00000  -0.00002   0.00002   0.00000   2.25952
   A167       2.12150  -0.00001   0.00002  -0.00002   0.00000   2.12150
   A168       2.07983   0.00000  -0.00000   0.00000   0.00000   2.07983
   A169       2.10022  -0.00000   0.00002  -0.00001   0.00001   2.10023
   A170       2.10312   0.00000  -0.00002   0.00001  -0.00001   2.10311
   A171       2.10408  -0.00000   0.00002  -0.00001   0.00001   2.10409
   A172       2.09192   0.00000  -0.00002   0.00002  -0.00001   2.09191
   A173       2.08717  -0.00000   0.00001  -0.00001  -0.00000   2.08717
   A174       2.11970   0.00000  -0.00001   0.00001  -0.00001   2.11969
   A175       2.08508  -0.00000   0.00001  -0.00001  -0.00000   2.08508
   A176       2.07840   0.00000   0.00001   0.00000   0.00001   2.07841
   A177       2.05487   0.00000  -0.00001   0.00001  -0.00000   2.05486
   A178       2.11729   0.00000  -0.00001   0.00001  -0.00001   2.11729
   A179       2.11100  -0.00000   0.00003  -0.00002   0.00001   2.11101
   A180       2.05474   0.00000  -0.00001   0.00001  -0.00001   2.05473
   A181       2.11736   0.00000  -0.00001   0.00001  -0.00001   2.11735
   A182       2.11106  -0.00000   0.00003  -0.00001   0.00001   2.11107
   A183       2.11978   0.00000  -0.00001   0.00001  -0.00001   2.11977
   A184       2.07826   0.00000   0.00001  -0.00000   0.00001   2.07827
   A185       2.08514  -0.00000   0.00001  -0.00000   0.00000   2.08514
   A186       2.10408  -0.00000   0.00002  -0.00001   0.00001   2.10409
   A187       2.08726  -0.00000   0.00001  -0.00001  -0.00000   2.08726
   A188       2.09183   0.00000  -0.00002   0.00001  -0.00001   2.09182
   A189       2.07981   0.00000  -0.00000   0.00000  -0.00000   2.07981
   A190       2.10022  -0.00000   0.00002  -0.00001   0.00001   2.10023
   A191       2.10314   0.00000  -0.00002   0.00001  -0.00001   2.10313
   A192       2.07983   0.00000  -0.00000   0.00000  -0.00000   2.07983
   A193       2.10020  -0.00000   0.00002  -0.00002   0.00000   2.10021
   A194       2.10314   0.00000  -0.00002   0.00002  -0.00000   2.10313
   A195       2.10408  -0.00000   0.00001  -0.00001   0.00000   2.10408
   A196       2.09186   0.00000  -0.00002   0.00002  -0.00000   2.09185
   A197       2.08724  -0.00000   0.00001  -0.00001   0.00000   2.08724
   A198       2.11977   0.00000  -0.00001   0.00001  -0.00000   2.11977
   A199       2.08516  -0.00000   0.00000  -0.00000   0.00000   2.08516
   A200       2.07825  -0.00000   0.00001  -0.00001   0.00000   2.07825
   A201       2.05477   0.00000  -0.00001   0.00001   0.00000   2.05477
   A202       2.11731   0.00000  -0.00002   0.00001  -0.00000   2.11731
   A203       2.11109  -0.00000   0.00002  -0.00002   0.00000   2.11109
   A204       2.05477   0.00000  -0.00001   0.00001   0.00000   2.05477
   A205       2.11727   0.00000  -0.00002   0.00002  -0.00001   2.11727
   A206       2.11112  -0.00000   0.00003  -0.00003   0.00000   2.11113
   A207       2.11975   0.00000  -0.00002   0.00001  -0.00000   2.11974
   A208       2.07832  -0.00000   0.00001  -0.00001   0.00000   2.07832
   A209       2.08511  -0.00000   0.00000  -0.00000   0.00000   2.08512
   A210       2.10411  -0.00000   0.00002  -0.00001   0.00000   2.10411
   A211       2.08718  -0.00000   0.00001  -0.00001   0.00000   2.08718
   A212       2.09188   0.00000  -0.00002   0.00002  -0.00000   2.09188
   A213       2.07981   0.00000  -0.00000   0.00000   0.00000   2.07981
   A214       2.10022  -0.00000   0.00002  -0.00002   0.00000   2.10022
   A215       2.10314   0.00000  -0.00002   0.00002  -0.00000   2.10314
   A216       2.07993   0.00000  -0.00000   0.00000  -0.00000   2.07993
   A217       2.10020  -0.00000   0.00002  -0.00002   0.00000   2.10020
   A218       2.10305   0.00000  -0.00002   0.00002  -0.00000   2.10304
   A219       2.10410  -0.00000   0.00001  -0.00001   0.00000   2.10410
   A220       2.09182   0.00000  -0.00002   0.00002  -0.00000   2.09182
   A221       2.08725  -0.00000   0.00001  -0.00001   0.00000   2.08725
   A222       2.11973   0.00000  -0.00001   0.00001  -0.00000   2.11973
   A223       2.08502  -0.00000   0.00000  -0.00000   0.00000   2.08503
   A224       2.07843  -0.00000   0.00001  -0.00001   0.00000   2.07843
   A225       2.05481   0.00000  -0.00000   0.00000   0.00000   2.05481
   A226       2.11675   0.00000  -0.00001   0.00001   0.00001   2.11675
   A227       2.11161  -0.00000   0.00001  -0.00002  -0.00001   2.11160
   A228       2.05458   0.00000  -0.00000   0.00000   0.00000   2.05459
   A229       2.11714   0.00000  -0.00001   0.00002   0.00001   2.11715
   A230       2.11144  -0.00000   0.00001  -0.00002  -0.00001   2.11143
   A231       2.11982   0.00000  -0.00001   0.00001  -0.00000   2.11982
   A232       2.07827  -0.00000   0.00001  -0.00001   0.00000   2.07827
   A233       2.08509  -0.00000   0.00000  -0.00000   0.00000   2.08509
   A234       2.10418  -0.00000   0.00001  -0.00001   0.00000   2.10418
   A235       2.08717  -0.00000   0.00001  -0.00001   0.00000   2.08717
   A236       2.09183   0.00000  -0.00002   0.00002  -0.00000   2.09183
   A237       2.07977   0.00000  -0.00000   0.00000  -0.00000   2.07977
   A238       2.10027  -0.00000   0.00002  -0.00002   0.00000   2.10027
   A239       2.10313   0.00000  -0.00002   0.00002  -0.00000   2.10313
   A240       2.01661  -0.00000   0.00021  -0.00004   0.00018   2.01680
   A241       1.84594  -0.00001  -0.00035  -0.00003  -0.00039   1.84555
   A242       1.73179   0.00000  -0.00049  -0.00000  -0.00049   1.73130
   A243       2.02801   0.00000   0.00033   0.00002   0.00035   2.02836
   A244       2.03082  -0.00001  -0.00013  -0.00001  -0.00013   2.03069
   A245       1.77095   0.00000   0.00030   0.00006   0.00037   1.77132
   A246       2.11418   0.00001   0.00018   0.00006   0.00022   2.11440
   A247       2.06264   0.00000  -0.00004  -0.00001  -0.00005   2.06259
   A248       1.87803  -0.00000  -0.00016   0.00006  -0.00010   1.87793
   A249       1.88013  -0.00001  -0.00015  -0.00005  -0.00020   1.87993
   A250       1.89552   0.00001  -0.00001  -0.00003  -0.00003   1.89549
   A251       1.95416   0.00001   0.00031  -0.00003   0.00029   1.95445
   A252       1.95961  -0.00000   0.00021  -0.00002   0.00018   1.95978
   A253       1.89394  -0.00000  -0.00022   0.00007  -0.00016   1.89379
   A254       1.91061  -0.00000  -0.00004  -0.00002  -0.00005   1.91055
   A255       1.93742   0.00000   0.00005   0.00001   0.00006   1.93747
   A256       1.93722   0.00000   0.00003   0.00000   0.00004   1.93726
   A257       1.89091  -0.00000  -0.00002  -0.00000  -0.00003   1.89088
   A258       1.89051   0.00000  -0.00003   0.00000  -0.00003   1.89048
   A259       1.89598  -0.00000   0.00001   0.00000   0.00001   1.89599
   A260       1.88121   0.00000   0.00001   0.00001   0.00002   1.88123
   A261       1.89106  -0.00000  -0.00003  -0.00002  -0.00005   1.89100
   A262       1.89396   0.00000  -0.00001   0.00004   0.00003   1.89398
   A263       1.94734   0.00000   0.00001  -0.00001  -0.00000   1.94734
   A264       1.95131  -0.00000   0.00001  -0.00002  -0.00001   1.95130
   A265       1.89734   0.00000   0.00001   0.00000   0.00002   1.89735
   A266       1.93714  -0.00000   0.00001  -0.00001   0.00000   1.93715
   A267       1.91351   0.00000  -0.00002   0.00001  -0.00000   1.91351
   A268       1.93458  -0.00000   0.00002  -0.00002   0.00000   1.93458
   A269       1.89203  -0.00000  -0.00002   0.00000  -0.00002   1.89201
   A270       1.89324   0.00000   0.00000   0.00001   0.00001   1.89324
   A271       1.89223   0.00000  -0.00000   0.00000  -0.00000   1.89223
   A272       1.89725   0.00003  -0.00008   0.00032   0.00024   1.89749
   A273       1.65114  -0.00002   0.00063  -0.00035   0.00028   1.65142
   A274       1.72757   0.00003   0.00035   0.00003   0.00039   1.72796
   A275       1.81328   0.00003  -0.00056   0.00005  -0.00051   1.81277
   A276       1.23163   0.00000   0.00092   0.00006   0.00098   1.23261
   A277       1.33821   0.00001   0.00044   0.00006   0.00051   1.33872
   A278       0.55630  -0.00000   0.00065   0.00001   0.00065   0.55695
    D1        0.01092  -0.00000   0.00003  -0.00002   0.00001   0.01093
    D2        3.11112   0.00000  -0.00005  -0.00004  -0.00009   3.11102
    D3       -3.13043  -0.00000   0.00008  -0.00003   0.00005  -3.13038
    D4       -0.03023   0.00000  -0.00000  -0.00005  -0.00005  -0.03028
    D5       -0.03101   0.00000  -0.00001   0.00004   0.00003  -0.03099
    D6        3.10429   0.00000   0.00008   0.00002   0.00010   3.10439
    D7        3.11033   0.00000  -0.00005   0.00004  -0.00001   3.11032
    D8       -0.03755   0.00000   0.00004   0.00003   0.00006  -0.03749
    D9        2.49487  -0.00000  -0.00030  -0.00006  -0.00035   2.49451
   D10       -0.64740  -0.00000  -0.00027  -0.00006  -0.00034  -0.64773
   D11       -0.64647  -0.00000  -0.00025  -0.00006  -0.00031  -0.64679
   D12        2.49445  -0.00000  -0.00023  -0.00007  -0.00030   2.49415
   D13        0.03384  -0.00000  -0.00002  -0.00002  -0.00004   0.03380
   D14       -3.02177   0.00000  -0.00047   0.00014  -0.00033  -3.02210
   D15       -3.06604  -0.00000   0.00005   0.00001   0.00006  -3.06598
   D16        0.16153   0.00000  -0.00039   0.00016  -0.00023   0.16131
   D17       -0.05909   0.00000  -0.00001   0.00004   0.00003  -0.05906
   D18        3.04892   0.00000  -0.00034   0.00023  -0.00011   3.04881
   D19        3.00071  -0.00000   0.00040  -0.00011   0.00029   3.00100
   D20       -0.17447   0.00000   0.00007   0.00008   0.00015  -0.17432
   D21       -2.91258  -0.00001  -0.00026  -0.00050  -0.00076  -2.91335
   D22        0.35890  -0.00001  -0.00077  -0.00042  -0.00120   0.35770
   D23        0.31455  -0.00001  -0.00069  -0.00035  -0.00104   0.31351
   D24       -2.69716  -0.00001  -0.00120  -0.00026  -0.00147  -2.69863
   D25        0.04018  -0.00000   0.00003  -0.00002   0.00000   0.04019
   D26       -3.11500  -0.00000  -0.00003  -0.00005  -0.00009  -3.11509
   D27       -3.06781  -0.00000   0.00036  -0.00022   0.00014  -3.06767
   D28        0.06019  -0.00000   0.00030  -0.00025   0.00005   0.06025
   D29       -0.39072  -0.00000   0.00231   0.00010   0.00242  -0.38830
   D30        2.82385  -0.00000   0.00212  -0.00000   0.00212   2.82597
   D31        2.71717   0.00000   0.00198   0.00030   0.00228   2.71945
   D32       -0.35144   0.00000   0.00179   0.00019   0.00198  -0.34946
   D33        0.00567  -0.00000  -0.00002  -0.00001  -0.00003   0.00563
   D34       -3.12963  -0.00000  -0.00011   0.00000  -0.00011  -3.12974
   D35       -3.12198   0.00000   0.00004   0.00002   0.00006  -3.12193
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   D37        0.12975   0.00001  -0.00118   0.00041  -0.00077   0.12897
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   D258      -3.12147  -0.00000  -0.00003  -0.00004  -0.00008  -3.12154
   D259       0.01488  -0.00000  -0.00007  -0.00003  -0.00010   0.01478
   D260       0.00200  -0.00000   0.00001  -0.00000   0.00000   0.00200
   D261       3.11264   0.00000  -0.00001   0.00007   0.00007   3.11271
   D262      -3.12908  -0.00000  -0.00006  -0.00004  -0.00010  -3.12918
   D263      -0.01844   0.00000  -0.00007   0.00004  -0.00003  -0.01847
   D264      -3.12195  -0.00000  -0.00003  -0.00005  -0.00009  -3.12204
   D265       0.01464  -0.00000  -0.00007  -0.00004  -0.00011   0.01453
   D266       0.00576   0.00000   0.00005  -0.00000   0.00005   0.00581
   D267      -3.14083   0.00000   0.00001   0.00001   0.00002  -3.14081
   D268       3.12135   0.00000   0.00003   0.00005   0.00008   3.12144
   D269      -0.01337   0.00000   0.00003   0.00004   0.00006  -0.01331
   D270       0.01769  -0.00000   0.00005  -0.00004   0.00000   0.01769
   D271      -3.11703  -0.00000   0.00004  -0.00006  -0.00002  -3.11705
   D272       0.00183  -0.00000   0.00001  -0.00001  -0.00000   0.00183
   D273      -3.12923  -0.00000  -0.00001  -0.00003  -0.00004  -3.12927
   D274       3.11262  -0.00000  -0.00003   0.00000  -0.00003   3.11260
   D275      -0.01844  -0.00000  -0.00005  -0.00002  -0.00007  -0.01851
   D276       3.12148   0.00000  -0.00001   0.00002   0.00001   3.12149
   D277      -0.01250   0.00000  -0.00002   0.00004   0.00002  -0.01248
   D278       0.01763   0.00000   0.00004   0.00001   0.00005   0.01767
   D279      -3.11635   0.00000   0.00003   0.00002   0.00005  -3.11630
   D280      -0.00224   0.00000  -0.00001   0.00001  -0.00001  -0.00225
   D281       3.12672   0.00000  -0.00000   0.00005   0.00005   3.12677
   D282       3.12671   0.00000   0.00001   0.00003   0.00004   3.12675
   D283      -0.02751   0.00000   0.00002   0.00007   0.00009  -0.02742
   D284       0.00577   0.00000   0.00003   0.00001   0.00004   0.00582
   D285      -3.14098   0.00000  -0.00002   0.00003   0.00001  -3.14097
   D286      -3.12192  -0.00000   0.00001  -0.00001  -0.00001  -3.12192
   D287       0.01452  -0.00000  -0.00004   0.00000  -0.00004   0.01448
   D288       0.00185  -0.00000   0.00001   0.00000   0.00001   0.00186
   D289       3.11285   0.00000  -0.00003   0.00002  -0.00001   3.11284
   D290      -3.12922  -0.00000   0.00000  -0.00004  -0.00003  -3.12926
   D291      -0.01823  -0.00000  -0.00004  -0.00002  -0.00006  -0.01829
   D292      -3.12192  -0.00000   0.00002  -0.00004  -0.00002  -3.12194
   D293       0.01464  -0.00000  -0.00001  -0.00003  -0.00004   0.01460
   D294       0.00579   0.00000   0.00003   0.00001   0.00004   0.00583
   D295      -3.14084   0.00000   0.00000   0.00002   0.00002  -3.14082
   D296       3.12149   0.00000  -0.00002   0.00003   0.00001   3.12151
   D297      -0.01340   0.00000  -0.00006   0.00006  -0.00001  -0.01340
   D298       0.01739   0.00000   0.00003   0.00001   0.00004   0.01743
   D299      -3.11750   0.00000  -0.00001   0.00004   0.00002  -3.11747
   D300      -0.00179   0.00000  -0.00001  -0.00000  -0.00001  -0.00180
   D301       3.12948   0.00000  -0.00000   0.00003   0.00003   3.12951
   D302      -3.11367  -0.00000   0.00005  -0.00001   0.00004  -3.11363
   D303       0.01760   0.00000   0.00006   0.00002   0.00007   0.01767
   D304      -3.12199  -0.00000   0.00003  -0.00002   0.00001  -3.12198
   D305       0.01300  -0.00000   0.00004  -0.00004   0.00001   0.01301
   D306      -0.01679  -0.00000  -0.00005  -0.00000  -0.00005  -0.01684
   D307       3.11820  -0.00000  -0.00003  -0.00002  -0.00005   3.11815
   D308       0.00218  -0.00000   0.00002  -0.00000   0.00001   0.00219
   D309      -3.12728  -0.00000  -0.00001  -0.00003  -0.00004  -3.12732
   D310      -3.12701  -0.00000   0.00001  -0.00004  -0.00002  -3.12703
   D311       0.02672  -0.00000  -0.00002  -0.00007  -0.00008   0.02663
   D312      -0.00558  -0.00000  -0.00003  -0.00002  -0.00005  -0.00563
   D313       3.14095  -0.00000   0.00001  -0.00003  -0.00002   3.14093
   D314       3.12237   0.00000  -0.00003   0.00002  -0.00001   3.12236
   D315      -0.01429   0.00000   0.00002   0.00000   0.00002  -0.01426
   D316      -0.00179   0.00000  -0.00002   0.00000  -0.00002  -0.00181
   D317      -3.11394   0.00000   0.00003   0.00000   0.00003  -3.11392
   D318       3.12970   0.00000   0.00000   0.00003   0.00003   3.12973
   D319       0.01755   0.00000   0.00005   0.00003   0.00007   0.01763
   D320       3.12268   0.00000  -0.00000   0.00002   0.00002   3.12270
   D321      -0.01398   0.00000   0.00004   0.00001   0.00005  -0.01393
   D322      -0.00557  -0.00000  -0.00003  -0.00001  -0.00005  -0.00562
   D323       3.14096  -0.00000   0.00001  -0.00003  -0.00002   3.14095
   D324      -3.12226  -0.00000   0.00002  -0.00002  -0.00000  -3.12227
   D325       0.01276  -0.00000   0.00004  -0.00004  -0.00001   0.01275
   D326      -0.01674  -0.00000  -0.00004  -0.00002  -0.00006  -0.01680
   D327       3.11829  -0.00000  -0.00002  -0.00004  -0.00006   3.11822
   D328       0.00681  -0.00000  -0.00001  -0.00002  -0.00003   0.00678
   D329      -3.13995  -0.00000   0.00003  -0.00003   0.00001  -3.13994
   D330      -3.12978  -0.00000   0.00003  -0.00003  -0.00000  -3.12978
   D331       0.00666  -0.00000   0.00007  -0.00004   0.00003   0.00669
   D332      -0.00741   0.00000  -0.00001   0.00001  -0.00000  -0.00741
   D333       3.13097   0.00000  -0.00001   0.00001   0.00001   3.13097
   D334       3.13933   0.00000  -0.00005   0.00002  -0.00004   3.13929
   D335      -0.00548   0.00000  -0.00005   0.00002  -0.00003  -0.00551
   D336      -0.00483   0.00000  -0.00001   0.00002   0.00001  -0.00481
   D337       3.12992   0.00000   0.00000   0.00003   0.00003   3.12995
   D338       3.13997   0.00000  -0.00001   0.00002   0.00000   3.13997
   D339      -0.00847   0.00000  -0.00000   0.00003   0.00002  -0.00844
   D340      -0.00476   0.00000  -0.00001   0.00002   0.00001  -0.00476
   D341       3.14047   0.00000  -0.00001   0.00002   0.00001   3.14048
   D342       3.12920   0.00000   0.00002   0.00000   0.00002   3.12922
   D343      -0.00876   0.00000   0.00002   0.00000   0.00002  -0.00874
   D344      -0.00764  -0.00000  -0.00000   0.00000  -0.00000  -0.00764
   D345       3.13955  -0.00000  -0.00004   0.00001  -0.00003   3.13952
   D346       3.13030   0.00000  -0.00000   0.00000  -0.00000   3.13030
   D347      -0.00570   0.00000  -0.00004   0.00001  -0.00003  -0.00572
   D348       0.00693  -0.00000  -0.00001  -0.00001  -0.00002   0.00691
   D349      -3.12940  -0.00000   0.00003  -0.00003  -0.00000  -3.12940
   D350      -3.14027  -0.00000   0.00002  -0.00002   0.00000  -3.14026
   D351       0.00658  -0.00000   0.00006  -0.00003   0.00003   0.00661
   D352       0.00664   0.00000  -0.00001   0.00000  -0.00001   0.00664
   D353      -3.14006  -0.00000   0.00003  -0.00001   0.00002  -3.14004
   D354      -3.12990   0.00000   0.00002  -0.00001   0.00001  -3.12989
   D355       0.00658  -0.00000   0.00005  -0.00002   0.00004   0.00661
   D356      -0.00734  -0.00000   0.00000  -0.00001  -0.00001  -0.00735
   D357       3.13107  -0.00000  -0.00001  -0.00000  -0.00001   3.13106
   D358       3.13935  -0.00000  -0.00004   0.00000  -0.00003   3.13932
   D359      -0.00542  -0.00000  -0.00004   0.00001  -0.00003  -0.00545
   D360      -0.00467  -0.00000  -0.00001   0.00000  -0.00001  -0.00468
   D361       3.13024  -0.00000   0.00003  -0.00002   0.00001   3.13025
   D362       3.14009  -0.00000  -0.00001  -0.00000  -0.00001   3.14008
   D363      -0.00818  -0.00000   0.00004  -0.00003   0.00001  -0.00817
   D364      -0.00470   0.00000  -0.00001   0.00001  -0.00000  -0.00470
   D365       3.14053  -0.00000   0.00000   0.00000   0.00000   3.14053
   D366       3.12930  -0.00000  -0.00000  -0.00001  -0.00001   3.12929
   D367      -0.00865  -0.00000   0.00001  -0.00001  -0.00001  -0.00866
   D368      -0.00754  -0.00000  -0.00000  -0.00001  -0.00002  -0.00755
   D369       3.13956  -0.00000  -0.00004   0.00001  -0.00003   3.13953
   D370       3.13041  -0.00000  -0.00002  -0.00001  -0.00002   3.13039
   D371      -0.00569  -0.00000  -0.00005   0.00001  -0.00004  -0.00572
   D372       0.00686   0.00000  -0.00001   0.00000  -0.00001   0.00685
   D373      -3.12957  -0.00000   0.00004  -0.00002   0.00003  -3.12954
   D374      -3.14025  -0.00000   0.00003  -0.00002   0.00001  -3.14024
   D375       0.00651  -0.00000   0.00008  -0.00004   0.00004   0.00656
   D376      -0.00641  -0.00000   0.00001  -0.00000   0.00000  -0.00641
   D377       3.14020   0.00000  -0.00002   0.00001  -0.00002   3.14019
   D378       3.13023  -0.00000  -0.00004   0.00001  -0.00003   3.13020
   D379      -0.00634  -0.00000  -0.00006   0.00002  -0.00005  -0.00638
   D380       0.00709   0.00000   0.00000   0.00001   0.00002   0.00711
   D381      -3.13125   0.00000   0.00001   0.00001   0.00002  -3.13123
   D382      -3.13951   0.00000   0.00003   0.00000   0.00003  -3.13947
   D383       0.00533   0.00000   0.00004  -0.00000   0.00004   0.00537
   D384       0.00448   0.00000   0.00001  -0.00000   0.00001   0.00449
   D385      -3.13057   0.00000  -0.00001   0.00002   0.00002  -3.13056
   D386      -3.14035   0.00000   0.00000   0.00000   0.00001  -3.14035
   D387       0.00779   0.00000  -0.00002   0.00003   0.00001   0.00780
   D388       0.00449  -0.00000   0.00001  -0.00001   0.00001   0.00450
   D389      -3.14027   0.00000   0.00001  -0.00000   0.00001  -3.14026
   D390      -3.13052   0.00000  -0.00000   0.00001   0.00000  -3.13051
   D391       0.00791   0.00000  -0.00001   0.00001   0.00001   0.00791
   D392       0.00711   0.00000   0.00001   0.00001   0.00002   0.00712
   D393      -3.13944   0.00000   0.00004  -0.00000   0.00004  -3.13940
   D394      -3.13131   0.00000   0.00001   0.00000   0.00002  -3.13129
   D395       0.00533   0.00000   0.00005  -0.00001   0.00004   0.00537
   D396      -0.00643   0.00000   0.00000   0.00000   0.00001  -0.00642
   D397       3.13022   0.00000  -0.00004   0.00002  -0.00002   3.13020
   D398       3.14013   0.00000  -0.00003   0.00002  -0.00001   3.14012
   D399      -0.00641   0.00000  -0.00008   0.00003  -0.00005  -0.00645
   D400       1.62015  -0.00000   0.00150   0.00002   0.00153   1.62168
   D401      -0.64284  -0.00000   0.00127   0.00007   0.00135  -0.64149
   D402      -2.86300   0.00000   0.00099   0.00002   0.00102  -2.86199
   D403      -3.09382   0.00000   0.00021   0.00017   0.00038  -3.09344
   D404      -0.91895   0.00000   0.00006   0.00012   0.00018  -0.91877
   D405       1.29938   0.00001   0.00063   0.00019   0.00083   1.30021
   D406       2.72732   0.00001  -0.00233   0.00034  -0.00197   2.72535
   D407      -1.44595   0.00001  -0.00213   0.00031  -0.00180  -1.44775
   D408       0.60211   0.00001  -0.00248   0.00035  -0.00211   0.60000
   D409       3.00691  -0.00001  -0.00077  -0.00065  -0.00142   3.00549
   D410      -1.16652  -0.00001  -0.00077  -0.00067  -0.00144  -1.16796
   D411       0.89072  -0.00001  -0.00079  -0.00065  -0.00144   0.88928
   D412       3.11398  -0.00000  -0.00014   0.00000  -0.00015   3.11384
   D413      -1.08257  -0.00000  -0.00017  -0.00001  -0.00018  -1.08275
   D414       1.02797  -0.00000  -0.00010   0.00000  -0.00010   1.02787
   D415       1.05123   0.00000  -0.00004   0.00004   0.00000   1.05123
   D416       3.13786   0.00000  -0.00006   0.00003  -0.00003   3.13783
   D417      -1.03479   0.00000   0.00000   0.00005   0.00005  -1.03474
   D418      -1.08437   0.00000  -0.00013  -0.00001  -0.00014  -1.08451
   D419       1.00226   0.00000  -0.00016  -0.00002  -0.00017   1.00209
   D420       3.11280   0.00000  -0.00009  -0.00001  -0.00009   3.11270
   D421       1.29744  -0.00000   0.00131  -0.00012   0.00120   1.29864
   D422      -2.92424  -0.00001   0.00120  -0.00010   0.00112  -2.92312
   D423      -0.75163  -0.00001   0.00152  -0.00010   0.00143  -0.75020
   D424      -1.39471  -0.00001  -0.00076  -0.00014  -0.00089  -1.39561
   D425       2.81389  -0.00001  -0.00068  -0.00019  -0.00086   2.81303
   D426       0.64451  -0.00001  -0.00106  -0.00018  -0.00124   0.64327
   D427       1.04774  -0.00000  -0.00011  -0.00005  -0.00016   1.04758
   D428       3.13746  -0.00000  -0.00013  -0.00005  -0.00018   3.13728
   D429      -1.05736  -0.00000  -0.00013  -0.00004  -0.00018  -1.05754
   D430      -1.02641   0.00000  -0.00007  -0.00003  -0.00010  -1.02651
   D431       1.06332   0.00000  -0.00010  -0.00002  -0.00012   1.06319
   D432      -3.13151   0.00000  -0.00010  -0.00002  -0.00012  -3.13163
   D433       3.12777   0.00000  -0.00010  -0.00001  -0.00012   3.12765
   D434      -1.06569   0.00000  -0.00013  -0.00001  -0.00013  -1.06583
   D435       1.02267   0.00000  -0.00013  -0.00000  -0.00013   1.02254
   D436      -1.36370  -0.00000   0.00113  -0.00004   0.00111  -1.36260
   D437      -1.26075  -0.00001   0.00039  -0.00002   0.00036  -1.26039
   D438       0.41474   0.00001  -0.00060   0.00000  -0.00060   0.41414
   D439       1.08429   0.00001   0.00237   0.00004   0.00243   1.08672
   D440       0.90783  -0.00000   0.00171   0.00007   0.00177   0.90960
   D441      -0.39316   0.00001   0.00054   0.00006   0.00059  -0.39257
         Item               Value     Threshold  Converged?
 Maximum Force            0.000125     0.000450     YES
 RMS     Force            0.000009     0.000300     YES
 Maximum Displacement     0.024940     0.001800     NO 
 RMS     Displacement     0.005206     0.001200     NO 
 Predicted change in Energy=-7.417193D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.835984    2.897902    0.555333
      2          6           0       -2.067805    1.522412    0.684677
      3          6           0       -1.018751    0.595956    0.724148
      4          6           0        0.307516    1.072331    0.672094
      5          6           0        0.548748    2.442518    0.511309
      6          6           0       -0.504341    3.342477    0.450231
      7          6           0       -1.235640   -0.864616    0.711974
      8          6           0       -0.168978   -1.742160    1.030245
      9          6           0        1.120518   -1.155616    1.538332
     10          6           0        1.433763    0.137694    0.829014
     11          6           0       -2.438008   -1.403887    0.241121
     12          6           0       -2.617362   -2.778882    0.042300
     13          6           0       -1.519074   -3.618492    0.275462
     14          6           0       -0.318793   -3.104602    0.749673
     15          7           0        2.229978   -2.045817    1.695862
     16          6           0        3.524053   -1.636981    1.252406
     17          6           0        3.672215   -0.374885    0.634114
     18          7           0        2.608733    0.491645    0.441385
     19          6           0        4.663781   -2.450339    1.351527
     20          6           0        5.895380   -2.012878    0.880151
     21          6           0        6.061727   -0.753367    0.276458
     22          6           0        4.923928    0.043822    0.161460
     23          6           0       -2.964305    3.859893    0.530231
     24          6           0       -3.910068   -3.314173   -0.446979
     25          6           0        7.382279   -0.298458   -0.220237
     26          6           0       -3.959163   -4.385793   -1.354654
     27          6           0       -5.172048   -4.882565   -1.821153
     28          6           0       -6.379168   -4.329737   -1.374229
     29          6           0       -6.347369   -3.267659   -0.461523
     30          6           0       -5.129266   -2.764932   -0.014964
     31          6           0       -2.856573    5.118132    1.147046
     32          6           0       -3.914594    6.021594    1.136654
     33          6           0       -5.112392    5.697119    0.487035
     34          6           0       -5.232229    4.451159   -0.141649
     35          6           0       -4.175469    3.546749   -0.110086
     36          6           0        8.294698   -1.200846   -0.792772
     37          6           0        9.531418   -0.775638   -1.268242
     38          6           0        9.899441    0.571902   -1.168332
     39          6           0        9.004570    1.482870   -0.592994
     40          6           0        7.763726    1.051347   -0.134768
     41          7           0       -6.190249    6.618688    0.465058
     42          7           0       -7.617817   -4.839287   -1.840234
     43          7           0       11.162885    1.008610   -1.643990
     44          6           0       -8.023940   -6.179291   -1.791499
     45          6           0       -9.321253   -6.287901   -2.353630
     46          6           0       -9.715563   -4.955765   -2.762070
     47          6           0       -8.643827   -4.088865   -2.429492
     48          6           0       -7.503067    6.355004    0.876960
     49          6           0       -8.284918    7.524729    0.700029
     50          6           0       -7.406780    8.539009    0.155109
     51          6           0       -6.124748    7.947093    0.024926
     52          6           0       11.379896    2.040606   -2.565823
     53          6           0       12.774257    2.175710   -2.786293
     54          6           0       13.428563    1.183227   -1.959486
     55          6           0       12.405887    0.481969   -1.271230
     56          6           0      -10.857782   -4.434936   -3.380922
     57          6           0      -10.914672   -3.073659   -3.663992
     58          6           0       -9.837306   -2.231330   -3.341338
     59          6           0       -8.689151   -2.723566   -2.724659
     60          6           0       -7.360880   -7.289955   -1.262327
     61          6           0       -8.008957   -8.521666   -1.323561
     62          6           0       -9.287941   -8.649803   -1.891116
     63          6           0       -9.949410   -7.537641   -2.403020
     64          6           0       -7.595951    9.868801   -0.238292
     65          6           0       -6.519689   10.582168   -0.757180
     66          6           0       -5.259587    9.975508   -0.893247
     67          6           0       -5.043719    8.653940   -0.508945
     68          6           0       -8.045459    5.188541    1.423296
     69          6           0       -9.394130    5.202383    1.772159
     70          6           0      -10.187018    6.347961    1.589354
     71          6           0       -9.637777    7.511154    1.058523
     72          6           0       14.767908    0.842755   -1.737653
     73          6           0       15.068893   -0.175626   -0.838285
     74          6           0       14.043766   -0.850419   -0.153943
     75          6           0       12.702696   -0.532129   -0.356417
     76          6           0       10.451638    2.835922   -3.243431
     77          6           0       10.942065    3.787708   -4.134648
     78          6           0       12.321111    3.944876   -4.354205
     79          6           0       13.239969    3.140570   -3.686973
     80          8           0        0.757218   -3.506257    3.482835
     81         15           0        2.090309   -3.339967    2.876450
     82          8           0        3.311440   -3.132999    3.895520
     83          8           0        2.625630   -4.566107    1.978952
     84          6           0        3.148122   -2.356480    5.124113
     85          6           0        4.204949   -2.822704    6.104563
     86          6           0        2.624223   -5.901013    2.565805
     87          6           0        2.982098   -6.887566    1.472731
     88          1           0       -3.089088    1.175605    0.795007
     89          1           0        1.576498    2.781458    0.449088
     90          1           0       -0.299896    4.399664    0.314247
     91          1           0       -3.236178   -0.732085   -0.052253
     92          1           0       -1.606575   -4.686440    0.104679
     93          1           0        0.512680   -3.782719    0.874292
     94          1           0        4.602458   -3.431843    1.794110
     95          1           0        6.754012   -2.665197    1.004586
     96          1           0        4.957273    1.012532   -0.325075
     97          1           0       -3.034346   -4.809540   -1.733439
     98          1           0       -5.190898   -5.685932   -2.549897
     99          1           0       -7.279405   -2.856024   -0.089134
    100          1           0       -5.123631   -1.960901    0.714435
    101          1           0       -1.946368    5.376281    1.679129
    102          1           0       -3.826762    6.973343    1.649778
    103          1           0       -6.146689    4.206919   -0.671716
    104          1           0       -4.277090    2.597854   -0.627516
    105          1           0        8.016977   -2.244259   -0.905656
    106          1           0       10.209004   -1.480125   -1.738954
    107          1           0        9.295533    2.522730   -0.488129
    108          1           0        7.094341    1.767249    0.331922
    109          1           0      -11.686682   -5.087163   -3.640669
    110          1           0      -11.795819   -2.657488   -4.142377
    111          1           0       -9.896509   -1.173339   -3.579209
    112          1           0       -7.858162   -2.068238   -2.488964
    113          1           0       -6.378720   -7.198305   -0.812303
    114          1           0       -7.513214   -9.399535   -0.919767
    115          1           0       -9.764261   -9.624737   -1.924796
    116          1           0      -10.942810   -7.635788   -2.831354
    117          1           0       -8.572356   10.335315   -0.143577
    118          1           0       -6.653514   11.614726   -1.064480
    119          1           0       -4.434260   10.545620   -1.309499
    120          1           0       -4.070649    8.190576   -0.627201
    121          1           0       -7.438304    4.303725    1.578317
    122          1           0       -9.838483    4.307413    2.197633
    123          1           0      -11.235426    6.324574    1.870069
    124          1           0      -10.248851    8.399701    0.927980
    125          1           0       15.561672    1.370881   -2.258242
    126          1           0       16.103904   -0.449644   -0.658803
    127          1           0       14.299310   -1.635867    0.551257
    128          1           0       11.918237   -1.050793    0.183272
    129          1           0        9.385542    2.714389   -3.087588
    130          1           0       10.240207    4.418550   -4.672136
    131          1           0       12.670035    4.697739   -5.054189
    132          1           0       14.305289    3.255768   -3.865348
    133          1           0        3.265076   -1.300521    4.868049
    134          1           0        2.135152   -2.511406    5.502185
    135          1           0        4.128400   -2.239898    7.027895
    136          1           0        4.070860   -3.879453    6.352519
    137          1           0        5.208905   -2.684952    5.693437
    138          1           0        3.355492   -5.920081    3.380599
    139          1           0        1.631184   -6.097039    2.980844
    140          1           0        3.970346   -6.671088    1.057929
    141          1           0        2.994118   -7.902280    1.882644
    142          1           0        2.250272   -6.851488    0.661279
    143         17           0        0.733597   -0.354414    3.403382
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177652           0.0074046           0.0058232
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13524.0879060134 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.75D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000203   -0.000016    0.000261 Ang=  -0.04 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.68068993     A.U. after    9 cycles
            NFock=  9  Conv=0.75D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000006824   -0.000005521   -0.000000212
      2        6          -0.000003851    0.000009335   -0.000008636
      3        6           0.000007361   -0.000011970    0.000001834
      4        6           0.000011365    0.000004029    0.000015007
      5        6          -0.000003843   -0.000001678   -0.000010669
      6        6           0.000006975    0.000005439   -0.000003912
      7        6          -0.000002969    0.000007658    0.000007342
      8        6          -0.000015017   -0.000026042   -0.000017986
      9        6          -0.000042806    0.000021309    0.000068728
     10        6          -0.000004599    0.000049694   -0.000025034
     11        6          -0.000006597   -0.000013970   -0.000002394
     12        6           0.000018361    0.000020000    0.000009099
     13        6          -0.000004463   -0.000002723    0.000005255
     14        6          -0.000002800    0.000006012   -0.000008904
     15        7           0.000076964   -0.000016227   -0.000047807
     16        6          -0.000022735   -0.000011609    0.000012799
     17        6          -0.000035331    0.000024784   -0.000004827
     18        7           0.000021705   -0.000031485    0.000004951
     19        6          -0.000001200    0.000001497    0.000001409
     20        6           0.000001080   -0.000006431    0.000002752
     21        6          -0.000009971    0.000004290    0.000001935
     22        6           0.000013113   -0.000000600   -0.000002119
     23        6           0.000008005   -0.000003207   -0.000000240
     24        6          -0.000018333   -0.000014367   -0.000007261
     25        6           0.000003190   -0.000000657   -0.000002257
     26        6           0.000005167    0.000008931    0.000008524
     27        6          -0.000009748   -0.000001131   -0.000003410
     28        6           0.000001662   -0.000002172   -0.000003541
     29        6          -0.000002444   -0.000006813   -0.000000930
     30        6           0.000012177    0.000003536   -0.000000009
     31        6          -0.000003616   -0.000002915    0.000004017
     32        6          -0.000002509    0.000000321    0.000000152
     33        6          -0.000000311   -0.000001474   -0.000000411
     34        6          -0.000003613    0.000004372    0.000001447
     35        6           0.000002521    0.000001464   -0.000004169
     36        6          -0.000004878    0.000000091    0.000002130
     37        6           0.000002382    0.000005836   -0.000000794
     38        6           0.000004784    0.000001946   -0.000002276
     39        6           0.000003624    0.000001774   -0.000000477
     40        6          -0.000001341   -0.000005532    0.000000157
     41        7          -0.000011500    0.000003481    0.000000283
     42        7          -0.000012597   -0.000007712   -0.000000439
     43        7           0.000005474    0.000002831   -0.000000506
     44        6          -0.000001253    0.000017438    0.000011691
     45        6          -0.000005051   -0.000004406    0.000003111
     46        6          -0.000001786   -0.000001709   -0.000007232
     47        6           0.000022472   -0.000001859   -0.000005179
     48        6           0.000017748    0.000005515   -0.000000464
     49        6          -0.000004088    0.000002095    0.000004707
     50        6          -0.000004233    0.000000725   -0.000005589
     51        6           0.000005313   -0.000013758   -0.000000610
     52        6          -0.000001871   -0.000013005    0.000004095
     53        6           0.000002067    0.000000404   -0.000005299
     54        6           0.000003733    0.000003817    0.000003043
     55        6          -0.000014691    0.000000841    0.000000508
     56        6          -0.000001424    0.000004425    0.000000388
     57        6          -0.000004280   -0.000007169    0.000000797
     58        6           0.000004221    0.000001670    0.000002151
     59        6          -0.000005405    0.000001508    0.000002411
     60        6           0.000002580   -0.000003873   -0.000003272
     61        6           0.000002883    0.000003294    0.000001770
     62        6          -0.000005698   -0.000000744   -0.000005285
     63        6           0.000003622   -0.000002515    0.000001383
     64        6           0.000002983    0.000002609    0.000000267
     65        6          -0.000007610    0.000000801    0.000002648
     66        6           0.000002799   -0.000003374   -0.000000417
     67        6          -0.000000492    0.000004814    0.000002115
     68        6          -0.000004202   -0.000002623   -0.000001039
     69        6           0.000004656    0.000000004   -0.000000047
     70        6          -0.000005905    0.000005202   -0.000003187
     71        6          -0.000000042   -0.000003720    0.000001360
     72        6           0.000000508   -0.000002626    0.000001480
     73        6           0.000003788    0.000004728   -0.000004980
     74        6          -0.000003481   -0.000000622    0.000000797
     75        6           0.000002870   -0.000001513   -0.000001394
     76        6          -0.000000715    0.000004201   -0.000000289
     77        6          -0.000001993   -0.000003232    0.000001663
     78        6           0.000007004    0.000003696    0.000001328
     79        6          -0.000002897    0.000000972   -0.000001498
     80        8           0.000002959   -0.000001461    0.000000876
     81       15          -0.000016387    0.000004393    0.000011675
     82        8          -0.000006711   -0.000015486   -0.000006733
     83        8           0.000028641    0.000017744    0.000008774
     84        6           0.000011223    0.000056710    0.000010336
     85        6           0.000002843   -0.000000018   -0.000004320
     86        6          -0.000011920   -0.000007380   -0.000001129
     87        6          -0.000002693   -0.000002368   -0.000003507
     88        1          -0.000000873    0.000004457    0.000002059
     89        1           0.000000588   -0.000001408    0.000004474
     90        1          -0.000002189   -0.000000850   -0.000000089
     91        1          -0.000001010   -0.000003942    0.000006261
     92        1           0.000001657    0.000002925   -0.000007348
     93        1           0.000000025    0.000002378    0.000003938
     94        1          -0.000003032   -0.000005714    0.000005878
     95        1           0.000000042    0.000001014   -0.000002652
     96        1           0.000000007    0.000000230    0.000001678
     97        1          -0.000001418   -0.000001259   -0.000002591
     98        1           0.000003373    0.000001730    0.000001704
     99        1           0.000002289    0.000002185    0.000001287
    100        1          -0.000002461   -0.000000849    0.000000257
    101        1           0.000000728    0.000001063   -0.000001543
    102        1           0.000003033   -0.000001713   -0.000000167
    103        1           0.000003295   -0.000000620   -0.000000864
    104        1          -0.000000460   -0.000000368    0.000000403
    105        1           0.000001780    0.000000225   -0.000000583
    106        1          -0.000003200   -0.000002174    0.000000174
    107        1          -0.000002699   -0.000002197    0.000001559
    108        1           0.000000612    0.000001883   -0.000000095
    109        1           0.000000562   -0.000001633    0.000001158
    110        1           0.000001131    0.000001401   -0.000001261
    111        1          -0.000000294    0.000000194    0.000000126
    112        1          -0.000001914    0.000000270   -0.000000797
    113        1          -0.000001050   -0.000002215    0.000000687
    114        1           0.000000375   -0.000000396    0.000000077
    115        1           0.000000769   -0.000000309    0.000002000
    116        1          -0.000000447    0.000001219   -0.000000965
    117        1          -0.000000814   -0.000001996    0.000000872
    118        1           0.000001419   -0.000000010   -0.000001335
    119        1           0.000000802    0.000000081    0.000000448
    120        1          -0.000001217    0.000002106   -0.000003203
    121        1          -0.000002700   -0.000001301    0.000002407
    122        1           0.000000587   -0.000000812   -0.000000334
    123        1           0.000000943   -0.000001107    0.000001517
    124        1           0.000000858    0.000001518   -0.000001986
    125        1          -0.000001333    0.000000868   -0.000001752
    126        1          -0.000000522   -0.000000779    0.000001611
    127        1          -0.000000256   -0.000000747   -0.000000061
    128        1           0.000002647    0.000001165    0.000002535
    129        1           0.000000363    0.000001548   -0.000003390
    130        1          -0.000000827    0.000000092    0.000000178
    131        1          -0.000001648   -0.000000810   -0.000001337
    132        1           0.000001036   -0.000000602    0.000002108
    133        1          -0.000050328   -0.000028818   -0.000030110
    134        1           0.000016346   -0.000043862    0.000033536
    135        1          -0.000003952    0.000000988   -0.000002002
    136        1           0.000002005    0.000000055    0.000001635
    137        1           0.000000128   -0.000000294    0.000000632
    138        1           0.000004384    0.000001975   -0.000003587
    139        1           0.000000914    0.000001601    0.000003972
    140        1          -0.000000221    0.000000377    0.000000363
    141        1           0.000000015    0.000000278    0.000000518
    142        1          -0.000000493    0.000000111    0.000000543
    143       17           0.000040550    0.000004309   -0.000025051
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000076964 RMS     0.000010555

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000044689 RMS     0.000004810
 Search for a local minimum.
 Step number  30 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   20   21   22   23   24
                                                     25   26   27   28   29
                                                     30
 DE= -6.95D-07 DEPred=-7.42D-07 R= 9.37D-01
 Trust test= 9.37D-01 RLast= 2.31D-02 DXMaxT set to 6.22D-01
 ITU=  0  1  0  1 -1  1  1  1  1  1  1 -1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00144   0.00374   0.00418   0.00421   0.00676
     Eigenvalues ---    0.00716   0.00786   0.01526   0.01616   0.02047
     Eigenvalues ---    0.02258   0.02418   0.02580   0.02625   0.02642
     Eigenvalues ---    0.02692   0.02705   0.02708   0.02714   0.02715
     Eigenvalues ---    0.02724   0.02726   0.02729   0.02734   0.02738
     Eigenvalues ---    0.02752   0.02760   0.02770   0.02771   0.02774
     Eigenvalues ---    0.02775   0.02778   0.02782   0.02785   0.02786
     Eigenvalues ---    0.02788   0.02789   0.02791   0.02791   0.02792
     Eigenvalues ---    0.02792   0.02793   0.02793   0.02795   0.02797
     Eigenvalues ---    0.02801   0.02802   0.02803   0.02803   0.02805
     Eigenvalues ---    0.02806   0.02807   0.02808   0.02808   0.02808
     Eigenvalues ---    0.02810   0.02811   0.02813   0.02815   0.02817
     Eigenvalues ---    0.02817   0.02818   0.02818   0.02819   0.02819
     Eigenvalues ---    0.02822   0.02829   0.02832   0.02842   0.02844
     Eigenvalues ---    0.02845   0.02845   0.02846   0.02847   0.02849
     Eigenvalues ---    0.02851   0.02852   0.02865   0.02867   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02872   0.02872   0.02873
     Eigenvalues ---    0.02876   0.02877   0.02878   0.02878   0.02879
     Eigenvalues ---    0.02879   0.02882   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02886   0.02886   0.02887
     Eigenvalues ---    0.02891   0.02892   0.02893   0.02896   0.02897
     Eigenvalues ---    0.02898   0.02899   0.02899   0.02899   0.02903
     Eigenvalues ---    0.02907   0.02910   0.02915   0.02938   0.02942
     Eigenvalues ---    0.02949   0.02976   0.03024   0.03025   0.03026
     Eigenvalues ---    0.03054   0.03131   0.03133   0.03134   0.03135
     Eigenvalues ---    0.03150   0.03183   0.03236   0.03407   0.03505
     Eigenvalues ---    0.04003   0.04375   0.04667   0.05376   0.05562
     Eigenvalues ---    0.05578   0.05613   0.05726   0.05743   0.05779
     Eigenvalues ---    0.07577   0.08906   0.09315   0.10493   0.11034
     Eigenvalues ---    0.11430   0.11668   0.12628   0.13658   0.15250
     Eigenvalues ---    0.15610   0.15800   0.15897   0.15934   0.15966
     Eigenvalues ---    0.15973   0.15984   0.15986   0.15986   0.15987
     Eigenvalues ---    0.15988   0.15992   0.15996   0.15996   0.15996
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16003   0.16004
     Eigenvalues ---    0.16006   0.16011   0.16046   0.16091   0.16108
     Eigenvalues ---    0.16185   0.16742   0.17297   0.18758   0.19893
     Eigenvalues ---    0.20879   0.21997   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22000   0.22002   0.22002
     Eigenvalues ---    0.22012   0.22379   0.22410   0.22503   0.22600
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22603   0.22695
     Eigenvalues ---    0.22947   0.22966   0.22991   0.23127   0.23260
     Eigenvalues ---    0.23423   0.23509   0.23706   0.23967   0.23999
     Eigenvalues ---    0.24193   0.24473   0.24486   0.24489   0.24490
     Eigenvalues ---    0.24519   0.24534   0.24751   0.24897   0.24980
     Eigenvalues ---    0.24984   0.24985   0.24985   0.24986   0.24987
     Eigenvalues ---    0.24992   0.24996   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25002   0.25004   0.25009   0.25017   0.25029
     Eigenvalues ---    0.25105   0.25110   0.25418   0.26454   0.27950
     Eigenvalues ---    0.28183   0.29202   0.29782   0.29788   0.30423
     Eigenvalues ---    0.32016   0.32098   0.32128   0.32141   0.32148
     Eigenvalues ---    0.32165   0.32180   0.32219   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33296   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33457   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33633   0.33638
     Eigenvalues ---    0.33640   0.33643   0.33648   0.33663   0.33702
     Eigenvalues ---    0.33722   0.33742   0.33820   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33922   0.33941
     Eigenvalues ---    0.33947   0.33955   0.33960   0.34456   0.34488
     Eigenvalues ---    0.34829   0.34919   0.35051   0.38243   0.40452
     Eigenvalues ---    0.41732   0.42396   0.44426   0.44429   0.44439
     Eigenvalues ---    0.44449   0.45451   0.46720   0.48735   0.48932
     Eigenvalues ---    0.48974   0.49070   0.49181   0.49367   0.49795
     Eigenvalues ---    0.49799   0.49812   0.49834   0.49852   0.49916
     Eigenvalues ---    0.50003   0.50162   0.50267   0.50398   0.50408
     Eigenvalues ---    0.50610   0.50614   0.50616   0.51410   0.51679
     Eigenvalues ---    0.51957   0.52419   0.52704   0.52787   0.53398
     Eigenvalues ---    0.54062   0.54112   0.54198   0.54200   0.54205
     Eigenvalues ---    0.54208   0.54402   0.54915   0.55125   0.55293
     Eigenvalues ---    0.55323   0.55342   0.55356   0.55387   0.55418
     Eigenvalues ---    0.55423   0.55478   0.55563   0.55626   0.55698
     Eigenvalues ---    0.55706   0.55748   0.55772   0.55939   0.55948
     Eigenvalues ---    0.56086   0.56147   0.56153   0.56154   0.56225
     Eigenvalues ---    0.56269   0.56309   0.56397   0.56654   0.56662
     Eigenvalues ---    0.56664   0.56670   0.56673   0.56682   0.56851
     Eigenvalues ---    0.56901   0.56914   0.56954   0.57127   0.57174
     Eigenvalues ---    0.57179   0.57191   0.57195   0.57210   0.57618
     Eigenvalues ---    0.61801   0.62381   0.65958   0.66056   0.67648
     Eigenvalues ---    0.67657   0.67660   0.68816   0.69913   0.70075
     Eigenvalues ---    0.71639   0.74924   0.80057
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    30   29   28   27   26   25   24   23   22   21
 RFO step:  Lambda=-3.68224256D-07.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 RFO-DIIS uses    5 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.68079   -0.25421   -0.47032    0.01567    0.02807
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00148109 RMS(Int)=  0.00000065
 Iteration  2 RMS(Cart)=  0.00000374 RMS(Int)=  0.00000038
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000038
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64727  -0.00000  -0.00003  -0.00000  -0.00003   2.64724
    R2        2.66040   0.00000   0.00001  -0.00000   0.00001   2.66041
    R3        2.80238  -0.00000   0.00006  -0.00003   0.00003   2.80242
    R4        2.64588   0.00001   0.00003   0.00000   0.00004   2.64592
    R5        2.04882  -0.00000  -0.00000   0.00000  -0.00000   2.04882
    R6        2.66487   0.00001  -0.00005   0.00004  -0.00001   2.66485
    R7        2.79044   0.00001   0.00001   0.00001   0.00002   2.79046
    R8        2.64660  -0.00000   0.00001  -0.00000   0.00001   2.64661
    R9        2.78156  -0.00001   0.00005  -0.00003   0.00002   2.78158
   R10        2.62029  -0.00000  -0.00001   0.00000  -0.00001   2.62028
   R11        2.04843  -0.00000   0.00000  -0.00000   0.00000   2.04844
   R12        2.05097  -0.00000   0.00000  -0.00000   0.00000   2.05097
   R13        2.67858   0.00000  -0.00002  -0.00000  -0.00002   2.67856
   R14        2.64440   0.00001   0.00003   0.00000   0.00004   2.64444
   R15        2.84401   0.00003   0.00016   0.00009   0.00025   2.84426
   R16        2.64387  -0.00001   0.00001  -0.00003  -0.00002   2.64385
   R17        2.84961   0.00003   0.00028   0.00006   0.00034   2.84995
   R18        2.70447   0.00004   0.00036   0.00012   0.00048   2.70495
   R19        3.90495  -0.00003  -0.00228  -0.00014  -0.00242   3.90252
   R20        2.43187  -0.00001  -0.00006  -0.00001  -0.00007   2.43180
   R21        2.64717  -0.00001  -0.00004  -0.00000  -0.00004   2.64713
   R22        2.04794  -0.00000  -0.00000   0.00000  -0.00000   2.04794
   R23        2.64936  -0.00000   0.00001  -0.00001   0.00000   2.64936
   R24        2.80102   0.00002   0.00001   0.00003   0.00004   2.80106
   R25        2.62504  -0.00000  -0.00002   0.00001  -0.00001   2.62504
   R26        2.05045  -0.00000   0.00001  -0.00001  -0.00000   2.05045
   R27        2.04118  -0.00000  -0.00000  -0.00001  -0.00001   2.04117
   R28        2.69803  -0.00004  -0.00002  -0.00003  -0.00006   2.69797
   R29        3.32082   0.00001  -0.00014  -0.00001  -0.00015   3.32067
   R30        5.35017  -0.00000  -0.00118  -0.00010  -0.00128   5.34889
   R31        2.67055   0.00001  -0.00003   0.00002  -0.00001   2.67054
   R32        2.65260  -0.00000   0.00001   0.00000   0.00002   2.65262
   R33        2.61781  -0.00002  -0.00006  -0.00001  -0.00007   2.61774
   R34        2.64933   0.00001   0.00002  -0.00000   0.00002   2.64935
   R35        2.62557  -0.00000  -0.00000   0.00000  -0.00000   2.62556
   R36        2.03792   0.00001   0.00001   0.00000   0.00001   2.03793
   R37        2.65806   0.00001   0.00000  -0.00000  -0.00000   2.65806
   R38        2.05125  -0.00000   0.00000  -0.00000   0.00000   2.05125
   R39        2.63434  -0.00000  -0.00002   0.00000  -0.00001   2.63432
   R40        2.80133   0.00000   0.00002  -0.00000   0.00002   2.80135
   R41        2.04948  -0.00000   0.00001  -0.00000   0.00000   2.04949
   R42        2.65588   0.00000  -0.00001   0.00000  -0.00001   2.65587
   R43        2.65571   0.00000  -0.00002   0.00000  -0.00001   2.65570
   R44        2.65549  -0.00001   0.00001  -0.00002  -0.00000   2.65548
   R45        2.65555  -0.00001  -0.00000  -0.00001  -0.00001   2.65554
   R46        2.65546  -0.00000   0.00000  -0.00001  -0.00001   2.65545
   R47        2.65557  -0.00000  -0.00001   0.00000  -0.00001   2.65556
   R48        2.62902   0.00001  -0.00000   0.00001   0.00001   2.62903
   R49        2.05131  -0.00000   0.00000  -0.00000  -0.00000   2.05131
   R50        2.64730  -0.00000  -0.00001  -0.00000  -0.00001   2.64729
   R51        2.05000  -0.00000   0.00000  -0.00000   0.00000   2.05001
   R52        2.64700   0.00000  -0.00002   0.00000  -0.00001   2.64699
   R53        2.67985   0.00000   0.00004  -0.00000   0.00003   2.67988
   R54        2.62932   0.00001   0.00001   0.00001   0.00001   2.62933
   R55        2.04999  -0.00000   0.00000  -0.00000   0.00000   2.04999
   R56        2.05148   0.00000   0.00000  -0.00000   0.00000   2.05148
   R57        2.62921   0.00000   0.00000   0.00000   0.00000   2.62921
   R58        2.05123   0.00000   0.00000  -0.00000   0.00000   2.05123
   R59        2.64697   0.00000   0.00001   0.00000   0.00001   2.64698
   R60        2.05001  -0.00000  -0.00000  -0.00000  -0.00000   2.05001
   R61        2.64698  -0.00000  -0.00000  -0.00000  -0.00000   2.64698
   R62        2.68018   0.00000  -0.00000  -0.00000  -0.00000   2.68018
   R63        2.62916   0.00000   0.00001   0.00000   0.00001   2.62917
   R64        2.05004  -0.00000  -0.00000  -0.00000  -0.00000   2.05003
   R65        2.05143  -0.00000   0.00000  -0.00000   0.00000   2.05143
   R66        2.62961   0.00000  -0.00000   0.00000   0.00000   2.62961
   R67        2.05153  -0.00000   0.00000   0.00000   0.00000   2.05154
   R68        2.64649  -0.00000   0.00000  -0.00000   0.00000   2.64649
   R69        2.05015  -0.00000   0.00000  -0.00000  -0.00000   2.05015
   R70        2.64674   0.00000  -0.00000   0.00000  -0.00000   2.64674
   R71        2.68132  -0.00000   0.00001  -0.00001   0.00000   2.68132
   R72        2.62929   0.00000   0.00001   0.00000   0.00001   2.62930
   R73        2.05013  -0.00000   0.00000  -0.00000  -0.00000   2.05013
   R74        2.05137   0.00000   0.00000  -0.00000   0.00000   2.05137
   R75        2.64743  -0.00001   0.00002  -0.00001   0.00001   2.64744
   R76        2.64742  -0.00000   0.00003  -0.00001   0.00001   2.64743
   R77        2.64759  -0.00001  -0.00001  -0.00001  -0.00002   2.64756
   R78        2.64768  -0.00001  -0.00002  -0.00001  -0.00003   2.64765
   R79        2.64689  -0.00000   0.00002  -0.00001   0.00000   2.64689
   R80        2.64653  -0.00000   0.00001  -0.00001   0.00000   2.64653
   R81        2.67969   0.00000   0.00000   0.00000   0.00001   2.67970
   R82        2.64105   0.00000  -0.00001   0.00001  -0.00000   2.64105
   R83        2.73644  -0.00000  -0.00000  -0.00000  -0.00000   2.73644
   R84        2.64485  -0.00000   0.00000  -0.00000   0.00000   2.64486
   R85        2.67964   0.00000   0.00001   0.00000   0.00001   2.67965
   R86        2.64488   0.00000   0.00000  -0.00000   0.00000   2.64488
   R87        2.64104   0.00000  -0.00001   0.00001  -0.00000   2.64103
   R88        2.67972   0.00000  -0.00000   0.00000   0.00000   2.67972
   R89        2.64110   0.00000  -0.00000   0.00001   0.00001   2.64110
   R90        2.73640  -0.00000  -0.00001  -0.00000  -0.00001   2.73639
   R91        2.64489  -0.00000  -0.00000  -0.00000  -0.00000   2.64489
   R92        2.67976   0.00000  -0.00000   0.00000  -0.00000   2.67976
   R93        2.64487  -0.00000  -0.00000  -0.00000  -0.00000   2.64487
   R94        2.64107   0.00000   0.00000   0.00000   0.00000   2.64108
   R95        2.67989   0.00000   0.00000   0.00000   0.00000   2.67989
   R96        2.64112   0.00000  -0.00000   0.00000   0.00000   2.64112
   R97        2.73635  -0.00000  -0.00001  -0.00000  -0.00001   2.73634
   R98        2.64499  -0.00000  -0.00000  -0.00000  -0.00000   2.64499
   R99        2.68003   0.00000  -0.00000   0.00000   0.00000   2.68003
   R100       2.64493  -0.00000  -0.00000  -0.00000  -0.00000   2.64492
   R101       2.64114   0.00000  -0.00000   0.00000   0.00000   2.64114
   R102       2.62967  -0.00000   0.00000  -0.00001  -0.00000   2.62967
   R103       2.05272   0.00000   0.00000   0.00000   0.00000   2.05272
   R104       2.65528   0.00000   0.00000   0.00001   0.00001   2.65528
   R105       2.05144  -0.00000   0.00000  -0.00000   0.00000   2.05144
   R106       2.63266  -0.00000   0.00000  -0.00000  -0.00000   2.63266
   R107       2.05227   0.00000   0.00000   0.00000   0.00000   2.05228
   R108       2.04889  -0.00000   0.00001  -0.00000   0.00000   2.04890
   R109       2.63267  -0.00000   0.00000  -0.00000  -0.00000   2.63267
   R110       2.04890  -0.00000   0.00000  -0.00000   0.00000   2.04891
   R111       2.65527   0.00000   0.00000   0.00001   0.00001   2.65528
   R112       2.05230   0.00000   0.00000   0.00000   0.00000   2.05230
   R113       2.62970  -0.00000   0.00001  -0.00001  -0.00000   2.62970
   R114       2.05147  -0.00000   0.00000  -0.00000   0.00000   2.05147
   R115       2.05272   0.00000   0.00000   0.00000   0.00000   2.05272
   R116       2.62969  -0.00000   0.00000  -0.00001  -0.00000   2.62969
   R117       2.05274   0.00000   0.00000   0.00000   0.00000   2.05275
   R118       2.65532   0.00000  -0.00000   0.00001   0.00000   2.65532
   R119       2.05148  -0.00000   0.00000  -0.00000  -0.00000   2.05148
   R120       2.63265  -0.00000   0.00000  -0.00000  -0.00000   2.63264
   R121       2.05230   0.00000   0.00000   0.00000   0.00000   2.05230
   R122       2.04890  -0.00000  -0.00000  -0.00000  -0.00000   2.04890
   R123       2.63263  -0.00000   0.00000  -0.00000  -0.00000   2.63263
   R124       2.04891  -0.00000   0.00000  -0.00000  -0.00000   2.04891
   R125       2.65534   0.00000  -0.00000   0.00000   0.00000   2.65534
   R126       2.05229   0.00000   0.00000   0.00000   0.00000   2.05229
   R127       2.62968  -0.00000   0.00000  -0.00001  -0.00000   2.62968
   R128       2.05147  -0.00000   0.00000  -0.00000  -0.00000   2.05147
   R129       2.05274   0.00000   0.00000   0.00000   0.00000   2.05274
   R130       2.62974  -0.00000   0.00000  -0.00001  -0.00000   2.62974
   R131       2.05276   0.00000   0.00000   0.00000   0.00000   2.05276
   R132       2.65542   0.00000  -0.00000   0.00000   0.00000   2.65543
   R133       2.05150  -0.00000   0.00000  -0.00000   0.00000   2.05150
   R134       2.63261  -0.00000   0.00000  -0.00000  -0.00000   2.63261
   R135       2.05237   0.00000   0.00000   0.00000   0.00000   2.05237
   R136       2.04898  -0.00000   0.00000  -0.00000   0.00000   2.04898
   R137       2.63255  -0.00000   0.00000  -0.00000  -0.00000   2.63255
   R138       2.04895  -0.00000   0.00000  -0.00000  -0.00000   2.04895
   R139       2.65550   0.00000  -0.00000   0.00001   0.00000   2.65551
   R140       2.05230   0.00000   0.00000   0.00000   0.00000   2.05230
   R141       2.62964  -0.00000   0.00000  -0.00001  -0.00000   2.62964
   R142       2.05149  -0.00000   0.00000  -0.00000   0.00000   2.05149
   R143       2.05276   0.00000   0.00000   0.00000   0.00000   2.05276
   R144       2.78533  -0.00000   0.00003  -0.00000   0.00002   2.78536
   R145       3.03094  -0.00001   0.00007  -0.00002   0.00006   3.03099
   R146       3.04445  -0.00000   0.00002  -0.00001   0.00001   3.04446
   R147       2.76385   0.00001   0.00015  -0.00004   0.00010   2.76395
   R148       2.75561   0.00000   0.00001   0.00000   0.00001   2.75562
   R149       2.86313  -0.00000  -0.00002   0.00000  -0.00002   2.86310
   R150       2.06517  -0.00002   0.00002  -0.00003  -0.00000   2.06516
   R151       2.06409   0.00001   0.00003  -0.00002   0.00001   2.06409
   R152       2.06842  -0.00000   0.00000  -0.00000   0.00000   2.06842
   R153       2.06679   0.00000  -0.00001   0.00000  -0.00000   2.06679
   R154       2.06658  -0.00000  -0.00000  -0.00000  -0.00000   2.06657
   R155       2.86353   0.00000  -0.00000   0.00001   0.00000   2.86353
   R156       2.06923   0.00000  -0.00000   0.00000  -0.00000   2.06923
   R157       2.06734  -0.00000   0.00000  -0.00000   0.00000   2.06734
   R158       2.06626  -0.00000   0.00000  -0.00000   0.00000   2.06626
   R159       2.06821  -0.00000   0.00000   0.00000   0.00000   2.06821
   R160       2.06606  -0.00000  -0.00000  -0.00000  -0.00000   2.06605
   R161       5.80880  -0.00004  -0.00177  -0.00072  -0.00249   5.80631
   R162       6.27376   0.00003   0.00089   0.00076   0.00165   6.27541
    A1        2.06404   0.00000   0.00003  -0.00000   0.00003   2.06407
    A2        2.10900  -0.00000  -0.00000  -0.00001  -0.00001   2.10899
    A3        2.11014   0.00000  -0.00003   0.00001  -0.00002   2.11012
    A4        2.12741   0.00000  -0.00002   0.00002   0.00000   2.12741
    A5        2.07072  -0.00001   0.00001  -0.00004  -0.00003   2.07069
    A6        2.08432   0.00000   0.00002   0.00001   0.00003   2.08435
    A7        2.07156  -0.00001  -0.00001  -0.00002  -0.00003   2.07153
    A8        2.14624   0.00000   0.00003  -0.00002   0.00001   2.14625
    A9        2.06232   0.00001  -0.00002   0.00003   0.00002   2.06234
   A10        2.09062   0.00000   0.00004  -0.00001   0.00003   2.09065
   A11        2.09575   0.00000  -0.00005   0.00003  -0.00002   2.09574
   A12        2.09632  -0.00000   0.00001  -0.00002  -0.00001   2.09631
   A13        2.10508   0.00000  -0.00002   0.00002   0.00000   2.10508
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   A253       1.89379   0.00000   0.00004   0.00003   0.00007   1.89386
   A254       1.91055  -0.00001   0.00001  -0.00004  -0.00003   1.91053
   A255       1.93747   0.00000  -0.00000   0.00002   0.00001   1.93749
   A256       1.93726   0.00000  -0.00003   0.00002  -0.00001   1.93726
   A257       1.89088   0.00000   0.00001  -0.00000   0.00001   1.89089
   A258       1.89048   0.00000   0.00001   0.00000   0.00001   1.89049
   A259       1.89599  -0.00000   0.00001  -0.00000   0.00000   1.89599
   A260       1.88123  -0.00000   0.00001  -0.00000   0.00001   1.88124
   A261       1.89100  -0.00000  -0.00005  -0.00002  -0.00007   1.89094
   A262       1.89398   0.00000   0.00003   0.00001   0.00003   1.89402
   A263       1.94734   0.00000   0.00001   0.00001   0.00002   1.94735
   A264       1.95130  -0.00000  -0.00001  -0.00000  -0.00002   1.95128
   A265       1.89735   0.00000   0.00001   0.00001   0.00002   1.89737
   A266       1.93715  -0.00000  -0.00001   0.00000  -0.00001   1.93714
   A267       1.91351  -0.00000  -0.00000   0.00000  -0.00000   1.91351
   A268       1.93458  -0.00000   0.00001  -0.00001   0.00001   1.93459
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   A270       1.89324   0.00000   0.00000   0.00000   0.00000   1.89325
   A271       1.89223   0.00000   0.00000   0.00000   0.00000   1.89223
   A272       1.89749   0.00003   0.00082   0.00037   0.00119   1.89868
   A273       1.65142  -0.00002  -0.00061  -0.00042  -0.00103   1.65040
   A274       1.72796   0.00001  -0.00023   0.00016  -0.00007   1.72789
   A275       1.81277   0.00001   0.00025   0.00007   0.00032   1.81310
   A276       1.23261   0.00000  -0.00031   0.00011  -0.00020   1.23241
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    D6        3.10439   0.00000   0.00009  -0.00001   0.00008   3.10446
    D7        3.11032   0.00000   0.00005   0.00004   0.00010   3.11042
    D8       -0.03749   0.00000   0.00010   0.00000   0.00010  -0.03739
    D9        2.49451  -0.00000  -0.00020  -0.00005  -0.00025   2.49426
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   D11       -0.64679  -0.00000  -0.00020  -0.00007  -0.00027  -0.64706
   D12        2.49415  -0.00000  -0.00021  -0.00008  -0.00029   2.49386
   D13        0.03380  -0.00000  -0.00004  -0.00001  -0.00005   0.03376
   D14       -3.02210   0.00000  -0.00017   0.00015  -0.00003  -3.02212
   D15       -3.06598  -0.00000  -0.00009  -0.00001  -0.00010  -3.06608
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   D17       -0.05906   0.00000   0.00007   0.00003   0.00010  -0.05896
   D18        3.04881   0.00000   0.00009   0.00019   0.00028   3.04909
   D19        3.00100  -0.00000   0.00019  -0.00011   0.00008   3.00108
   D20       -0.17432   0.00000   0.00022   0.00004   0.00026  -0.17406
   D21       -2.91335  -0.00001   0.00036  -0.00046  -0.00010  -2.91344
   D22        0.35770  -0.00001   0.00022  -0.00037  -0.00015   0.35754
   D23        0.31351  -0.00001   0.00023  -0.00030  -0.00008   0.31344
   D24       -2.69863  -0.00000   0.00009  -0.00022  -0.00013  -2.69876
   D25        0.04019  -0.00000  -0.00004  -0.00003  -0.00006   0.04013
   D26       -3.11509  -0.00000   0.00002  -0.00003  -0.00001  -3.11510
   D27       -3.06767  -0.00000  -0.00006  -0.00019  -0.00025  -3.06791
   D28        0.06025  -0.00000   0.00000  -0.00019  -0.00019   0.06005
   D29       -0.38830   0.00000  -0.00063   0.00011  -0.00052  -0.38882
   D30        2.82597   0.00000  -0.00047   0.00004  -0.00044   2.82554
   D31        2.71945   0.00001  -0.00060   0.00027  -0.00033   2.71912
   D32       -0.34946   0.00001  -0.00045   0.00020  -0.00025  -0.34971
   D33        0.00563   0.00000  -0.00002  -0.00000  -0.00002   0.00561
   D34       -3.12974   0.00000  -0.00007   0.00004  -0.00003  -3.12977
   D35       -3.12193   0.00000  -0.00008   0.00001  -0.00008  -3.12200
   D36        0.02589   0.00000  -0.00013   0.00004  -0.00008   0.02581
   D37        0.12897   0.00001  -0.00020   0.00039   0.00019   0.12916
   D38       -2.91732   0.00001  -0.00049   0.00036  -0.00013  -2.91745
   D39       -3.13981   0.00001  -0.00007   0.00031   0.00024  -3.13956
   D40        0.09709   0.00001  -0.00035   0.00028  -0.00008   0.09701
   D41        2.98680  -0.00001   0.00033  -0.00028   0.00005   2.98685
   D42       -0.07223  -0.00001   0.00028  -0.00030  -0.00001  -0.07224
   D43       -0.02672  -0.00000   0.00019  -0.00020  -0.00000  -0.02673
   D44       -3.08575  -0.00000   0.00015  -0.00021  -0.00007  -3.08582
   D45       -0.65783  -0.00000  -0.00011  -0.00023  -0.00034  -0.65817
   D46       -3.01190   0.00000   0.00082  -0.00018   0.00064  -3.01126
   D47        1.17940   0.00001   0.00035  -0.00010   0.00026   1.17966
   D48        2.38433  -0.00000   0.00018  -0.00019  -0.00001   2.38432
   D49        0.03025   0.00000   0.00111  -0.00014   0.00097   0.03122
   D50       -2.06163   0.00001   0.00064  -0.00006   0.00058  -2.06104
   D51       -0.09394  -0.00000   0.00027  -0.00016   0.00011  -0.09383
   D52        3.01987  -0.00000   0.00021  -0.00006   0.00014   3.02001
   D53       -3.13622  -0.00000  -0.00002  -0.00019  -0.00022  -3.13644
   D54       -0.02241  -0.00000  -0.00009  -0.00010  -0.00018  -0.02260
   D55        0.78071  -0.00000   0.00053  -0.00003   0.00050   0.78120
   D56       -2.43774  -0.00000   0.00036   0.00005   0.00041  -2.43733
   D57       -3.12961  -0.00000  -0.00038  -0.00009  -0.00047  -3.13008
   D58       -0.06487   0.00000  -0.00054  -0.00001  -0.00056  -0.06542
   D59       -1.16737  -0.00000   0.00008  -0.00006   0.00003  -1.16734
   D60        1.89737  -0.00000  -0.00008   0.00002  -0.00006   1.89731
   D61        2.37606   0.00000  -0.00091   0.00013  -0.00079   2.37528
   D62       -1.11627  -0.00001  -0.00086   0.00002  -0.00084  -1.11711
   D63        0.05572   0.00001   0.00006   0.00018   0.00024   0.05596
   D64        2.84657  -0.00000   0.00011   0.00008   0.00019   2.84676
   D65        2.40708   0.00000   0.00067  -0.00014   0.00053   2.40761
   D66        1.84499   0.00001   0.00075  -0.00013   0.00061   1.84560
   D67       -1.87848   0.00001   0.00063  -0.00011   0.00052  -1.87796
   D68       -2.44057   0.00001   0.00071  -0.00010   0.00060  -2.43997
   D69        3.10318  -0.00000   0.00032  -0.00006   0.00027   3.10345
   D70        0.04103  -0.00001   0.00050  -0.00013   0.00036   0.04140
   D71       -0.04895  -0.00000   0.00006  -0.00001   0.00005  -0.04890
   D72        3.13233  -0.00000   0.00003  -0.00002   0.00001   3.13233
   D73        3.01056  -0.00000   0.00010   0.00001   0.00011   3.01067
   D74       -0.09135  -0.00000   0.00007  -0.00000   0.00007  -0.09128
   D75        0.05381   0.00000  -0.00015   0.00013  -0.00001   0.05379
   D76       -3.10952   0.00000  -0.00017   0.00016  -0.00001  -3.10953
   D77       -3.12772   0.00000  -0.00011   0.00015   0.00003  -3.12769
   D78       -0.00786   0.00000  -0.00014   0.00017   0.00003  -0.00783
   D79        2.47891   0.00000   0.00014  -0.00004   0.00009   2.47900
   D80       -0.66395  -0.00000   0.00016  -0.00007   0.00009  -0.66386
   D81       -0.62147   0.00000   0.00010  -0.00006   0.00004  -0.62142
   D82        2.51885   0.00000   0.00013  -0.00008   0.00005   2.51890
   D83        0.01763  -0.00000  -0.00002  -0.00005  -0.00007   0.01756
   D84       -3.09677  -0.00000   0.00004  -0.00014  -0.00010  -3.09687
   D85       -3.10241  -0.00000   0.00000  -0.00007  -0.00007  -3.10248
   D86        0.06638  -0.00000   0.00007  -0.00017  -0.00010   0.06628
   D87       -0.02981  -0.00001   0.00041  -0.00020   0.00020  -0.02961
   D88       -3.12710  -0.00001   0.00035  -0.00021   0.00014  -3.12695
   D89       -2.81578   0.00000   0.00036  -0.00009   0.00027  -2.81551
   D90        0.37012   0.00000   0.00030  -0.00009   0.00021   0.37034
   D91       -0.92736  -0.00000   0.00080  -0.00018   0.00062  -0.92674
   D92        2.25854  -0.00000   0.00074  -0.00018   0.00056   2.25910
   D93        0.13756   0.00001  -0.00004   0.00015   0.00011   0.13767
   D94       -2.13233   0.00001   0.00002   0.00008   0.00010  -2.13222
   D95        2.32193   0.00001  -0.00001   0.00011   0.00010   2.32202
   D96        2.92811  -0.00000   0.00002   0.00004   0.00006   2.92818
   D97        0.65823  -0.00000   0.00008  -0.00003   0.00005   0.65828
   D98       -1.17070   0.00000   0.00005  -0.00000   0.00005  -1.17065
   D99        0.75723   0.00000  -0.00055   0.00012  -0.00043   0.75680
   D100      -1.51265  -0.00000  -0.00049   0.00005  -0.00044  -1.51309
   D101       2.94160   0.00000  -0.00052   0.00008  -0.00044   2.94116
   D102      -1.13495  -0.00001   0.00020  -0.00009   0.00011  -1.13484
   D103      -1.70567  -0.00000   0.00023  -0.00005   0.00018  -1.70549
   D104       1.03238  -0.00001   0.00040  -0.00011   0.00028   1.03266
   D105       0.46165  -0.00000   0.00043  -0.00007   0.00036   0.46201
   D106       0.00336   0.00000  -0.00051   0.00006  -0.00045   0.00291
   D107      -3.11732   0.00000  -0.00025   0.00002  -0.00023  -3.11755
   D108       3.10313   0.00000  -0.00045   0.00006  -0.00039   3.10274
   D109      -0.01754   0.00000  -0.00020   0.00002  -0.00018  -0.01772
   D110       3.11945  -0.00000   0.00025  -0.00003   0.00022   3.11966
   D111      -0.01960  -0.00000   0.00024  -0.00004   0.00020  -0.01939
   D112       0.02153  -0.00000   0.00019  -0.00004   0.00015   0.02169
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   D114      -0.00891   0.00000   0.00005   0.00011   0.00016  -0.00874
   D115       3.11249   0.00001  -0.00019   0.00015  -0.00004   3.11245
   D116       0.00120  -0.00000   0.00007  -0.00000   0.00007   0.00127
   D117       3.11425   0.00000   0.00003   0.00001   0.00005   3.11430
   D118      -3.12064  -0.00000   0.00031  -0.00004   0.00027  -3.12038
   D119      -0.00759   0.00000   0.00027  -0.00002   0.00025  -0.00735
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   D121       3.11124   0.00000   0.00000   0.00003   0.00003   3.11127
   D122       3.12969   0.00000  -0.00005   0.00004  -0.00000   3.12969
   D123      -0.03285   0.00000   0.00001   0.00003   0.00004  -0.03280
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   D126      -3.12759  -0.00000  -0.00014  -0.00000  -0.00014  -3.12773
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   D135       0.62128  -0.00000   0.00024  -0.00004   0.00020   0.62148
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   D423      -0.75020  -0.00001  -0.00001  -0.00026  -0.00027  -0.75047
   D424      -1.39561  -0.00001  -0.00059  -0.00009  -0.00068  -1.39628
   D425       2.81303  -0.00001  -0.00053  -0.00006  -0.00059   2.81244
   D426       0.64327  -0.00001  -0.00057  -0.00009  -0.00066   0.64261
   D427       1.04758  -0.00000  -0.00018  -0.00004  -0.00022   1.04736
   D428       3.13728  -0.00000  -0.00020  -0.00004  -0.00023   3.13705
   D429      -1.05754  -0.00000  -0.00019  -0.00004  -0.00023  -1.05777
   D430      -1.02651   0.00000  -0.00014  -0.00002  -0.00016  -1.02667
   D431       1.06319   0.00000  -0.00016  -0.00002  -0.00017   1.06302
   D432      -3.13163   0.00000  -0.00015  -0.00002  -0.00017  -3.13179
   D433       3.12765  -0.00000  -0.00015  -0.00003  -0.00019   3.12747
   D434      -1.06583  -0.00000  -0.00017  -0.00003  -0.00020  -1.06603
   D435       1.02254  -0.00000  -0.00016  -0.00003  -0.00019   1.02234
   D436      -1.36260  -0.00000  -0.00091   0.00020  -0.00070  -1.36330
   D437      -1.26039  -0.00000  -0.00056   0.00017  -0.00040  -1.26078
   D438       0.41414   0.00000  -0.00006   0.00009   0.00003   0.41417
   D439       1.08672   0.00001  -0.00067   0.00016  -0.00051   1.08622
   D440       0.90960   0.00000  -0.00040   0.00012  -0.00028   0.90932
   D441      -0.39257   0.00001   0.00019  -0.00001   0.00017  -0.39240
         Item               Value     Threshold  Converged?
 Maximum Force            0.000045     0.000450     YES
 RMS     Force            0.000005     0.000300     YES
 Maximum Displacement     0.008877     0.001800     NO 
 RMS     Displacement     0.001481     0.001200     NO 
 Predicted change in Energy=-1.429192D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.836094    2.897952    0.556533
      2          6           0       -2.067879    1.522451    0.685652
      3          6           0       -1.018777    0.596029    0.725333
      4          6           0        0.307459    1.072511    0.673667
      5          6           0        0.548666    2.442743    0.513171
      6          6           0       -0.504448    3.342652    0.451923
      7          6           0       -1.235579   -0.864567    0.712964
      8          6           0       -0.168954   -1.742103    1.031330
      9          6           0        1.120449   -1.155520    1.540001
     10          6           0        1.433736    0.137872    0.830463
     11          6           0       -2.437879   -1.403839    0.241881
     12          6           0       -2.617177   -2.778800    0.042924
     13          6           0       -1.518919   -3.618404    0.276246
     14          6           0       -0.318738   -3.104528    0.750718
     15          7           0        2.230150   -2.045960    1.696779
     16          6           0        3.524015   -1.637105    1.252827
     17          6           0        3.672122   -0.374776    0.635010
     18          7           0        2.608640    0.491797    0.442734
     19          6           0        4.663663   -2.450697    1.351080
     20          6           0        5.895167   -2.013187    0.879506
     21          6           0        6.061489   -0.753378    0.276434
     22          6           0        4.923755    0.043994    0.162165
     23          6           0       -2.964484    3.859881    0.531127
     24          6           0       -3.909807   -3.314106   -0.446604
     25          6           0        7.381960   -0.298383   -0.220431
     26          6           0       -3.958714   -4.385729   -1.354282
     27          6           0       -5.171509   -4.882523   -1.821002
     28          6           0       -6.378713   -4.329699   -1.374318
     29          6           0       -6.347103   -3.267614   -0.461624
     30          6           0       -5.129085   -2.764871   -0.014830
     31          6           0       -2.857172    5.117945    1.148363
     32          6           0       -3.915252    6.021335    1.137666
     33          6           0       -5.112682    5.696967    0.487308
     34          6           0       -5.232084    4.451182   -0.141804
     35          6           0       -4.175273    3.546835   -0.109932
     36          6           0        8.294015   -1.200547   -0.793891
     37          6           0        9.530648   -0.775241   -1.269505
     38          6           0        9.898955    0.572166   -1.168823
     39          6           0        9.004447    1.482903   -0.592559
     40          6           0        7.763682    1.051289   -0.134190
     41          7           0       -6.190589    6.618467    0.465015
     42          7           0       -7.617282   -4.839274   -1.840557
     43          7           0       11.162310    1.008965   -1.644637
     44          6           0       -8.023612   -6.179185   -1.791367
     45          6           0       -9.320691   -6.287882   -2.354032
     46          6           0       -9.714617   -4.955887   -2.763294
     47          6           0       -8.642899   -4.088986   -2.430635
     48          6           0       -7.503661    6.354522    0.875954
     49          6           0       -8.285469    7.524276    0.699021
     50          6           0       -7.407050    8.538843    0.155107
     51          6           0       -6.124893    7.947074    0.025500
     52          6           0       11.379182    2.041564   -2.565830
     53          6           0       12.773489    2.176546   -2.786724
     54          6           0       13.427906    1.183361   -1.960859
     55          6           0       12.405349    0.481817   -1.272715
     56          6           0      -10.856541   -4.435141   -3.382761
     57          6           0      -10.913143   -3.073969   -3.666385
     58          6           0       -9.835798   -2.231647   -3.343628
     59          6           0       -8.687949   -2.723787   -2.726305
     60          6           0       -7.360878   -7.289702   -1.261485
     61          6           0       -8.009051   -8.521372   -1.322509
     62          6           0       -9.287798   -8.649609   -1.890579
     63          6           0       -9.948930   -7.537590   -2.403229
     64          6           0       -7.596058    9.868816   -0.237759
     65          6           0       -6.519521   10.582504   -0.755624
     66          6           0       -5.259300    9.975978   -0.891197
     67          6           0       -5.043584    8.654245   -0.507381
     68          6           0       -8.046360    5.187806    1.421451
     69          6           0       -9.395269    5.201419    1.769396
     70          6           0      -10.188117    6.347013    1.586510
     71          6           0       -9.638579    7.510459    1.056549
     72          6           0       14.767266    0.842416   -1.739850
     73          6           0       15.068402   -0.176675   -0.841341
     74          6           0       14.043404   -0.851715   -0.157044
     75          6           0       12.702321   -0.532987   -0.358735
     76          6           0       10.450845    2.837547   -3.242550
     77          6           0       10.941146    3.789886   -4.133243
     78          6           0       12.320146    3.946967   -4.353160
     79          6           0       13.239077    3.141993   -3.686839
     80          8           0        0.758047   -3.506578    3.483942
     81         15           0        2.090950   -3.340281    2.877117
     82          8           0        3.312483   -3.133642    3.895820
     83          8           0        2.625848   -4.566400    1.979330
     84          6           0        3.149692   -2.356403    5.124093
     85          6           0        4.208193   -2.820757    6.103606
     86          6           0        2.624447   -5.901374    2.566036
     87          6           0        2.979180   -6.888138    1.472125
     88          1           0       -3.089192    1.175605    0.795582
     89          1           0        1.576424    2.781720    0.451261
     90          1           0       -0.300059    4.399883    0.316194
     91          1           0       -3.236031   -0.732022   -0.051500
     92          1           0       -1.606364   -4.686344    0.105382
     93          1           0        0.512681   -3.782664    0.875538
     94          1           0        4.602313   -3.432431    1.793160
     95          1           0        6.753744   -2.665715    1.003237
     96          1           0        4.957060    1.012921   -0.323946
     97          1           0       -3.033828   -4.809484   -1.732888
     98          1           0       -5.190213   -5.685930   -2.549708
     99          1           0       -7.279217   -2.855958   -0.089449
    100          1           0       -5.123614   -1.960827    0.714556
    101          1           0       -1.947250    5.376025    1.680969
    102          1           0       -3.827754    6.972929    1.651130
    103          1           0       -6.146217    4.207027   -0.672470
    104          1           0       -4.276557    2.598072   -0.627672
    105          1           0        8.016081   -2.243841   -0.907356
    106          1           0       10.207923   -1.479542   -1.740941
    107          1           0        9.295625    2.522639   -0.487072
    108          1           0        7.094580    1.767007    0.333191
    109          1           0      -11.685434   -5.087360   -3.642555
    110          1           0      -11.794052   -2.657863   -4.145266
    111          1           0       -9.894784   -1.173738   -3.581922
    112          1           0       -7.856987   -2.068469   -2.490479
    113          1           0       -6.378889   -7.197963   -0.811098
    114          1           0       -7.513575   -9.399133   -0.918148
    115          1           0       -9.764190   -9.624514   -1.924091
    116          1           0      -10.942139   -7.635817   -2.831990
    117          1           0       -8.572561   10.335206   -0.143434
    118          1           0       -6.653206   11.615205   -1.062504
    119          1           0       -4.433746   10.546330   -1.306675
    120          1           0       -4.070410    8.191010   -0.625282
    121          1           0       -7.439268    4.302961    1.576555
    122          1           0       -9.839846    4.306242    2.194202
    123          1           0      -11.236721    6.323426    1.866476
    124          1           0      -10.249610    8.399029    0.925946
    125          1           0       15.560922    1.370745   -2.260400
    126          1           0       16.103422   -0.451074   -0.662497
    127          1           0       14.299062   -1.637717    0.547499
    128          1           0       11.917984   -1.051852    0.180937
    129          1           0        9.384776    2.716104   -3.086450
    130          1           0       10.239215    4.421242   -4.670034
    131          1           0       12.668963    4.700289   -5.052703
    132          1           0       14.304361    3.257112   -3.865483
    133          1           0        3.265149   -1.300491    4.867165
    134          1           0        2.137327   -2.512303    5.503395
    135          1           0        4.131968   -2.237480    7.026668
    136          1           0        4.075684   -3.877518    6.352350
    137          1           0        5.211508   -2.682019    5.691251
    138          1           0        3.357398   -5.921130    3.379298
    139          1           0        1.632100   -6.096585    2.983112
    140          1           0        3.966674   -6.672365    1.055161
    141          1           0        2.991361   -7.902880    1.881965
    142          1           0        2.245595   -6.851483    0.662288
    143         17           0        0.733812   -0.355590    3.404236
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177642           0.0074050           0.0058234
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13524.1502943648 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.75D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000019   -0.000006   -0.000016 Ang=  -0.00 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -4306.68069034     A.U. after    7 cycles
            NFock=  7  Conv=0.57D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000013741    0.000011628   -0.000000587
      2        6           0.000005182   -0.000002801   -0.000008372
      3        6          -0.000005063   -0.000005020    0.000003547
      4        6           0.000022147    0.000003773    0.000013796
      5        6          -0.000001187   -0.000005970   -0.000010001
      6        6           0.000000179    0.000002137    0.000000154
      7        6          -0.000008287    0.000002008    0.000004108
      8        6          -0.000020927   -0.000031772   -0.000004136
      9        6           0.000001924    0.000025307    0.000016633
     10        6          -0.000010113    0.000024461   -0.000003294
     11        6          -0.000003481    0.000002814    0.000003208
     12        6           0.000017899    0.000003092    0.000004992
     13        6          -0.000011746   -0.000004748    0.000000630
     14        6           0.000007561    0.000015110   -0.000007791
     15        7           0.000031454   -0.000020242   -0.000030855
     16        6          -0.000001345   -0.000004936    0.000009185
     17        6           0.000011191    0.000004577   -0.000005409
     18        7          -0.000012621   -0.000005591   -0.000002204
     19        6          -0.000008432    0.000000648    0.000006188
     20        6           0.000002230   -0.000000233   -0.000003006
     21        6           0.000004875    0.000000356    0.000001389
     22        6          -0.000007280   -0.000000056    0.000002187
     23        6           0.000017791   -0.000007825    0.000000806
     24        6          -0.000009013   -0.000007861   -0.000005051
     25        6          -0.000003739   -0.000003731   -0.000000593
     26        6           0.000003034    0.000005264    0.000005770
     27        6          -0.000006232   -0.000002470   -0.000001243
     28        6           0.000000114   -0.000003146   -0.000003731
     29        6          -0.000002154   -0.000002055   -0.000001244
     30        6           0.000004438    0.000001895    0.000000747
     31        6          -0.000002440    0.000000849    0.000001979
     32        6          -0.000002654   -0.000001085    0.000001945
     33        6           0.000000654   -0.000000007    0.000000519
     34        6          -0.000000579    0.000002626   -0.000001620
     35        6          -0.000003161   -0.000000276   -0.000002615
     36        6          -0.000000966   -0.000000926    0.000003232
     37        6           0.000001456    0.000004731   -0.000002663
     38        6           0.000003285   -0.000000048   -0.000001747
     39        6           0.000001554    0.000000461    0.000002110
     40        6          -0.000000579    0.000000647   -0.000002051
     41        7          -0.000011470    0.000005046    0.000000166
     42        7          -0.000007381   -0.000005652    0.000000577
     43        7           0.000006685    0.000004550   -0.000001277
     44        6           0.000000972    0.000014166    0.000003830
     45        6           0.000002258   -0.000004494   -0.000005229
     46        6          -0.000006246    0.000000769    0.000003169
     47        6           0.000013529   -0.000002265    0.000001202
     48        6           0.000014542    0.000005675    0.000002065
     49        6          -0.000004043   -0.000001877   -0.000002063
     50        6          -0.000001679    0.000003803    0.000001225
     51        6           0.000003899   -0.000013908   -0.000002903
     52        6          -0.000000495   -0.000012953    0.000002273
     53        6          -0.000000227    0.000005311   -0.000000195
     54        6           0.000004917   -0.000002321   -0.000002336
     55        6          -0.000013599    0.000002414    0.000001498
     56        6           0.000000955    0.000002458   -0.000004109
     57        6          -0.000003709   -0.000004963    0.000000875
     58        6           0.000003191    0.000001357    0.000000498
     59        6          -0.000002735    0.000001423    0.000001122
     60        6           0.000001932   -0.000003004   -0.000001165
     61        6           0.000001898    0.000002438    0.000002156
     62        6          -0.000004017   -0.000001079   -0.000004440
     63        6          -0.000000057   -0.000001895    0.000004509
     64        6           0.000001233    0.000001104   -0.000002507
     65        6          -0.000005068    0.000000925    0.000002375
     66        6           0.000002585   -0.000002199   -0.000000942
     67        6           0.000000731    0.000002987    0.000001828
     68        6          -0.000001932   -0.000002141   -0.000000787
     69        6           0.000003616   -0.000000707    0.000000546
     70        6          -0.000004265    0.000003245   -0.000002832
     71        6          -0.000000235   -0.000001479    0.000003781
     72        6           0.000000284    0.000000448    0.000003853
     73        6           0.000002796    0.000002752   -0.000004062
     74        6          -0.000002755   -0.000000658    0.000001231
     75        6           0.000001829   -0.000001686   -0.000000168
     76        6          -0.000001471    0.000002911    0.000000291
     77        6          -0.000001955   -0.000002270    0.000000449
     78        6           0.000004845    0.000003029    0.000001582
     79        6          -0.000001549   -0.000000638   -0.000003426
     80        8           0.000005229   -0.000001224    0.000003295
     81       15          -0.000012248    0.000001974    0.000002610
     82        8          -0.000019455   -0.000002515    0.000015508
     83        8           0.000022084    0.000014714    0.000006786
     84        6           0.000027983    0.000036559   -0.000024641
     85        6           0.000001595    0.000001460   -0.000000180
     86        6          -0.000009912   -0.000004578   -0.000002076
     87        6          -0.000001286   -0.000001883   -0.000001764
     88        1          -0.000000513    0.000002533    0.000003238
     89        1          -0.000000234   -0.000000316    0.000003728
     90        1          -0.000000390   -0.000001147   -0.000001740
     91        1          -0.000001305   -0.000003861    0.000002698
     92        1           0.000000699    0.000002004   -0.000005120
     93        1           0.000001082    0.000001888    0.000002490
     94        1          -0.000000798   -0.000002845    0.000004640
     95        1          -0.000000250    0.000000347    0.000000116
     96        1           0.000001109   -0.000000172    0.000000315
     97        1          -0.000000489   -0.000000106   -0.000001815
     98        1           0.000002040    0.000001561    0.000001390
     99        1           0.000002077    0.000001317    0.000000812
    100        1          -0.000000951   -0.000000492    0.000000447
    101        1           0.000000010   -0.000000382   -0.000000787
    102        1           0.000001836   -0.000001050   -0.000001065
    103        1           0.000001751   -0.000000387    0.000000363
    104        1           0.000000384    0.000000381   -0.000000206
    105        1           0.000000620    0.000000360   -0.000001352
    106        1          -0.000001857   -0.000001134    0.000000876
    107        1          -0.000001845   -0.000001715    0.000000033
    108        1           0.000000645    0.000000772    0.000000613
    109        1           0.000000262   -0.000000941    0.000001629
    110        1           0.000001253    0.000000870   -0.000001247
    111        1          -0.000000267   -0.000000070    0.000000728
    112        1          -0.000001597    0.000000046   -0.000000873
    113        1          -0.000000955   -0.000001911    0.000000134
    114        1           0.000000447   -0.000000028   -0.000000470
    115        1           0.000000336   -0.000000025    0.000002009
    116        1           0.000000177    0.000000992   -0.000000984
    117        1          -0.000000299   -0.000000944    0.000000789
    118        1           0.000000757   -0.000000323   -0.000001488
    119        1           0.000000117    0.000000077    0.000000640
    120        1          -0.000001284    0.000001189   -0.000001393
    121        1          -0.000001856   -0.000000528    0.000000657
    122        1           0.000000112   -0.000000307   -0.000000578
    123        1           0.000000721   -0.000000497    0.000001646
    124        1           0.000000430    0.000000571   -0.000001670
    125        1          -0.000000722   -0.000000040   -0.000001464
    126        1          -0.000000659    0.000000116    0.000001501
    127        1          -0.000000060   -0.000000258   -0.000000513
    128        1           0.000001754    0.000000643    0.000000574
    129        1           0.000000523    0.000001110   -0.000001641
    130        1          -0.000000196    0.000000260    0.000000455
    131        1          -0.000000948   -0.000001148   -0.000001265
    132        1           0.000000212   -0.000000149    0.000001474
    133        1          -0.000052335   -0.000027085   -0.000022143
    134        1           0.000015795   -0.000038626    0.000037819
    135        1          -0.000001842    0.000000260   -0.000001187
    136        1           0.000001125   -0.000000040    0.000000526
    137        1          -0.000000193   -0.000000340    0.000000164
    138        1           0.000003042    0.000000861   -0.000002767
    139        1           0.000001371    0.000001026    0.000002870
    140        1          -0.000000499    0.000000202    0.000000341
    141        1           0.000000020   -0.000000012    0.000000204
    142        1          -0.000000277    0.000000234    0.000000590
    143       17           0.000018885    0.000020546   -0.000011848
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000052335 RMS     0.000007526

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000036286 RMS     0.000003625
 Search for a local minimum.
 Step number  31 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   20   21   22   23   24
                                                     25   26   27   28   29
                                                     30   31
 DE= -4.11D-07 DEPred=-1.43D-07 R= 2.87D+00
 Trust test= 2.87D+00 RLast= 7.82D-03 DXMaxT set to 6.22D-01
 ITU=  0  0  1  0  1 -1  1  1  1  1  1  1 -1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00135   0.00292   0.00418   0.00420   0.00481
     Eigenvalues ---    0.00683   0.00776   0.01194   0.01631   0.02037
     Eigenvalues ---    0.02101   0.02405   0.02577   0.02598   0.02627
     Eigenvalues ---    0.02656   0.02694   0.02706   0.02708   0.02714
     Eigenvalues ---    0.02724   0.02726   0.02727   0.02729   0.02736
     Eigenvalues ---    0.02740   0.02752   0.02765   0.02771   0.02774
     Eigenvalues ---    0.02774   0.02776   0.02778   0.02783   0.02785
     Eigenvalues ---    0.02786   0.02788   0.02789   0.02791   0.02791
     Eigenvalues ---    0.02792   0.02792   0.02793   0.02794   0.02795
     Eigenvalues ---    0.02799   0.02801   0.02802   0.02803   0.02804
     Eigenvalues ---    0.02805   0.02807   0.02807   0.02808   0.02808
     Eigenvalues ---    0.02809   0.02811   0.02812   0.02814   0.02817
     Eigenvalues ---    0.02817   0.02818   0.02818   0.02818   0.02819
     Eigenvalues ---    0.02819   0.02825   0.02830   0.02840   0.02843
     Eigenvalues ---    0.02844   0.02845   0.02845   0.02846   0.02847
     Eigenvalues ---    0.02849   0.02851   0.02858   0.02867   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02869   0.02872   0.02873
     Eigenvalues ---    0.02876   0.02877   0.02877   0.02878   0.02878
     Eigenvalues ---    0.02879   0.02882   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02886   0.02887
     Eigenvalues ---    0.02887   0.02892   0.02893   0.02896   0.02897
     Eigenvalues ---    0.02898   0.02899   0.02899   0.02899   0.02901
     Eigenvalues ---    0.02906   0.02907   0.02910   0.02930   0.02942
     Eigenvalues ---    0.02950   0.02995   0.03023   0.03025   0.03026
     Eigenvalues ---    0.03031   0.03127   0.03133   0.03134   0.03142
     Eigenvalues ---    0.03149   0.03153   0.03223   0.03296   0.03439
     Eigenvalues ---    0.03983   0.04158   0.04683   0.05376   0.05561
     Eigenvalues ---    0.05579   0.05615   0.05726   0.05744   0.05788
     Eigenvalues ---    0.07609   0.08661   0.09331   0.10497   0.11031
     Eigenvalues ---    0.11430   0.11654   0.12605   0.13656   0.15182
     Eigenvalues ---    0.15601   0.15800   0.15866   0.15923   0.15951
     Eigenvalues ---    0.15972   0.15985   0.15986   0.15986   0.15987
     Eigenvalues ---    0.15988   0.15992   0.15996   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16002   0.16002   0.16004
     Eigenvalues ---    0.16005   0.16011   0.16031   0.16076   0.16103
     Eigenvalues ---    0.16198   0.16715   0.17282   0.18738   0.19813
     Eigenvalues ---    0.20888   0.21978   0.21998   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22000   0.22002   0.22002
     Eigenvalues ---    0.22004   0.22364   0.22418   0.22508   0.22600
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22603   0.22695
     Eigenvalues ---    0.22947   0.22966   0.22993   0.23141   0.23244
     Eigenvalues ---    0.23428   0.23510   0.23675   0.23969   0.23999
     Eigenvalues ---    0.24186   0.24466   0.24486   0.24489   0.24490
     Eigenvalues ---    0.24525   0.24534   0.24766   0.24870   0.24981
     Eigenvalues ---    0.24982   0.24985   0.24985   0.24986   0.24987
     Eigenvalues ---    0.24990   0.24996   0.24996   0.25000   0.25000
     Eigenvalues ---    0.25002   0.25003   0.25007   0.25016   0.25026
     Eigenvalues ---    0.25054   0.25107   0.25429   0.26246   0.27961
     Eigenvalues ---    0.28178   0.29066   0.29785   0.29789   0.30299
     Eigenvalues ---    0.32016   0.32098   0.32128   0.32142   0.32148
     Eigenvalues ---    0.32166   0.32180   0.32220   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33296   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33457   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33633   0.33639
     Eigenvalues ---    0.33640   0.33643   0.33647   0.33664   0.33702
     Eigenvalues ---    0.33722   0.33742   0.33820   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33921   0.33941
     Eigenvalues ---    0.33947   0.33955   0.33960   0.34442   0.34460
     Eigenvalues ---    0.34834   0.34919   0.35046   0.38526   0.40582
     Eigenvalues ---    0.41629   0.42961   0.44429   0.44431   0.44439
     Eigenvalues ---    0.44451   0.45468   0.46502   0.48727   0.48938
     Eigenvalues ---    0.48975   0.49023   0.49244   0.49389   0.49796
     Eigenvalues ---    0.49809   0.49814   0.49844   0.49852   0.49925
     Eigenvalues ---    0.50013   0.50184   0.50397   0.50406   0.50456
     Eigenvalues ---    0.50611   0.50614   0.50616   0.51082   0.51579
     Eigenvalues ---    0.51989   0.52415   0.52560   0.52792   0.53345
     Eigenvalues ---    0.54063   0.54112   0.54199   0.54201   0.54206
     Eigenvalues ---    0.54256   0.54411   0.54923   0.55121   0.55298
     Eigenvalues ---    0.55324   0.55348   0.55360   0.55377   0.55412
     Eigenvalues ---    0.55426   0.55442   0.55508   0.55591   0.55679
     Eigenvalues ---    0.55705   0.55711   0.55763   0.55939   0.55947
     Eigenvalues ---    0.56016   0.56147   0.56152   0.56153   0.56226
     Eigenvalues ---    0.56269   0.56307   0.56369   0.56659   0.56662
     Eigenvalues ---    0.56664   0.56670   0.56673   0.56682   0.56841
     Eigenvalues ---    0.56901   0.56914   0.57010   0.57138   0.57174
     Eigenvalues ---    0.57179   0.57191   0.57195   0.57210   0.57613
     Eigenvalues ---    0.61548   0.61873   0.65962   0.66054   0.67647
     Eigenvalues ---    0.67657   0.67661   0.68823   0.69915   0.70074
     Eigenvalues ---    0.72093   0.74998   0.80057
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    31   30   29   28   27   26   25   24   23   22
 RFO step:  Lambda=-8.13157069D-07.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 RFO-DIIS uses    4 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    2.73719   -2.00000    0.01945    0.24336    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00299352 RMS(Int)=  0.00000253
 Iteration  2 RMS(Cart)=  0.00000419 RMS(Int)=  0.00000034
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000034
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64724   0.00000  -0.00005   0.00000  -0.00005   2.64718
    R2        2.66041  -0.00000   0.00002  -0.00000   0.00002   2.66043
    R3        2.80242  -0.00001   0.00003  -0.00001   0.00002   2.80244
    R4        2.64592   0.00000   0.00006   0.00001   0.00008   2.64600
    R5        2.04882  -0.00000  -0.00000  -0.00000  -0.00001   2.04881
    R6        2.66485   0.00001   0.00002   0.00001   0.00003   2.66488
    R7        2.79046   0.00001   0.00001   0.00003   0.00003   2.79050
    R8        2.64661  -0.00000   0.00003   0.00001   0.00003   2.64665
    R9        2.78158  -0.00001  -0.00002  -0.00003  -0.00005   2.78153
   R10        2.62028   0.00000  -0.00003  -0.00001  -0.00004   2.62024
   R11        2.04844  -0.00000  -0.00000  -0.00000  -0.00000   2.04843
   R12        2.05097  -0.00000   0.00000  -0.00000  -0.00000   2.05097
   R13        2.67856   0.00000   0.00000  -0.00002  -0.00001   2.67855
   R14        2.64444   0.00000   0.00005   0.00002   0.00007   2.64451
   R15        2.84426   0.00002   0.00007   0.00013   0.00020   2.84446
   R16        2.64385  -0.00001   0.00001  -0.00003  -0.00002   2.64382
   R17        2.84995   0.00001   0.00019   0.00015   0.00034   2.85029
   R18        2.70495   0.00002   0.00035   0.00026   0.00061   2.70556
   R19        3.90252  -0.00001  -0.00016  -0.00148  -0.00164   3.90089
   R20        2.43180  -0.00000  -0.00001  -0.00004  -0.00006   2.43175
   R21        2.64713   0.00000  -0.00006   0.00000  -0.00006   2.64708
   R22        2.04794  -0.00000  -0.00001  -0.00000  -0.00001   2.04793
   R23        2.64936  -0.00001   0.00002  -0.00000   0.00001   2.64937
   R24        2.80106   0.00001   0.00006   0.00003   0.00009   2.80115
   R25        2.62504   0.00001  -0.00004   0.00001  -0.00003   2.62501
   R26        2.05045  -0.00000  -0.00000  -0.00000  -0.00000   2.05045
   R27        2.04117   0.00000  -0.00001   0.00000  -0.00001   2.04116
   R28        2.69797  -0.00001  -0.00013  -0.00001  -0.00014   2.69783
   R29        3.32067   0.00000   0.00006  -0.00005   0.00001   3.32068
   R30        5.34889   0.00000   0.00002  -0.00045  -0.00042   5.34847
   R31        2.67054   0.00000   0.00004  -0.00001   0.00003   2.67058
   R32        2.65262  -0.00001   0.00003  -0.00000   0.00003   2.65264
   R33        2.61774   0.00001  -0.00016   0.00001  -0.00016   2.61759
   R34        2.64935  -0.00000   0.00006  -0.00001   0.00005   2.64940
   R35        2.62556   0.00000  -0.00003   0.00001  -0.00002   2.62554
   R36        2.03793   0.00000   0.00002   0.00001   0.00002   2.03795
   R37        2.65806   0.00000   0.00003   0.00000   0.00003   2.65808
   R38        2.05125  -0.00000   0.00000   0.00000   0.00000   2.05125
   R39        2.63432   0.00001  -0.00004   0.00001  -0.00003   2.63429
   R40        2.80135  -0.00000   0.00003   0.00001   0.00004   2.80139
   R41        2.04949  -0.00000   0.00000   0.00000   0.00000   2.04949
   R42        2.65587   0.00000  -0.00001   0.00000  -0.00001   2.65586
   R43        2.65570   0.00000  -0.00001   0.00000  -0.00001   2.65569
   R44        2.65548  -0.00000  -0.00001   0.00000  -0.00001   2.65547
   R45        2.65554  -0.00000  -0.00002   0.00000  -0.00002   2.65552
   R46        2.65545   0.00000  -0.00001   0.00000  -0.00001   2.65544
   R47        2.65556   0.00000  -0.00001   0.00000  -0.00001   2.65555
   R48        2.62903   0.00000   0.00001   0.00001   0.00002   2.62906
   R49        2.05131   0.00000  -0.00000   0.00000  -0.00000   2.05131
   R50        2.64729  -0.00000  -0.00001  -0.00001  -0.00002   2.64727
   R51        2.05001  -0.00000   0.00000  -0.00000   0.00000   2.05001
   R52        2.64699   0.00000  -0.00001  -0.00001  -0.00002   2.64696
   R53        2.67988  -0.00000   0.00003   0.00003   0.00005   2.67994
   R54        2.62933   0.00000   0.00002   0.00001   0.00002   2.62935
   R55        2.04999  -0.00000   0.00000  -0.00000   0.00000   2.04999
   R56        2.05148   0.00000  -0.00000   0.00000   0.00000   2.05148
   R57        2.62921   0.00000   0.00000   0.00000   0.00000   2.62921
   R58        2.05123  -0.00000   0.00000  -0.00000   0.00000   2.05123
   R59        2.64698   0.00000   0.00001   0.00000   0.00001   2.64699
   R60        2.05001  -0.00000  -0.00000  -0.00001  -0.00001   2.05000
   R61        2.64698  -0.00000  -0.00000   0.00000  -0.00000   2.64698
   R62        2.68018   0.00000  -0.00000  -0.00001  -0.00001   2.68017
   R63        2.62917   0.00000   0.00001   0.00000   0.00001   2.62918
   R64        2.05003  -0.00000  -0.00000  -0.00000  -0.00001   2.05003
   R65        2.05143  -0.00000   0.00000   0.00000   0.00000   2.05144
   R66        2.62961   0.00000   0.00001   0.00001   0.00001   2.62962
   R67        2.05154  -0.00000   0.00000   0.00000   0.00000   2.05154
   R68        2.64649  -0.00000   0.00000  -0.00000   0.00000   2.64649
   R69        2.05015  -0.00000  -0.00000  -0.00000  -0.00000   2.05015
   R70        2.64674   0.00000  -0.00000   0.00000  -0.00000   2.64674
   R71        2.68132  -0.00000  -0.00001  -0.00000  -0.00001   2.68131
   R72        2.62930   0.00000   0.00001  -0.00000   0.00001   2.62931
   R73        2.05013  -0.00000  -0.00000  -0.00000  -0.00001   2.05012
   R74        2.05137   0.00000   0.00000   0.00000   0.00000   2.05138
   R75        2.64744  -0.00001  -0.00000  -0.00000  -0.00000   2.64743
   R76        2.64743  -0.00001   0.00001   0.00000   0.00001   2.64744
   R77        2.64756  -0.00001  -0.00003  -0.00003  -0.00006   2.64750
   R78        2.64765  -0.00000  -0.00003  -0.00003  -0.00006   2.64759
   R79        2.64689  -0.00000   0.00000  -0.00000   0.00000   2.64689
   R80        2.64653  -0.00001   0.00000  -0.00001  -0.00001   2.64653
   R81        2.67970   0.00000   0.00001   0.00001   0.00002   2.67971
   R82        2.64105   0.00000   0.00000  -0.00000   0.00000   2.64105
   R83        2.73644   0.00000  -0.00000   0.00000  -0.00000   2.73644
   R84        2.64486  -0.00000   0.00000   0.00000   0.00001   2.64486
   R85        2.67965   0.00000   0.00001   0.00001   0.00002   2.67968
   R86        2.64488   0.00000   0.00000   0.00000   0.00001   2.64488
   R87        2.64103   0.00000   0.00000  -0.00000  -0.00000   2.64103
   R88        2.67972   0.00000   0.00001  -0.00000   0.00000   2.67972
   R89        2.64110   0.00000   0.00001   0.00000   0.00001   2.64111
   R90        2.73639  -0.00000  -0.00002  -0.00000  -0.00002   2.73637
   R91        2.64489   0.00000  -0.00000   0.00000  -0.00000   2.64489
   R92        2.67976   0.00000   0.00000  -0.00000   0.00000   2.67976
   R93        2.64487  -0.00000  -0.00000   0.00000   0.00000   2.64487
   R94        2.64108   0.00000   0.00001   0.00000   0.00001   2.64109
   R95        2.67989   0.00000   0.00000   0.00000   0.00000   2.67989
   R96        2.64112   0.00000   0.00001   0.00000   0.00001   2.64113
   R97        2.73634  -0.00000  -0.00001   0.00000  -0.00001   2.73633
   R98        2.64499  -0.00000  -0.00000   0.00000  -0.00000   2.64499
   R99        2.68003   0.00000   0.00000   0.00000   0.00000   2.68004
   R100       2.64492  -0.00000  -0.00000   0.00000  -0.00000   2.64492
   R101       2.64114   0.00000   0.00000   0.00000   0.00001   2.64115
   R102       2.62967  -0.00000  -0.00001  -0.00000  -0.00001   2.62966
   R103       2.05272   0.00000   0.00000  -0.00000   0.00000   2.05272
   R104       2.65528   0.00000   0.00001   0.00001   0.00002   2.65530
   R105       2.05144  -0.00000   0.00000  -0.00000  -0.00000   2.05144
   R106       2.63266  -0.00000  -0.00001  -0.00000  -0.00001   2.63265
   R107       2.05228   0.00000   0.00000  -0.00000   0.00000   2.05228
   R108       2.04890  -0.00000   0.00000   0.00000   0.00001   2.04890
   R109       2.63267  -0.00000  -0.00000  -0.00000  -0.00001   2.63266
   R110       2.04891  -0.00000   0.00000   0.00000   0.00000   2.04891
   R111       2.65528   0.00000   0.00001   0.00001   0.00002   2.65530
   R112       2.05230   0.00000   0.00000  -0.00000   0.00000   2.05231
   R113       2.62970  -0.00000  -0.00001  -0.00000  -0.00001   2.62969
   R114       2.05147  -0.00000   0.00000  -0.00000  -0.00000   2.05147
   R115       2.05272   0.00000   0.00000  -0.00000   0.00000   2.05273
   R116       2.62969  -0.00000  -0.00001  -0.00000  -0.00001   2.62968
   R117       2.05275   0.00000   0.00000  -0.00000   0.00000   2.05275
   R118       2.65532   0.00000   0.00001   0.00000   0.00001   2.65533
   R119       2.05148  -0.00000  -0.00000  -0.00000  -0.00000   2.05148
   R120       2.63264  -0.00000  -0.00000   0.00000  -0.00000   2.63264
   R121       2.05230  -0.00000   0.00000  -0.00000   0.00000   2.05230
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   A206       2.11110  -0.00000  -0.00004  -0.00000  -0.00004   2.11106
   A207       2.11975   0.00000   0.00001   0.00000   0.00002   2.11977
   A208       2.07831  -0.00000  -0.00002  -0.00000  -0.00002   2.07829
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   A210       2.10410  -0.00000  -0.00002  -0.00000  -0.00002   2.10407
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   A212       2.09189   0.00000   0.00002   0.00001   0.00003   2.09192
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   A220       2.09183   0.00000   0.00002   0.00000   0.00003   2.09186
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   A227       2.11159  -0.00000  -0.00003   0.00000  -0.00003   2.11156
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   A230       2.11142  -0.00000  -0.00003   0.00000  -0.00003   2.11139
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   A239       2.10314   0.00000   0.00002   0.00000   0.00002   2.10316
   A240       2.01671   0.00001  -0.00005  -0.00000  -0.00006   2.01665
   A241       1.84564  -0.00000   0.00005   0.00000   0.00006   1.84569
   A242       1.73144  -0.00001   0.00001   0.00009   0.00010   1.73154
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   A247       2.06259  -0.00000  -0.00001   0.00001   0.00001   2.06260
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   A249       1.87995  -0.00001  -0.00003   0.00009   0.00006   1.88001
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   A251       1.95445   0.00001   0.00006   0.00000   0.00007   1.95452
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   A255       1.93749   0.00000   0.00005  -0.00002   0.00003   1.93751
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   A257       1.89089   0.00000  -0.00000   0.00001   0.00001   1.89090
   A258       1.89049   0.00000   0.00001   0.00001   0.00002   1.89050
   A259       1.89599  -0.00000   0.00001   0.00000   0.00001   1.89600
   A260       1.88124   0.00000   0.00001   0.00003   0.00004   1.88128
   A261       1.89094  -0.00000  -0.00009  -0.00007  -0.00016   1.89078
   A262       1.89402   0.00000   0.00005   0.00005   0.00010   1.89411
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   A271       1.89223   0.00000   0.00000   0.00000   0.00001   1.89224
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   A273       1.65040  -0.00002  -0.00131  -0.00142  -0.00273   1.64767
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   D17       -0.05896  -0.00000   0.00013   0.00002   0.00015  -0.05881
   D18        3.04909   0.00000   0.00043   0.00017   0.00060   3.04969
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   D22        0.35754  -0.00001  -0.00070  -0.00019  -0.00089   0.35665
   D23        0.31344  -0.00001  -0.00053  -0.00012  -0.00065   0.31278
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   D31        2.71912   0.00001   0.00032  -0.00001   0.00031   2.71943
   D32       -0.34971   0.00001   0.00027   0.00007   0.00034  -0.34937
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   D37        0.12916   0.00001   0.00036   0.00018   0.00053   0.12970
   D38       -2.91745   0.00001   0.00005   0.00000   0.00005  -2.91740
   D39       -3.13956   0.00000   0.00043   0.00020   0.00064  -3.13893
   D40        0.09701   0.00001   0.00012   0.00003   0.00015   0.09716
   D41        2.98685  -0.00001  -0.00009  -0.00002  -0.00011   2.98674
   D42       -0.07224  -0.00001  -0.00019  -0.00001  -0.00021  -0.07245
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   D48        2.38432  -0.00000   0.00034  -0.00001   0.00033   2.38465
   D49        0.03122  -0.00001   0.00046   0.00045   0.00091   0.03213
   D50       -2.06104  -0.00000   0.00046   0.00011   0.00057  -2.06047
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   D57       -3.13008   0.00000  -0.00032  -0.00030  -0.00062  -3.13070
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   D65        2.40761  -0.00000   0.00027   0.00041   0.00068   2.40829
   D66        1.84560   0.00000   0.00021   0.00051   0.00073   1.84633
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   D131       0.03569  -0.00000   0.00003   0.00005   0.00009   0.03578
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   D370       3.13036   0.00000  -0.00002   0.00000  -0.00002   3.13035
   D371      -0.00575   0.00000  -0.00001   0.00001  -0.00000  -0.00575
   D372       0.00685   0.00000  -0.00000   0.00000  -0.00000   0.00685
   D373      -3.12953  -0.00000   0.00000  -0.00001  -0.00000  -3.12953
   D374      -3.14024  -0.00000  -0.00001  -0.00000  -0.00002  -3.14026
   D375       0.00657  -0.00000  -0.00001  -0.00001  -0.00002   0.00655
   D376      -0.00641  -0.00000   0.00000   0.00000   0.00000  -0.00640
   D377       3.14018   0.00000   0.00000   0.00000   0.00001   3.14019
   D378       3.13019   0.00000  -0.00002   0.00001  -0.00001   3.13019
   D379      -0.00640   0.00000  -0.00001   0.00001  -0.00000  -0.00640
   D380       0.00713   0.00000   0.00003  -0.00000   0.00003   0.00716
   D381      -3.13121  -0.00000   0.00002  -0.00001   0.00001  -3.13120
   D382      -3.13945  -0.00000   0.00003  -0.00000   0.00002  -3.13942
   D383       0.00540  -0.00000   0.00002  -0.00001   0.00001   0.00541
   D384       0.00448  -0.00000  -0.00000  -0.00000  -0.00001   0.00448
   D385      -3.13054   0.00000   0.00003  -0.00000   0.00003  -3.13051
   D386      -3.14034  -0.00000   0.00001   0.00000   0.00001  -3.14034
   D387       0.00782   0.00000   0.00004   0.00000   0.00004   0.00786
   D388       0.00450  -0.00000  -0.00000  -0.00001  -0.00001   0.00449
   D389      -3.14026  -0.00000   0.00000  -0.00000   0.00000  -3.14026
   D390      -3.13051   0.00000   0.00002  -0.00000   0.00001  -3.13049
   D391       0.00792   0.00000   0.00002   0.00001   0.00003   0.00795
   D392       0.00714  -0.00000   0.00003   0.00000   0.00003   0.00717
   D393      -3.13938  -0.00000   0.00002  -0.00000   0.00002  -3.13936
   D394      -3.13127  -0.00000   0.00002  -0.00000   0.00002  -3.13125
   D395       0.00539  -0.00000   0.00001  -0.00001   0.00000   0.00539
   D396      -0.00642  -0.00000   0.00000   0.00000   0.00000  -0.00641
   D397       3.13019   0.00000   0.00001   0.00001   0.00001   3.13020
   D398       3.14012   0.00000   0.00001   0.00001   0.00002   3.14014
   D399      -0.00646   0.00000   0.00001   0.00001   0.00003  -0.00643
   D400       1.62077   0.00001  -0.00066  -0.00076  -0.00142   1.61935
   D401      -0.64235   0.00000  -0.00070  -0.00075  -0.00146  -0.64380
   D402      -2.86273  -0.00000  -0.00065  -0.00067  -0.00132  -2.86405
   D403      -3.09332  -0.00000   0.00035   0.00018   0.00054  -3.09278
   D404      -0.91869   0.00001   0.00025   0.00022   0.00048  -0.91821
   D405       1.30022   0.00001   0.00030   0.00017   0.00046   1.30068
   D406       2.72736   0.00001   0.00204   0.00221   0.00425   2.73161
   D407      -1.44574   0.00001   0.00206   0.00226   0.00432  -1.44142
   D408       0.60205   0.00001   0.00207   0.00223   0.00430   0.60635
   D409       3.00357  -0.00001  -0.00276  -0.00223  -0.00499   2.99858
   D410      -1.16989  -0.00001  -0.00277  -0.00226  -0.00503  -1.17493
   D411       0.88735  -0.00001  -0.00276  -0.00225  -0.00501   0.88234
   D412       3.11397  -0.00000   0.00014   0.00016   0.00030   3.11428
   D413      -1.08261  -0.00000   0.00012   0.00018   0.00030  -1.08231
   D414       1.02801  -0.00000   0.00017   0.00015   0.00032   1.02833
   D415       1.05136   0.00000   0.00018   0.00006   0.00024   1.05160
   D416       3.13796   0.00000   0.00016   0.00008   0.00024   3.13820
   D417      -1.03460   0.00000   0.00021   0.00004   0.00026  -1.03434
   D418      -1.08449   0.00000  -0.00001   0.00014   0.00012  -1.08437
   D419       1.00211  -0.00000  -0.00003   0.00015   0.00012   1.00223
   D420       3.11273   0.00000   0.00002   0.00012   0.00014   3.11287
   D421       1.29832  -0.00001  -0.00024  -0.00056  -0.00080   1.29751
   D422      -2.92348  -0.00000  -0.00030  -0.00052  -0.00082  -2.92430
   D423      -0.75047  -0.00001  -0.00012  -0.00056  -0.00068  -0.75116
   D424      -1.39628  -0.00000  -0.00101  -0.00083  -0.00184  -1.39813
   D425       2.81244  -0.00001  -0.00089  -0.00081  -0.00170   2.81074
   D426       0.64261  -0.00001  -0.00107  -0.00077  -0.00184   0.64078
   D427       1.04736  -0.00000  -0.00029  -0.00026  -0.00055   1.04681
   D428       3.13705  -0.00000  -0.00030  -0.00026  -0.00057   3.13648
   D429      -1.05777  -0.00000  -0.00030  -0.00026  -0.00056  -1.05832
   D430      -1.02667   0.00000  -0.00020  -0.00019  -0.00039  -1.02706
   D431       1.06302   0.00000  -0.00021  -0.00020  -0.00040   1.06262
   D432      -3.13179   0.00000  -0.00021  -0.00019  -0.00039  -3.13219
   D433       3.12747  -0.00000  -0.00024  -0.00019  -0.00043   3.12703
   D434      -1.06603   0.00000  -0.00025  -0.00020  -0.00045  -1.06648
   D435       1.02234   0.00000  -0.00025  -0.00019  -0.00044   1.02190
   D436      -1.36330   0.00000  -0.00046  -0.00035  -0.00081  -1.36411
   D437      -1.26078   0.00000  -0.00030  -0.00012  -0.00042  -1.26121
   D438       0.41417   0.00001  -0.00006   0.00018   0.00012   0.41429
   D439       1.08622   0.00000   0.00003  -0.00041  -0.00039   1.08583
   D440       0.90932   0.00000   0.00012  -0.00018  -0.00006   0.90926
   D441      -0.39240   0.00001   0.00033   0.00011   0.00044  -0.39196
         Item               Value     Threshold  Converged?
 Maximum Force            0.000036     0.000450     YES
 RMS     Force            0.000004     0.000300     YES
 Maximum Displacement     0.018999     0.001800     NO 
 RMS     Displacement     0.002993     0.001200     NO 
 Predicted change in Energy=-3.948863D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.835229    2.897758    0.557766
      2          6           0       -2.067302    1.522281    0.686327
      3          6           0       -1.018393    0.595580    0.726052
      4          6           0        0.307934    1.071907    0.674930
      5          6           0        0.549426    2.442186    0.515103
      6          6           0       -0.503470    3.342316    0.453865
      7          6           0       -1.235567   -0.864972    0.713006
      8          6           0       -0.169074   -1.742979    1.030486
      9          6           0        1.120528   -1.157001    1.539659
     10          6           0        1.434073    0.137024    0.831013
     11          6           0       -2.438236   -1.403777    0.242218
     12          6           0       -2.617875   -2.778555    0.042519
     13          6           0       -1.519684   -3.618543    0.274820
     14          6           0       -0.319248   -3.105208    0.749189
     15          7           0        2.230316   -2.048102    1.694991
     16          6           0        3.524005   -1.639032    1.250966
     17          6           0        3.672325   -0.375900    0.634803
     18          7           0        2.609033    0.491015    0.443611
     19          6           0        4.663391   -2.453207    1.347642
     20          6           0        5.894926   -2.015444    0.876418
     21          6           0        6.061525   -0.754748    0.275245
     22          6           0        4.924038    0.043137    0.162322
     23          6           0       -2.963476    3.859866    0.532130
     24          6           0       -3.910906   -3.313364   -0.446640
     25          6           0        7.382083   -0.299407   -0.221135
     26          6           0       -3.960485   -4.384563   -1.354770
     27          6           0       -5.173635   -4.880920   -1.821071
     28          6           0       -6.380480   -4.328056   -1.373509
     29          6           0       -6.348193   -3.266381   -0.460382
     30          6           0       -5.129835   -2.764070   -0.013992
     31          6           0       -2.856504    5.117493    1.150304
     32          6           0       -3.914458    6.021031    1.139360
     33          6           0       -5.111406    5.697273    0.487803
     34          6           0       -5.230441    4.451936   -0.142263
     35          6           0       -4.173772    3.547422   -0.110140
     36          6           0        8.293668   -1.200894   -0.796389
     37          6           0        9.530376   -0.775214   -1.271492
     38          6           0        9.899243    0.571863   -1.168480
     39          6           0        9.005197    1.481909   -0.590411
     40          6           0        7.764349    1.049954   -0.132568
     41          7           0       -6.189175    6.618922    0.465255
     42          7           0       -7.619424   -4.837195   -1.839315
     43          7           0       11.162676    1.009013   -1.643749
     44          6           0       -8.026374   -6.176863   -1.789563
     45          6           0       -9.323515   -6.285192   -2.352178
     46          6           0       -9.716788   -4.953184   -2.762023
     47          6           0       -8.644633   -4.086668   -2.429722
     48          6           0       -7.502677    6.354782    0.874687
     49          6           0       -8.284165    7.524796    0.698037
     50          6           0       -7.405098    8.539728    0.155880
     51          6           0       -6.122887    7.947917    0.026989
     52          6           0       11.379790    2.043211   -2.563091
     53          6           0       12.774109    2.178000   -2.784044
     54          6           0       13.428277    1.183018   -1.960161
     55          6           0       12.405569    0.480643   -1.273086
     56          6           0      -10.858549   -4.432076   -3.381493
     57          6           0      -10.914552   -3.070961   -3.665493
     58          6           0       -9.836804   -2.229028   -3.343028
     59          6           0       -8.689131   -2.721510   -2.725660
     60          6           0       -7.364033   -7.287505   -1.259448
     61          6           0       -8.012718   -8.518921   -1.320073
     62          6           0       -9.291558   -8.646799   -1.888041
     63          6           0       -9.952248   -7.534669   -2.401008
     64          6           0       -7.593572    9.870107   -0.235867
     65          6           0       -6.516465   10.584164   -0.752021
     66          6           0       -5.256199    9.977589   -0.886994
     67          6           0       -5.041003    8.655469   -0.504225
     68          6           0       -8.046106    5.187677    1.418640
     69          6           0       -9.395364    5.201179    1.765230
     70          6           0      -10.187893    6.347027    1.582520
     71          6           0       -9.637649    7.510852    1.054142
     72          6           0       14.767544    0.841040   -1.740183
     73          6           0       15.068470   -0.179857   -0.843663
     74          6           0       14.043340   -0.855683   -0.160331
     75          6           0       12.702346   -0.535980   -0.361061
     76          6           0       10.451678    2.840872   -3.238150
     77          6           0       10.942226    3.794673   -4.127139
     78          6           0       12.321255    3.951600   -4.347016
     79          6           0       13.239953    3.144965   -3.682395
     80          8           0        0.758704   -3.509414    3.481938
     81         15           0        2.091455   -3.342948    2.874801
     82          8           0        3.313381   -3.136971    3.893147
     83          8           0        2.625868   -4.568825    1.976360
     84          6           0        3.151415   -2.358741    5.121020
     85          6           0        4.213418   -2.819322    6.098481
     86          6           0        2.623883   -5.904135    2.562349
     87          6           0        2.971250   -6.891196    1.466338
     88          1           0       -3.088752    1.175687    0.795738
     89          1           0        1.577281    2.780949    0.453674
     90          1           0       -0.298896    4.399579    0.318674
     91          1           0       -3.236478   -0.731681   -0.050251
     92          1           0       -1.607394   -4.686341    0.103225
     93          1           0        0.512060   -3.783568    0.873495
     94          1           0        4.601702   -3.435599    1.788239
     95          1           0        6.753312   -2.668473    0.998828
     96          1           0        4.957575    1.012743   -0.322422
     97          1           0       -3.035897   -4.808353   -1.734059
     98          1           0       -5.192874   -5.684068   -2.550051
     99          1           0       -7.280034   -2.854655   -0.087598
    100          1           0       -5.123855   -1.960347    0.715746
    101          1           0       -1.946947    5.375120    1.683755
    102          1           0       -3.827227    6.972246    1.653563
    103          1           0       -6.144132    4.208257   -0.673902
    104          1           0       -4.274764    2.599009   -0.628583
    105          1           0        8.015336   -2.243888   -0.911634
    106          1           0       10.207252   -1.478956   -1.744330
    107          1           0        9.296776    2.521341   -0.483088
    108          1           0        7.095607    1.765109    0.336193
    109          1           0      -11.687779   -5.083990   -3.640979
    110          1           0      -11.795301   -2.654574   -4.144423
    111          1           0       -9.895361   -1.171148   -3.581564
    112          1           0       -7.857889   -2.066491   -2.489975
    113          1           0       -6.381956   -7.196031   -0.809195
    114          1           0       -7.517579   -9.396775   -0.915503
    115          1           0       -9.768339   -9.621524   -1.921230
    116          1           0      -10.945492   -7.632620   -2.829756
    117          1           0       -8.570121   10.336498   -0.142012
    118          1           0       -6.649709   11.617178   -1.058038
    119          1           0       -4.430176   10.548220   -1.301155
    120          1           0       -4.067776    8.192247   -0.621716
    121          1           0       -7.439324    4.302606    1.573645
    122          1           0       -9.840477    4.305689    2.188813
    123          1           0      -11.236784    6.323314    1.861397
    124          1           0      -10.248401    8.399630    0.923656
    125          1           0       15.561274    1.369988   -2.259990
    126          1           0       16.103405   -0.455085   -0.665613
    127          1           0       14.298823   -1.643106    0.542687
    128          1           0       11.917946   -1.055482    0.177906
    129          1           0        9.385580    2.719601   -3.082124
    130          1           0       10.240457    4.427332   -4.662607
    131          1           0       12.670243    4.706103   -5.045197
    132          1           0       14.305260    3.259956   -3.860982
    133          1           0        3.263444   -1.302810    4.862713
    134          1           0        2.140322   -2.516982    5.502764
    135          1           0        4.137648   -2.235446    7.021207
    136          1           0        4.084429   -3.876228    6.348437
    137          1           0        5.215390   -2.678137    5.683713
    138          1           0        3.360536   -5.925964    3.372205
    139          1           0        1.633008   -6.097253    2.983869
    140          1           0        3.957133   -6.677259    1.044643
    141          1           0        2.983381   -7.906122    1.875730
    142          1           0        2.233789   -6.852735    0.660117
    143         17           0        0.734562   -0.359101    3.403944
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177679           0.0074051           0.0058229
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13524.2532021612 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.75D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000123   -0.000021    0.000077 Ang=  -0.02 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -4306.68069088     A.U. after    7 cycles
            NFock=  7  Conv=0.71D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000016036    0.000029922   -0.000000881
      2        6           0.000018074   -0.000022022   -0.000000991
      3        6          -0.000023837    0.000010675    0.000001396
      4        6           0.000017624    0.000005134   -0.000007841
      5        6           0.000007149   -0.000012294   -0.000002075
      6        6          -0.000014263   -0.000003350    0.000006189
      7        6          -0.000016201   -0.000012756   -0.000005113
      8        6          -0.000006260   -0.000010428    0.000028130
      9        6           0.000081547    0.000019862   -0.000037427
     10        6          -0.000002417   -0.000054771    0.000021762
     11        6           0.000008652    0.000030723    0.000009123
     12        6           0.000006155   -0.000029014   -0.000005745
     13        6          -0.000021542   -0.000003541   -0.000008433
     14        6           0.000017920    0.000024694   -0.000002384
     15        7          -0.000112338    0.000003319    0.000010027
     16        6           0.000040825    0.000017588    0.000000708
     17        6           0.000080656   -0.000037257   -0.000003419
     18        7          -0.000061544    0.000042565   -0.000012339
     19        6          -0.000019496    0.000001036    0.000012357
     20        6           0.000004138    0.000015036   -0.000014539
     21        6           0.000028957   -0.000008611    0.000000988
     22        6          -0.000033856   -0.000001123    0.000007737
     23        6           0.000020383   -0.000010283    0.000001422
     24        6           0.000013294    0.000008914    0.000003730
     25        6          -0.000013886   -0.000008022    0.000002536
     26        6          -0.000003517   -0.000002578   -0.000002333
     27        6           0.000004128   -0.000004055    0.000005250
     28        6          -0.000004423   -0.000004013   -0.000002432
     29        6           0.000000747    0.000008584   -0.000001498
     30        6          -0.000009061   -0.000002783    0.000001188
     31        6           0.000000650    0.000005363   -0.000002812
     32        6          -0.000002100   -0.000003455    0.000003800
     33        6           0.000004754    0.000000417    0.000001395
     34        6           0.000005412   -0.000000872   -0.000006223
     35        6          -0.000009002   -0.000002807    0.000001551
     36        6           0.000004689   -0.000001316    0.000004266
     37        6          -0.000002229   -0.000000218   -0.000003734
     38        6          -0.000002509   -0.000003772    0.000000907
     39        6          -0.000002666   -0.000002132    0.000005311
     40        6           0.000000972    0.000007385   -0.000005241
     41        7          -0.000007690    0.000006369   -0.000000017
     42        7           0.000007784    0.000002189    0.000002070
     43        7           0.000007332    0.000006567   -0.000004186
     44        6           0.000005211   -0.000000362   -0.000012835
     45        6           0.000012394   -0.000003365   -0.000015515
     46        6          -0.000010352    0.000004547    0.000017638
     47        6          -0.000010759   -0.000000599    0.000012865
     48        6           0.000002260    0.000002517    0.000006808
     49        6          -0.000003751   -0.000006106   -0.000010217
     50        6           0.000001512    0.000007260    0.000009937
     51        6           0.000000674   -0.000007019   -0.000006576
     52        6           0.000000415   -0.000006594   -0.000002269
     53        6          -0.000003024    0.000009503    0.000007070
     54        6           0.000004905   -0.000009376   -0.000008576
     55        6          -0.000005099    0.000003744    0.000003980
     56        6           0.000004947   -0.000002355   -0.000008053
     57        6           0.000000032    0.000002176    0.000000339
     58        6          -0.000000325   -0.000000466   -0.000001692
     59        6           0.000002490   -0.000000053   -0.000002972
     60        6          -0.000001413   -0.000000223    0.000002952
     61        6          -0.000000950   -0.000000335    0.000000948
     62        6           0.000001574   -0.000000902    0.000000172
     63        6          -0.000005473    0.000001354    0.000006857
     64        6          -0.000001498   -0.000002743   -0.000005066
     65        6           0.000002189    0.000000474    0.000000587
     66        6           0.000000328    0.000000279   -0.000000537
     67        6           0.000000766   -0.000000269    0.000000101
     68        6           0.000001072   -0.000000559    0.000000210
     69        6          -0.000000258   -0.000000807    0.000000566
     70        6           0.000001134   -0.000001817   -0.000000742
     71        6           0.000000734    0.000002447    0.000004802
     72        6          -0.000001365    0.000004522    0.000004648
     73        6          -0.000000446   -0.000002060   -0.000000272
     74        6          -0.000000403   -0.000000153    0.000000563
     75        6           0.000000261   -0.000000513    0.000001381
     76        6          -0.000000529    0.000000156    0.000000425
     77        6          -0.000000805   -0.000000209   -0.000000600
     78        6          -0.000002275    0.000000249    0.000000745
     79        6           0.000001448   -0.000003458   -0.000003449
     80        8           0.000004619    0.000003222    0.000005323
     81       15          -0.000003638   -0.000008557   -0.000027681
     82        8          -0.000020501    0.000021204    0.000058844
     83        8           0.000001984    0.000005025    0.000003910
     84        6           0.000041630    0.000008247   -0.000074400
     85        6           0.000000384    0.000002530    0.000005803
     86        6          -0.000002196    0.000003205   -0.000002705
     87        6           0.000000477    0.000000866    0.000000273
     88        1           0.000000802   -0.000002116    0.000002089
     89        1          -0.000000608    0.000002646   -0.000000283
     90        1           0.000002375    0.000000760   -0.000003086
     91        1          -0.000000174   -0.000000978   -0.000004114
     92        1          -0.000000795   -0.000001081    0.000002049
     93        1           0.000003054   -0.000000410   -0.000000994
     94        1           0.000003628    0.000001550    0.000001444
     95        1          -0.000001705   -0.000000571    0.000004666
     96        1           0.000001298   -0.000001539   -0.000001781
     97        1           0.000001008    0.000001565    0.000000364
     98        1          -0.000000575    0.000000481   -0.000000612
     99        1           0.000000331   -0.000000762    0.000000388
    100        1           0.000001861   -0.000000165    0.000000155
    101        1          -0.000000270   -0.000001786    0.000001525
    102        1          -0.000000961    0.000001692   -0.000001081
    103        1          -0.000001812   -0.000000313    0.000001601
    104        1           0.000001241    0.000001493   -0.000000994
    105        1          -0.000001540    0.000001048   -0.000001590
    106        1           0.000001297    0.000000618    0.000000905
    107        1           0.000000380    0.000001103   -0.000001932
    108        1           0.000001328   -0.000000825    0.000001368
    109        1          -0.000000578    0.000000360    0.000001090
    110        1           0.000000313   -0.000000599   -0.000000346
    111        1          -0.000000054   -0.000000243    0.000000832
    112        1          -0.000000526   -0.000000162   -0.000000675
    113        1           0.000000211   -0.000000598   -0.000000278
    114        1           0.000000473    0.000000208   -0.000000515
    115        1          -0.000000502    0.000000148    0.000000654
    116        1           0.000000788   -0.000000188   -0.000000431
    117        1           0.000000527    0.000001175    0.000000214
    118        1          -0.000000858   -0.000000721   -0.000000910
    119        1          -0.000000661    0.000000188    0.000000205
    120        1           0.000000646   -0.000001007    0.000001995
    121        1           0.000001002    0.000000297   -0.000002073
    122        1          -0.000000617    0.000000338   -0.000000386
    123        1           0.000000041    0.000000898    0.000000764
    124        1          -0.000000513   -0.000001308   -0.000000136
    125        1           0.000000829   -0.000001149   -0.000000278
    126        1          -0.000000165    0.000001552    0.000000488
    127        1           0.000000433    0.000000334   -0.000000458
    128        1          -0.000000600   -0.000000688   -0.000002188
    129        1          -0.000000034   -0.000000243    0.000001642
    130        1           0.000000422    0.000000512    0.000000161
    131        1           0.000000878   -0.000000509   -0.000000789
    132        1          -0.000000621    0.000000925   -0.000000595
    133        1          -0.000050261   -0.000022192   -0.000008965
    134        1           0.000017580   -0.000034460    0.000041068
    135        1           0.000001088   -0.000001385   -0.000002486
    136        1           0.000000936   -0.000001828   -0.000000501
    137        1           0.000000828   -0.000000066   -0.000000643
    138        1          -0.000000592   -0.000000043    0.000000723
    139        1           0.000000197    0.000000377   -0.000000162
    140        1          -0.000000073    0.000000029   -0.000000195
    141        1          -0.000000383    0.000000571    0.000000317
    142        1           0.000000306   -0.000000263   -0.000000536
    143       17           0.000004029    0.000027834   -0.000002466
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000112338 RMS     0.000013352

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000057159 RMS     0.000005544
 Search for a local minimum.
 Step number  32 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   20   21   22   23   24
                                                     25   26   27   28   29
                                                     30   31   32
 DE= -5.35D-07 DEPred=-3.95D-07 R= 1.35D+00
 Trust test= 1.35D+00 RLast= 1.67D-02 DXMaxT set to 6.22D-01
 ITU=  0  0  0  1  0  1 -1  1  1  1  1  1  1 -1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00126   0.00220   0.00418   0.00421   0.00460
     Eigenvalues ---    0.00688   0.00777   0.01052   0.01619   0.01971
     Eigenvalues ---    0.02074   0.02385   0.02545   0.02597   0.02625
     Eigenvalues ---    0.02658   0.02695   0.02706   0.02708   0.02714
     Eigenvalues ---    0.02724   0.02726   0.02726   0.02729   0.02737
     Eigenvalues ---    0.02739   0.02752   0.02764   0.02771   0.02773
     Eigenvalues ---    0.02774   0.02775   0.02778   0.02783   0.02785
     Eigenvalues ---    0.02786   0.02788   0.02789   0.02791   0.02791
     Eigenvalues ---    0.02792   0.02792   0.02793   0.02794   0.02795
     Eigenvalues ---    0.02798   0.02801   0.02802   0.02803   0.02804
     Eigenvalues ---    0.02805   0.02807   0.02807   0.02808   0.02808
     Eigenvalues ---    0.02809   0.02811   0.02812   0.02814   0.02817
     Eigenvalues ---    0.02817   0.02817   0.02818   0.02818   0.02819
     Eigenvalues ---    0.02820   0.02825   0.02830   0.02840   0.02843
     Eigenvalues ---    0.02844   0.02845   0.02845   0.02846   0.02847
     Eigenvalues ---    0.02849   0.02851   0.02858   0.02867   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02869   0.02872   0.02873
     Eigenvalues ---    0.02876   0.02877   0.02878   0.02878   0.02878
     Eigenvalues ---    0.02879   0.02882   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02886   0.02886
     Eigenvalues ---    0.02887   0.02892   0.02893   0.02895   0.02897
     Eigenvalues ---    0.02898   0.02898   0.02899   0.02899   0.02900
     Eigenvalues ---    0.02905   0.02907   0.02910   0.02930   0.02942
     Eigenvalues ---    0.02949   0.03000   0.03024   0.03025   0.03027
     Eigenvalues ---    0.03044   0.03124   0.03133   0.03134   0.03140
     Eigenvalues ---    0.03149   0.03157   0.03262   0.03357   0.03499
     Eigenvalues ---    0.03981   0.04120   0.04673   0.05376   0.05562
     Eigenvalues ---    0.05579   0.05615   0.05726   0.05745   0.05814
     Eigenvalues ---    0.07584   0.08607   0.09335   0.10497   0.11038
     Eigenvalues ---    0.11429   0.11633   0.12588   0.13658   0.15186
     Eigenvalues ---    0.15602   0.15798   0.15865   0.15925   0.15955
     Eigenvalues ---    0.15972   0.15986   0.15986   0.15987   0.15988
     Eigenvalues ---    0.15988   0.15993   0.15996   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16002   0.16004   0.16005
     Eigenvalues ---    0.16007   0.16011   0.16067   0.16081   0.16107
     Eigenvalues ---    0.16227   0.16702   0.17270   0.18735   0.19937
     Eigenvalues ---    0.20898   0.21973   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22002   0.22002
     Eigenvalues ---    0.22004   0.22365   0.22416   0.22512   0.22600
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22603   0.22695
     Eigenvalues ---    0.22946   0.22965   0.22994   0.23158   0.23243
     Eigenvalues ---    0.23406   0.23510   0.23673   0.23968   0.24000
     Eigenvalues ---    0.24193   0.24475   0.24486   0.24489   0.24490
     Eigenvalues ---    0.24534   0.24550   0.24762   0.24888   0.24980
     Eigenvalues ---    0.24985   0.24985   0.24986   0.24987   0.24988
     Eigenvalues ---    0.24991   0.24996   0.24998   0.25000   0.25000
     Eigenvalues ---    0.25002   0.25004   0.25016   0.25021   0.25044
     Eigenvalues ---    0.25064   0.25111   0.25420   0.26253   0.27961
     Eigenvalues ---    0.28136   0.29028   0.29786   0.29793   0.30280
     Eigenvalues ---    0.32016   0.32098   0.32129   0.32142   0.32148
     Eigenvalues ---    0.32168   0.32181   0.32219   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33296   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33457   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33634   0.33639
     Eigenvalues ---    0.33640   0.33643   0.33647   0.33664   0.33702
     Eigenvalues ---    0.33722   0.33742   0.33820   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33922   0.33941
     Eigenvalues ---    0.33947   0.33955   0.33960   0.34430   0.34462
     Eigenvalues ---    0.34838   0.34919   0.35050   0.38571   0.40392
     Eigenvalues ---    0.41685   0.44243   0.44429   0.44437   0.44443
     Eigenvalues ---    0.44459   0.45471   0.46999   0.48701   0.48931
     Eigenvalues ---    0.48974   0.49060   0.49290   0.49362   0.49775
     Eigenvalues ---    0.49799   0.49812   0.49833   0.49853   0.49931
     Eigenvalues ---    0.50008   0.50209   0.50358   0.50402   0.50409
     Eigenvalues ---    0.50611   0.50614   0.50617   0.51488   0.51755
     Eigenvalues ---    0.52244   0.52429   0.52704   0.52834   0.53382
     Eigenvalues ---    0.54064   0.54112   0.54199   0.54201   0.54206
     Eigenvalues ---    0.54396   0.54425   0.54920   0.55121   0.55301
     Eigenvalues ---    0.55329   0.55348   0.55358   0.55397   0.55421
     Eigenvalues ---    0.55427   0.55497   0.55551   0.55618   0.55696
     Eigenvalues ---    0.55706   0.55757   0.55870   0.55939   0.55948
     Eigenvalues ---    0.56147   0.56152   0.56153   0.56223   0.56268
     Eigenvalues ---    0.56306   0.56351   0.56476   0.56662   0.56664
     Eigenvalues ---    0.56670   0.56672   0.56682   0.56703   0.56842
     Eigenvalues ---    0.56901   0.56914   0.57116   0.57173   0.57178
     Eigenvalues ---    0.57189   0.57195   0.57209   0.57582   0.58542
     Eigenvalues ---    0.61785   0.62763   0.66027   0.66069   0.67648
     Eigenvalues ---    0.67657   0.67666   0.68848   0.69916   0.70081
     Eigenvalues ---    0.72958   0.75168   0.80070
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    32   31   30   29   28   27   26   25   24   23
 RFO step:  Lambda=-3.63651426D-07.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 DIIS inversion failure, remove point   4.
 RFO-DIIS uses    3 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.80883   -1.22955    0.42072    0.00000    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00181551 RMS(Int)=  0.00000098
 Iteration  2 RMS(Cart)=  0.00000161 RMS(Int)=  0.00000022
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000022
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64718   0.00001  -0.00003   0.00002  -0.00001   2.64717
    R2        2.66043  -0.00001   0.00001  -0.00001  -0.00000   2.66043
    R3        2.80244  -0.00002   0.00000  -0.00003  -0.00002   2.80242
    R4        2.64600  -0.00002   0.00005  -0.00003   0.00002   2.64601
    R5        2.04881   0.00000  -0.00001  -0.00000  -0.00001   2.04881
    R6        2.66488   0.00000   0.00003   0.00000   0.00003   2.66491
    R7        2.79050  -0.00000   0.00002  -0.00001   0.00001   2.79051
    R8        2.64665  -0.00001   0.00002  -0.00000   0.00002   2.64666
    R9        2.78153  -0.00000  -0.00005   0.00001  -0.00004   2.78149
   R10        2.62024   0.00001  -0.00003   0.00002  -0.00001   2.62023
   R11        2.04843   0.00000  -0.00000   0.00001   0.00000   2.04843
   R12        2.05097   0.00000  -0.00000   0.00001   0.00000   2.05097
   R13        2.67855   0.00000  -0.00000   0.00000   0.00000   2.67855
   R14        2.64451  -0.00002   0.00004  -0.00003   0.00001   2.64452
   R15        2.84446  -0.00001   0.00006  -0.00003   0.00003   2.84449
   R16        2.64382  -0.00001  -0.00001  -0.00001  -0.00002   2.64380
   R17        2.85029  -0.00003   0.00013  -0.00009   0.00004   2.85033
   R18        2.70556  -0.00005   0.00029  -0.00014   0.00015   2.70570
   R19        3.90089   0.00002  -0.00030   0.00044   0.00014   3.90102
   R20        2.43175   0.00000  -0.00002   0.00001  -0.00001   2.43174
   R21        2.64708   0.00002  -0.00003   0.00002  -0.00001   2.64707
   R22        2.04793   0.00000  -0.00001   0.00000  -0.00001   2.04792
   R23        2.64937  -0.00001   0.00001  -0.00002  -0.00001   2.64936
   R24        2.80115  -0.00001   0.00006  -0.00004   0.00002   2.80118
   R25        2.62501   0.00002  -0.00002   0.00002   0.00000   2.62501
   R26        2.05045   0.00000  -0.00000   0.00000  -0.00000   2.05044
   R27        2.04116   0.00000  -0.00000   0.00000   0.00000   2.04117
   R28        2.69783   0.00004  -0.00009   0.00005  -0.00004   2.69779
   R29        3.32068  -0.00001   0.00007  -0.00004   0.00003   3.32072
   R30        5.34847  -0.00002   0.00020  -0.00022  -0.00003   5.34844
   R31        2.67058  -0.00002   0.00003  -0.00001   0.00002   2.67060
   R32        2.65264  -0.00001   0.00002  -0.00001   0.00000   2.65265
   R33        2.61759   0.00006  -0.00010   0.00006  -0.00004   2.61755
   R34        2.64940  -0.00002   0.00003  -0.00003   0.00001   2.64941
   R35        2.62554   0.00001  -0.00002   0.00001  -0.00000   2.62554
   R36        2.03795  -0.00000   0.00001  -0.00000   0.00001   2.03796
   R37        2.65808  -0.00001   0.00002  -0.00002   0.00000   2.65809
   R38        2.05125  -0.00000   0.00000  -0.00000  -0.00000   2.05125
   R39        2.63429   0.00001  -0.00002   0.00001  -0.00001   2.63428
   R40        2.80139  -0.00001   0.00002  -0.00003  -0.00001   2.80138
   R41        2.04949  -0.00000   0.00000  -0.00000  -0.00000   2.04949
   R42        2.65586   0.00000  -0.00000   0.00000  -0.00000   2.65586
   R43        2.65569   0.00000  -0.00000   0.00000  -0.00000   2.65568
   R44        2.65547   0.00000  -0.00001   0.00000  -0.00001   2.65546
   R45        2.65552   0.00000  -0.00001   0.00000  -0.00001   2.65551
   R46        2.65544   0.00000  -0.00001  -0.00000  -0.00001   2.65543
   R47        2.65555   0.00000  -0.00000   0.00000  -0.00000   2.65555
   R48        2.62906  -0.00000   0.00002  -0.00001   0.00001   2.62907
   R49        2.05131   0.00000  -0.00000   0.00000   0.00000   2.05131
   R50        2.64727   0.00000  -0.00002   0.00000  -0.00001   2.64725
   R51        2.05001   0.00000  -0.00000   0.00000   0.00000   2.05001
   R52        2.64696   0.00000  -0.00001   0.00001  -0.00001   2.64696
   R53        2.67994  -0.00000   0.00003  -0.00001   0.00003   2.67996
   R54        2.62935  -0.00000   0.00001  -0.00001   0.00001   2.62936
   R55        2.04999  -0.00000   0.00000   0.00000   0.00000   2.05000
   R56        2.05148  -0.00000   0.00000  -0.00000  -0.00000   2.05148
   R57        2.62921   0.00000   0.00000  -0.00000   0.00000   2.62921
   R58        2.05123  -0.00000   0.00000   0.00000   0.00000   2.05124
   R59        2.64699  -0.00000   0.00001  -0.00000   0.00000   2.64699
   R60        2.05000   0.00000  -0.00001   0.00000  -0.00000   2.05000
   R61        2.64698   0.00000  -0.00000   0.00000   0.00000   2.64698
   R62        2.68017   0.00000  -0.00001   0.00000  -0.00000   2.68017
   R63        2.62918  -0.00000   0.00001  -0.00001   0.00000   2.62918
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   D38       -2.91740   0.00000   0.00009   0.00017   0.00026  -2.91713
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   D319       0.01778  -0.00000   0.00003  -0.00003   0.00000   0.01778
   D320       3.12283  -0.00000   0.00003  -0.00002   0.00001   3.12283
   D321      -0.01377  -0.00000   0.00003  -0.00003   0.00000  -0.01377
   D322      -0.00572   0.00000  -0.00002   0.00002  -0.00000  -0.00572
   D323       3.14087   0.00000  -0.00002   0.00002  -0.00001   3.14086
   D324      -3.12237   0.00000  -0.00002   0.00001  -0.00001  -3.12238
   D325       0.01260   0.00000  -0.00004   0.00002  -0.00002   0.01258
   D326      -0.01689   0.00000  -0.00002   0.00002   0.00000  -0.01689
   D327       3.11808   0.00000  -0.00004   0.00003  -0.00001   3.11807
   D328       0.00666   0.00000  -0.00004   0.00002  -0.00002   0.00664
   D329      -3.14001   0.00000  -0.00003   0.00001  -0.00002  -3.14003
   D330      -3.12991   0.00000  -0.00006   0.00002  -0.00003  -3.12994
   D331       0.00661  -0.00000  -0.00005   0.00001  -0.00004   0.00657
   D332      -0.00738   0.00000   0.00002  -0.00001   0.00001  -0.00737
   D333       3.13106  -0.00000   0.00004  -0.00001   0.00003   3.13109
   D334       3.13928   0.00000   0.00001   0.00000   0.00001   3.13929
   D335      -0.00547   0.00000   0.00004  -0.00000   0.00003  -0.00544
   D336      -0.00471  -0.00000   0.00004  -0.00002   0.00003  -0.00468
   D337       3.13011  -0.00000   0.00005  -0.00003   0.00002   3.13013
   D338       3.14003  -0.00000   0.00002  -0.00001   0.00001   3.14004
   D339      -0.00834  -0.00000   0.00003  -0.00002   0.00000  -0.00833
   D340      -0.00467  -0.00000   0.00003  -0.00001   0.00002  -0.00465
   D341       3.14053  -0.00000   0.00002  -0.00001   0.00001   3.14054
   D342       3.12932  -0.00000   0.00003  -0.00002   0.00002   3.12933
   D343      -0.00867  -0.00000   0.00002  -0.00001   0.00000  -0.00866
   D344      -0.00761   0.00000   0.00002  -0.00000   0.00001  -0.00760
   D345       3.13950   0.00000   0.00001   0.00001   0.00002   3.13952
   D346       3.13036   0.00000   0.00003  -0.00001   0.00003   3.13039
   D347      -0.00571   0.00000   0.00003   0.00000   0.00003  -0.00568
   D348       0.00681   0.00000  -0.00003   0.00002  -0.00002   0.00680
   D349      -3.12951   0.00000  -0.00005   0.00002  -0.00003  -3.12955
   D350      -3.14032   0.00000  -0.00003   0.00001  -0.00002  -3.14033
   D351       0.00654  -0.00000  -0.00004   0.00001  -0.00004   0.00651
   D352       0.00664   0.00000   0.00000   0.00000   0.00000   0.00664
   D353      -3.14006  -0.00000  -0.00001   0.00000  -0.00001  -3.14007
   D354      -3.12985  -0.00000   0.00001  -0.00001   0.00000  -3.12985
   D355       0.00664  -0.00000  -0.00000  -0.00001  -0.00001   0.00663
   D356      -0.00741   0.00000  -0.00002   0.00001  -0.00001  -0.00742
   D357       3.13102   0.00000  -0.00001   0.00001  -0.00000   3.13102
   D358       3.13927   0.00000  -0.00001   0.00001   0.00000   3.13928
   D359      -0.00548   0.00000   0.00000   0.00001   0.00001  -0.00547
   D360      -0.00468   0.00000   0.00000  -0.00000   0.00000  -0.00468
   D361       3.13019   0.00000  -0.00003   0.00001  -0.00002   3.13017
   D362       3.14007   0.00000  -0.00001   0.00000  -0.00000   3.14006
   D363      -0.00825   0.00000  -0.00004   0.00001  -0.00003  -0.00828
   D364      -0.00469   0.00000   0.00001  -0.00000   0.00000  -0.00469
   D365       3.14052   0.00000  -0.00000   0.00000  -0.00000   3.14052
   D366       3.12925   0.00000  -0.00001   0.00000  -0.00001   3.12925
   D367      -0.00872   0.00000  -0.00002   0.00001  -0.00002  -0.00873
   D368      -0.00761   0.00000  -0.00002   0.00001  -0.00001  -0.00762
   D369       3.13948   0.00000  -0.00000   0.00001   0.00001   3.13949
   D370       3.13035   0.00000  -0.00001   0.00001  -0.00000   3.13035
   D371      -0.00575   0.00000   0.00001   0.00001   0.00001  -0.00573
   D372       0.00685   0.00000   0.00000   0.00000   0.00000   0.00685
   D373      -3.12953  -0.00000  -0.00001   0.00000  -0.00001  -3.12954
   D374      -3.14026  -0.00000  -0.00001   0.00000  -0.00001  -3.14027
   D375       0.00655  -0.00000  -0.00002  -0.00000  -0.00002   0.00653
   D376      -0.00640  -0.00000  -0.00000  -0.00000  -0.00000  -0.00641
   D377       3.14019   0.00000   0.00001   0.00000   0.00001   3.14020
   D378       3.13019   0.00000   0.00000   0.00000   0.00000   3.13019
   D379      -0.00640   0.00000   0.00001   0.00001   0.00002  -0.00639
   D380       0.00716  -0.00000   0.00001  -0.00001   0.00001   0.00717
   D381      -3.13120  -0.00000   0.00000  -0.00001  -0.00000  -3.13120
   D382      -3.13942  -0.00000   0.00001  -0.00001  -0.00001  -3.13943
   D383       0.00541  -0.00000  -0.00000  -0.00001  -0.00001   0.00539
   D384       0.00448  -0.00000  -0.00000   0.00000  -0.00000   0.00448
   D385      -3.13051  -0.00000   0.00002  -0.00001   0.00001  -3.13051
   D386      -3.14034  -0.00000   0.00001  -0.00000   0.00000  -3.14033
   D387       0.00786  -0.00000   0.00003  -0.00001   0.00001   0.00787
   D388       0.00449   0.00000  -0.00001   0.00000  -0.00001   0.00448
   D389      -3.14026  -0.00000   0.00000  -0.00000   0.00000  -3.14026
   D390      -3.13049  -0.00000   0.00001   0.00000   0.00001  -3.13048
   D391       0.00795  -0.00000   0.00002  -0.00000   0.00002   0.00796
   D392       0.00717  -0.00000   0.00002  -0.00001   0.00001   0.00718
   D393      -3.13936  -0.00000   0.00000  -0.00001  -0.00001  -3.13937
   D394      -3.13125  -0.00000   0.00001  -0.00001   0.00000  -3.13125
   D395       0.00539  -0.00000  -0.00001  -0.00001  -0.00001   0.00538
   D396      -0.00641  -0.00000   0.00000  -0.00000  -0.00000  -0.00641
   D397       3.13020   0.00000   0.00001  -0.00000   0.00001   3.13021
   D398       3.14014   0.00000   0.00001  -0.00000   0.00001   3.14015
   D399      -0.00643   0.00000   0.00002  -0.00000   0.00002  -0.00641
   D400       1.61935   0.00001  -0.00077   0.00035  -0.00043   1.61892
   D401      -0.64380   0.00001  -0.00082   0.00031  -0.00051  -0.64431
   D402      -2.86405  -0.00000  -0.00075   0.00028  -0.00047  -2.86452
   D403      -3.09278  -0.00000   0.00038   0.00007   0.00046  -3.09232
   D404      -0.91821   0.00000   0.00035   0.00009   0.00044  -0.91777
   D405       1.30068   0.00000   0.00037   0.00006   0.00044   1.30112
   D406       2.73161   0.00000   0.00259   0.00006   0.00265   2.73426
   D407      -1.44142   0.00001   0.00265   0.00010   0.00275  -1.43868
   D408       0.60635   0.00001   0.00261   0.00009   0.00270   0.60905
   D409       2.99858   0.00000  -0.00322  -0.00001  -0.00324   2.99534
   D410      -1.17493   0.00000  -0.00326  -0.00001  -0.00326  -1.17819
   D411       0.88234   0.00000  -0.00324  -0.00001  -0.00326   0.87908
   D412       3.11428   0.00000   0.00019   0.00004   0.00023   3.11451
   D413      -1.08231   0.00000   0.00019   0.00005   0.00024  -1.08207
   D414       1.02833  -0.00000   0.00020   0.00004   0.00024   1.02858
   D415       1.05160  -0.00000   0.00014  -0.00002   0.00012   1.05173
   D416       3.13820   0.00000   0.00014  -0.00001   0.00013   3.13833
   D417      -1.03434  -0.00000   0.00015  -0.00002   0.00013  -1.03421
   D418      -1.08437   0.00000   0.00009   0.00002   0.00011  -1.08426
   D419       1.00223   0.00000   0.00009   0.00003   0.00011   1.00234
   D420       3.11287  -0.00000   0.00010   0.00002   0.00012   3.11299
   D421       1.29751  -0.00001  -0.00051  -0.00043  -0.00094   1.29657
   D422      -2.92430  -0.00001  -0.00051  -0.00042  -0.00093  -2.92524
   D423      -0.75116  -0.00001  -0.00044  -0.00044  -0.00088  -0.75203
   D424      -1.39813  -0.00000  -0.00120   0.00002  -0.00118  -1.39931
   D425       2.81074  -0.00000  -0.00112   0.00006  -0.00106   2.80968
   D426       0.64078  -0.00001  -0.00121   0.00007  -0.00114   0.63964
   D427       1.04681   0.00000  -0.00035  -0.00002  -0.00037   1.04643
   D428       3.13648   0.00000  -0.00036  -0.00003  -0.00039   3.13610
   D429      -1.05832  -0.00000  -0.00035  -0.00003  -0.00038  -1.05870
   D430      -1.02706   0.00000  -0.00025  -0.00002  -0.00026  -1.02732
   D431       1.06262   0.00000  -0.00026  -0.00002  -0.00028   1.06234
   D432      -3.13219  -0.00000  -0.00025  -0.00002  -0.00027  -3.13246
   D433       3.12703  -0.00000  -0.00027  -0.00002  -0.00030   3.12674
   D434      -1.06648  -0.00000  -0.00028  -0.00003  -0.00031  -1.06679
   D435       1.02190  -0.00000  -0.00028  -0.00003  -0.00031   1.02160
   D436      -1.36411   0.00001  -0.00036   0.00063   0.00027  -1.36383
   D437      -1.26121   0.00001  -0.00018   0.00047   0.00029  -1.26091
   D438       0.41429   0.00001   0.00008   0.00019   0.00027   0.41457
   D439       1.08583  -0.00001  -0.00010   0.00039   0.00029   1.08612
   D440       0.90926   0.00000   0.00007   0.00024   0.00031   0.90957
   D441      -0.39196   0.00000   0.00028  -0.00012   0.00017  -0.39179
         Item               Value     Threshold  Converged?
 Maximum Force            0.000057     0.000450     YES
 RMS     Force            0.000006     0.000300     YES
 Maximum Displacement     0.012771     0.001800     NO 
 RMS     Displacement     0.001815     0.001200     NO 
 Predicted change in Energy=-1.780229D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.834608    2.897650    0.558013
      2          6           0       -2.066900    1.522199    0.686384
      3          6           0       -1.018160    0.595291    0.726049
      4          6           0        0.308254    1.071435    0.675033
      5          6           0        0.549957    2.441712    0.515438
      6          6           0       -0.502777    3.342030    0.454283
      7          6           0       -1.235630   -0.865220    0.712691
      8          6           0       -0.169185   -1.743529    1.029501
      9          6           0        1.120595   -1.157975    1.538760
     10          6           0        1.434279    0.136387    0.830746
     11          6           0       -2.438563   -1.403718    0.242210
     12          6           0       -2.618422   -2.778392    0.042020
     13          6           0       -1.520227   -3.618606    0.273452
     14          6           0       -0.319570   -3.105602    0.747622
     15          7           0        2.230296   -2.049424    1.693434
     16          6           0        3.523996   -1.640198    1.249663
     17          6           0        3.672487   -0.376668    0.634335
     18          7           0        2.609299    0.490442    0.443595
     19          6           0        4.663265   -2.454610    1.345763
     20          6           0        5.894871   -2.016689    0.874878
     21          6           0        6.061656   -0.755582    0.274617
     22          6           0        4.924279    0.042525    0.162190
     23          6           0       -2.962706    3.859914    0.532359
     24          6           0       -3.911752   -3.312869   -0.446752
     25          6           0        7.382296   -0.300060   -0.221367
     26          6           0       -3.961867   -4.383602   -1.355396
     27          6           0       -5.175298   -4.879670   -1.821287
     28          6           0       -6.381865   -4.326972   -1.372791
     29          6           0       -6.349038   -3.265757   -0.459155
     30          6           0       -5.130412   -2.763727   -0.013166
     31          6           0       -2.855735    5.117337    1.150944
     32          6           0       -3.913556    6.021031    1.139961
     33          6           0       -5.110362    5.697643    0.487953
     34          6           0       -5.229381    4.452514   -0.142529
     35          6           0       -4.172852    3.547837   -0.110371
     36          6           0        8.293744   -1.201220   -0.797342
     37          6           0        9.530542   -0.775356   -1.272052
     38          6           0        9.899645    0.571569   -1.167909
     39          6           0        9.005730    1.481284   -0.589113
     40          6           0        7.764794    1.049160   -0.131667
     41          7           0       -6.187990    6.619453    0.465362
     42          7           0       -7.621101   -4.835824   -1.838177
     43          7           0       11.163171    1.008895   -1.642763
     44          6           0       -8.028221   -6.175426   -1.788541
     45          6           0       -9.325552   -6.283475   -2.350780
     46          6           0       -9.718745   -4.951337   -2.760286
     47          6           0       -8.646350   -4.085046   -2.428159
     48          6           0       -7.501658    6.355372    0.874290
     49          6           0       -8.282920    7.525559    0.697778
     50          6           0       -7.403530    8.540543    0.156242
     51          6           0       -6.121366    7.948584    0.027564
     52          6           0       11.380501    2.043803   -2.561249
     53          6           0       12.774852    2.178530   -2.782040
     54          6           0       13.428813    1.182756   -1.958950
     55          6           0       12.405953    0.480002   -1.272487
     56          6           0      -10.860634   -4.429932   -3.379271
     57          6           0      -10.916534   -3.068751   -3.662965
     58          6           0       -9.838566   -2.227036   -3.340652
     59          6           0       -8.690767   -2.719810   -2.723753
     60          6           0       -7.365836   -7.286272   -1.258905
     61          6           0       -8.014701   -8.517589   -1.319579
     62          6           0       -9.293749   -8.645182   -1.887148
     63          6           0       -9.954460   -7.532862   -2.399671
     64          6           0       -7.591692    9.871086   -0.235093
     65          6           0       -6.514320   10.585173   -0.750648
     66          6           0       -5.254100    9.978459   -0.885433
     67          6           0       -5.039214    8.656175   -0.503061
     68          6           0       -8.045457    5.188174    1.417682
     69          6           0       -9.394825    5.201773    1.763834
     70          6           0      -10.187124    6.347799    1.581239
     71          6           0       -9.636523    7.511710    1.053428
     72          6           0       14.768013    0.840363   -1.739220
     73          6           0       15.068738   -0.181323   -0.843536
     74          6           0       14.043466   -0.857526   -0.160788
     75          6           0       12.702533   -0.537424   -0.361292
     76          6           0       10.452567    2.842203   -3.235685
     77          6           0       10.943328    3.796654   -4.123857
     78          6           0       12.322395    3.953520   -4.343544
     79          6           0       13.240913    3.146161   -3.679559
     80          8           0        0.758690   -3.511389    3.479917
     81         15           0        2.091413   -3.344733    2.872761
     82          8           0        3.313443   -3.139331    3.891086
     83          8           0        2.625637   -4.570268    1.973736
     84          6           0        3.151809   -2.361143    5.119025
     85          6           0        4.216084   -2.819645    6.094980
     86          6           0        2.623061   -5.905930    2.558926
     87          6           0        2.965837   -6.892916    1.461399
     88          1           0       -3.088430    1.175811    0.795671
     89          1           0        1.577874    2.780309    0.454125
     90          1           0       -0.298040    4.399285    0.319269
     91          1           0       -3.236894   -0.731464   -0.049637
     92          1           0       -1.608109   -4.686307    0.101341
     93          1           0        0.511734   -3.784072    0.871373
     94          1           0        4.601395   -3.437317    1.785644
     95          1           0        6.753166   -2.669926    0.996813
     96          1           0        4.957975    1.012449   -0.321905
     97          1           0       -3.037505   -4.807241   -1.735406
     98          1           0       -5.194970   -5.682472   -2.550637
     99          1           0       -7.280658   -2.854159   -0.085678
    100          1           0       -5.123997   -1.960372    0.716972
    101          1           0       -1.946280    5.374675    1.684712
    102          1           0       -3.826329    6.972073    1.654482
    103          1           0       -6.142934    4.209126   -0.674536
    104          1           0       -4.273817    2.599592   -0.629125
    105          1           0        8.015237   -2.244071   -0.913467
    106          1           0       10.207298   -1.478830   -1.745459
    107          1           0        9.297474    2.520578   -0.480903
    108          1           0        7.096159    1.764040    0.337666
    109          1           0      -11.690046   -5.081674   -3.638609
    110          1           0      -11.797368   -2.652132   -4.141538
    111          1           0       -9.897062   -1.169093   -3.578922
    112          1           0       -7.859369   -2.064952   -2.488167
    113          1           0       -6.383590   -7.195022   -0.808972
    114          1           0       -7.519537   -9.395598   -0.915372
    115          1           0       -9.770668   -9.619839   -1.920370
    116          1           0      -10.947847   -7.630594   -2.828138
    117          1           0       -8.568208   10.337574   -0.141381
    118          1           0       -6.647313   11.618312   -1.056351
    119          1           0       -4.427860   10.549114   -1.299128
    120          1           0       -4.066015    8.192863   -0.620431
    121          1           0       -7.438878    4.302952    1.572615
    122          1           0       -9.840212    4.306209    2.186974
    123          1           0      -11.236107    6.324152    1.859772
    124          1           0      -10.247088    8.400629    0.923021
    125          1           0       15.561844    1.369602   -2.258580
    126          1           0       16.103619   -0.456880   -0.665673
    127          1           0       14.298788   -1.645576    0.541588
    128          1           0       11.918040   -1.057234    0.177241
    129          1           0        9.386437    2.721000   -3.079827
    130          1           0       10.241694    4.429889   -4.658823
    131          1           0       12.671543    4.708539   -5.041089
    132          1           0       14.306253    3.261104   -3.857992
    133          1           0        3.261419   -1.305039    4.860421
    134          1           0        2.141548   -2.521246    5.502217
    135          1           0        4.140452   -2.235902    7.017798
    136          1           0        4.089538   -3.876803    6.345129
    137          1           0        5.217189   -2.676491    5.678797
    138          1           0        3.361920   -5.929347    3.366726
    139          1           0        1.633047   -6.097739    2.983057
    140          1           0        3.950763   -6.680108    1.036903
    141          1           0        2.977801   -7.908057    1.870259
    142          1           0        2.226052   -6.853056    0.657378
    143         17           0        0.735207   -0.361221    3.403734
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177707           0.0074051           0.0058224
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13524.3090407615 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.75D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000077   -0.000012    0.000061 Ang=  -0.01 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -4306.68069116     A.U. after    7 cycles
            NFock=  7  Conv=0.40D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000009218    0.000028076   -0.000000757
      2        6           0.000016520   -0.000022957    0.000002869
      3        6          -0.000023624    0.000016133    0.000004408
      4        6           0.000006993    0.000004386   -0.000012940
      5        6           0.000009924   -0.000010093    0.000003718
      6        6          -0.000015769   -0.000004896    0.000007926
      7        6          -0.000015198   -0.000015785   -0.000007655
      8        6           0.000006411    0.000012492    0.000045533
      9        6           0.000117871   -0.000002004   -0.000045185
     10        6          -0.000005786   -0.000086802    0.000045593
     11        6           0.000011046    0.000034316    0.000007173
     12        6          -0.000001356   -0.000035248   -0.000008904
     13        6          -0.000017042   -0.000000901   -0.000010108
     14        6           0.000016671    0.000016032    0.000000531
     15        7          -0.000158067    0.000030915    0.000013110
     16        6           0.000051479    0.000021232   -0.000003765
     17        6           0.000085763   -0.000048462   -0.000001692
     18        7          -0.000059226    0.000053625   -0.000016893
     19        6          -0.000017365   -0.000000619    0.000013102
     20        6           0.000002633    0.000014284   -0.000015180
     21        6           0.000028042   -0.000009014    0.000000705
     22        6          -0.000033657    0.000000865    0.000007489
     23        6           0.000013241   -0.000006934    0.000001369
     24        6           0.000018903    0.000013550    0.000006529
     25        6          -0.000012729   -0.000005892    0.000002991
     26        6          -0.000004979   -0.000005797   -0.000005495
     27        6           0.000008938   -0.000004387    0.000006754
     28        6          -0.000007562   -0.000004852   -0.000001552
     29        6           0.000001085    0.000012099   -0.000001551
     30        6          -0.000012399   -0.000003708    0.000000509
     31        6           0.000002766    0.000006955   -0.000004622
     32        6          -0.000001631   -0.000003971    0.000005105
     33        6           0.000007289   -0.000000504    0.000001180
     34        6           0.000005737   -0.000001078   -0.000007607
     35        6          -0.000009023   -0.000003725    0.000004354
     36        6           0.000006717   -0.000001526    0.000003527
     37        6          -0.000002944   -0.000002131   -0.000004614
     38        6          -0.000006102   -0.000005397    0.000002647
     39        6          -0.000002977   -0.000001959    0.000006035
     40        6           0.000000277    0.000008562   -0.000005977
     41        7          -0.000004662    0.000005312    0.000000322
     42        7           0.000017211    0.000008448    0.000002836
     43        7           0.000005541    0.000005116   -0.000004428
     44        6           0.000006522   -0.000010088   -0.000018873
     45        6           0.000014126   -0.000001284   -0.000017309
     46        6          -0.000009822    0.000004593    0.000021117
     47        6          -0.000023043    0.000001212    0.000016282
     48        6          -0.000004953   -0.000000185    0.000007866
     49        6          -0.000001892   -0.000005352   -0.000011890
     50        6           0.000002124    0.000005890    0.000011990
     51        6          -0.000001074   -0.000001376   -0.000007713
     52        6           0.000000685   -0.000001120   -0.000004550
     53        6          -0.000002550    0.000008977    0.000009096
     54        6           0.000002827   -0.000009354   -0.000009966
     55        6           0.000001839    0.000003072    0.000004827
     56        6           0.000005179   -0.000004106   -0.000008510
     57        6           0.000001605    0.000004751   -0.000000356
     58        6          -0.000002193   -0.000000848   -0.000002161
     59        6           0.000005084   -0.000000419   -0.000004737
     60        6          -0.000002172    0.000001202    0.000004990
     61        6          -0.000001678   -0.000001984    0.000000131
     62        6           0.000003717   -0.000000809    0.000002580
     63        6          -0.000006979    0.000001937    0.000006411
     64        6          -0.000002604   -0.000003421   -0.000005044
     65        6           0.000004418    0.000000468   -0.000000577
     66        6          -0.000000350    0.000001584   -0.000000350
     67        6           0.000001691   -0.000002138   -0.000001043
     68        6           0.000003328    0.000000266    0.000000532
     69        6          -0.000001713   -0.000001139    0.000000405
     70        6           0.000002769   -0.000003555    0.000000625
     71        6           0.000000521    0.000003600    0.000004134
     72        6          -0.000001151    0.000005371    0.000003835
     73        6          -0.000001401   -0.000003373    0.000001576
     74        6           0.000000950   -0.000000299    0.000000355
     75        6          -0.000001317   -0.000000156    0.000001915
     76        6          -0.000000973   -0.000001923    0.000000228
     77        6          -0.000000293    0.000001296   -0.000001330
     78        6          -0.000004351   -0.000000731   -0.000000238
     79        6           0.000002578   -0.000003416   -0.000003109
     80        8           0.000006884    0.000004393    0.000003483
     81       15           0.000000214   -0.000018827   -0.000029759
     82        8          -0.000017418    0.000024694    0.000051074
     83        8          -0.000009841   -0.000000392    0.000000468
     84        6           0.000039392   -0.000001685   -0.000075932
     85        6          -0.000000647    0.000004407    0.000008238
     86        6           0.000004182    0.000006449   -0.000002580
     87        6           0.000002875    0.000001109    0.000002618
     88        1           0.000000835   -0.000005123    0.000001374
     89        1          -0.000001847    0.000002176   -0.000002183
     90        1           0.000003461   -0.000000280   -0.000003104
     91        1          -0.000000704    0.000002166   -0.000005515
     92        1          -0.000000783   -0.000001631    0.000004569
     93        1           0.000000933   -0.000001734   -0.000002958
     94        1           0.000005568    0.000004402   -0.000000202
     95        1          -0.000001462   -0.000001401    0.000005618
     96        1           0.000000464   -0.000001193   -0.000001884
     97        1           0.000001062    0.000001391    0.000001530
     98        1          -0.000001649    0.000000026   -0.000001028
     99        1          -0.000000714   -0.000001499    0.000000002
    100        1           0.000002317    0.000000202    0.000000073
    101        1          -0.000001642   -0.000002220    0.000001788
    102        1          -0.000002118    0.000002170   -0.000001477
    103        1          -0.000003585   -0.000000241    0.000002192
    104        1           0.000000772    0.000001728   -0.000001227
    105        1          -0.000001503    0.000000807   -0.000001304
    106        1           0.000002781    0.000001452    0.000001060
    107        1           0.000001399    0.000001776   -0.000002679
    108        1           0.000001165   -0.000001017    0.000001460
    109        1          -0.000000625    0.000000955    0.000000710
    110        1          -0.000000040   -0.000001261    0.000000460
    111        1           0.000000352   -0.000000573    0.000000624
    112        1           0.000000338   -0.000000159    0.000000191
    113        1           0.000000375    0.000000195   -0.000000676
    114        1           0.000000025    0.000000593   -0.000000378
    115        1          -0.000000661    0.000000446   -0.000000270
    116        1           0.000001020   -0.000000621    0.000000027
    117        1           0.000000791    0.000001785   -0.000000070
    118        1          -0.000001351   -0.000000742   -0.000000382
    119        1          -0.000001043   -0.000000089    0.000000000
    120        1           0.000000813   -0.000001996    0.000003444
    121        1           0.000002432    0.000000847   -0.000003189
    122        1          -0.000000652    0.000000735   -0.000000202
    123        1          -0.000000370    0.000001222    0.000000097
    124        1          -0.000000847   -0.000001753    0.000000548
    125        1           0.000001104   -0.000001424    0.000000344
    126        1          -0.000000248    0.000001729   -0.000000257
    127        1           0.000000240    0.000000856   -0.000000565
    128        1          -0.000001951   -0.000001126   -0.000003123
    129        1          -0.000000179   -0.000000918    0.000003212
    130        1           0.000000871    0.000000258    0.000000152
    131        1           0.000001351   -0.000000422   -0.000000005
    132        1          -0.000001279    0.000001003   -0.000001247
    133        1          -0.000044790   -0.000019308   -0.000002479
    134        1           0.000019510   -0.000032703    0.000043681
    135        1           0.000002849   -0.000001193   -0.000000019
    136        1          -0.000000743   -0.000000382   -0.000001875
    137        1           0.000000123   -0.000000065   -0.000000796
    138        1          -0.000002632   -0.000001902    0.000002401
    139        1           0.000000154   -0.000000747   -0.000002305
    140        1          -0.000000492   -0.000000046    0.000000130
    141        1          -0.000000124   -0.000000140   -0.000000338
    142        1           0.000000572   -0.000000097   -0.000000158
    143       17          -0.000014485    0.000044042   -0.000029934
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000158067 RMS     0.000016181

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000087808 RMS     0.000006818
 Search for a local minimum.
 Step number  33 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   20   21   22   23   24
                                                     25   26   27   28   29
                                                     30   31   32   33
 DE= -2.88D-07 DEPred=-1.78D-07 R= 1.62D+00
 Trust test= 1.62D+00 RLast= 1.10D-02 DXMaxT set to 6.22D-01
 ITU=  0  0  0  0  1  0  1 -1  1  1  1  1  1  1 -1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00101   0.00166   0.00418   0.00420   0.00431
     Eigenvalues ---    0.00690   0.00781   0.00938   0.01611   0.01955
     Eigenvalues ---    0.02043   0.02383   0.02492   0.02588   0.02625
     Eigenvalues ---    0.02650   0.02695   0.02706   0.02708   0.02714
     Eigenvalues ---    0.02723   0.02724   0.02726   0.02729   0.02736
     Eigenvalues ---    0.02740   0.02752   0.02762   0.02771   0.02772
     Eigenvalues ---    0.02774   0.02775   0.02778   0.02783   0.02785
     Eigenvalues ---    0.02786   0.02789   0.02789   0.02791   0.02791
     Eigenvalues ---    0.02792   0.02792   0.02793   0.02794   0.02795
     Eigenvalues ---    0.02798   0.02801   0.02802   0.02803   0.02804
     Eigenvalues ---    0.02805   0.02807   0.02807   0.02808   0.02808
     Eigenvalues ---    0.02809   0.02811   0.02812   0.02813   0.02817
     Eigenvalues ---    0.02817   0.02817   0.02818   0.02818   0.02819
     Eigenvalues ---    0.02820   0.02826   0.02829   0.02838   0.02844
     Eigenvalues ---    0.02844   0.02845   0.02845   0.02846   0.02847
     Eigenvalues ---    0.02849   0.02852   0.02861   0.02867   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02870   0.02872   0.02873
     Eigenvalues ---    0.02876   0.02877   0.02878   0.02878   0.02878
     Eigenvalues ---    0.02879   0.02882   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02886   0.02887
     Eigenvalues ---    0.02888   0.02892   0.02893   0.02896   0.02897
     Eigenvalues ---    0.02898   0.02898   0.02899   0.02899   0.02900
     Eigenvalues ---    0.02905   0.02907   0.02910   0.02928   0.02942
     Eigenvalues ---    0.02949   0.03007   0.03009   0.03025   0.03025
     Eigenvalues ---    0.03028   0.03117   0.03133   0.03134   0.03137
     Eigenvalues ---    0.03147   0.03157   0.03266   0.03304   0.03469
     Eigenvalues ---    0.03972   0.04095   0.04702   0.05376   0.05563
     Eigenvalues ---    0.05579   0.05620   0.05726   0.05746   0.05957
     Eigenvalues ---    0.07825   0.08555   0.09345   0.10497   0.11052
     Eigenvalues ---    0.11431   0.11927   0.12585   0.13662   0.15223
     Eigenvalues ---    0.15603   0.15809   0.15881   0.15933   0.15961
     Eigenvalues ---    0.15972   0.15986   0.15986   0.15987   0.15988
     Eigenvalues ---    0.15989   0.15994   0.15996   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16003   0.16004   0.16005
     Eigenvalues ---    0.16008   0.16012   0.16064   0.16094   0.16138
     Eigenvalues ---    0.16345   0.16745   0.17288   0.18650   0.19917
     Eigenvalues ---    0.20990   0.21991   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22002   0.22002   0.22003
     Eigenvalues ---    0.22007   0.22381   0.22411   0.22507   0.22600
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22604   0.22695
     Eigenvalues ---    0.22946   0.22965   0.22994   0.23137   0.23270
     Eigenvalues ---    0.23398   0.23510   0.23702   0.23967   0.24000
     Eigenvalues ---    0.24201   0.24479   0.24486   0.24489   0.24491
     Eigenvalues ---    0.24534   0.24553   0.24742   0.24900   0.24980
     Eigenvalues ---    0.24985   0.24985   0.24986   0.24987   0.24988
     Eigenvalues ---    0.24992   0.24996   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25002   0.25005   0.25014   0.25023   0.25044
     Eigenvalues ---    0.25106   0.25121   0.25414   0.26404   0.27960
     Eigenvalues ---    0.28257   0.29014   0.29787   0.29793   0.30216
     Eigenvalues ---    0.32016   0.32098   0.32129   0.32142   0.32148
     Eigenvalues ---    0.32169   0.32183   0.32219   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33297   0.33319
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33457   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33634   0.33639
     Eigenvalues ---    0.33639   0.33643   0.33647   0.33664   0.33702
     Eigenvalues ---    0.33722   0.33742   0.33819   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33922   0.33940
     Eigenvalues ---    0.33947   0.33955   0.33960   0.34462   0.34470
     Eigenvalues ---    0.34845   0.34919   0.35068   0.38383   0.40365
     Eigenvalues ---    0.41753   0.43790   0.44429   0.44437   0.44441
     Eigenvalues ---    0.44461   0.45475   0.47225   0.48693   0.48929
     Eigenvalues ---    0.48975   0.49104   0.49292   0.49349   0.49764
     Eigenvalues ---    0.49798   0.49812   0.49833   0.49854   0.49926
     Eigenvalues ---    0.50004   0.50237   0.50254   0.50399   0.50408
     Eigenvalues ---    0.50611   0.50614   0.50617   0.51503   0.51874
     Eigenvalues ---    0.52304   0.52441   0.52784   0.52938   0.53501
     Eigenvalues ---    0.54065   0.54112   0.54199   0.54201   0.54206
     Eigenvalues ---    0.54391   0.54417   0.54921   0.55122   0.55300
     Eigenvalues ---    0.55328   0.55346   0.55358   0.55396   0.55422
     Eigenvalues ---    0.55424   0.55492   0.55561   0.55637   0.55697
     Eigenvalues ---    0.55706   0.55758   0.55884   0.55939   0.55948
     Eigenvalues ---    0.56147   0.56152   0.56153   0.56224   0.56268
     Eigenvalues ---    0.56306   0.56356   0.56578   0.56662   0.56664
     Eigenvalues ---    0.56670   0.56672   0.56682   0.56744   0.56844
     Eigenvalues ---    0.56901   0.56914   0.57117   0.57173   0.57178
     Eigenvalues ---    0.57189   0.57195   0.57209   0.57576   0.58847
     Eigenvalues ---    0.61814   0.64630   0.66048   0.66326   0.67650
     Eigenvalues ---    0.67658   0.67668   0.68827   0.69925   0.70093
     Eigenvalues ---    0.72840   0.74981   0.80100
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    33   32   31   30   29   28   27   26   25   24
 RFO step:  Lambda=-6.66526557D-07.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 RFO-DIIS uses    4 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    2.51414   -1.34253   -0.25262    0.08101    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00248225 RMS(Int)=  0.00000245
 Iteration  2 RMS(Cart)=  0.00000436 RMS(Int)=  0.00000073
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000073
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64717   0.00001  -0.00002   0.00002  -0.00001   2.64717
    R2        2.66043  -0.00001   0.00000  -0.00000  -0.00000   2.66043
    R3        2.80242  -0.00001  -0.00003   0.00001  -0.00002   2.80239
    R4        2.64601  -0.00002   0.00004  -0.00003   0.00001   2.64603
    R5        2.04881   0.00000  -0.00001   0.00001  -0.00000   2.04880
    R6        2.66491  -0.00001   0.00005  -0.00000   0.00005   2.66495
    R7        2.79051  -0.00001   0.00002  -0.00000   0.00002   2.79052
    R8        2.64666  -0.00001   0.00003  -0.00001   0.00002   2.64668
    R9        2.78149   0.00000  -0.00007   0.00002  -0.00005   2.78144
   R10        2.62023   0.00001  -0.00002   0.00001  -0.00001   2.62022
   R11        2.04843  -0.00000   0.00000  -0.00000  -0.00000   2.04843
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   A89        2.10006   0.00000  -0.00000   0.00001   0.00001   2.10007
   A90        2.11723  -0.00000  -0.00002   0.00000  -0.00001   2.11722
   A91        2.08470  -0.00000   0.00001  -0.00001   0.00001   2.08471
   A92        2.08032   0.00000   0.00000   0.00000   0.00000   2.08032
   A93        2.11739  -0.00000  -0.00000  -0.00000  -0.00000   2.11739
   A94        2.08555   0.00000  -0.00001   0.00001  -0.00001   2.08554
   A95        2.07935   0.00000   0.00002  -0.00000   0.00001   2.07936
   A96        2.09825  -0.00000   0.00000  -0.00001  -0.00000   2.09824
   A97        2.09966   0.00000  -0.00002   0.00002   0.00000   2.09966
   A98        2.08504  -0.00000   0.00002  -0.00001   0.00000   2.08504
   A99        2.07984   0.00000  -0.00001   0.00002   0.00001   2.07985
   A100       2.10198  -0.00000   0.00001  -0.00001   0.00000   2.10198
   A101       2.10136  -0.00000   0.00000  -0.00001  -0.00001   2.10135
   A102       2.09795  -0.00000   0.00001  -0.00001  -0.00000   2.09795
   A103       2.08487  -0.00000   0.00002  -0.00002  -0.00000   2.08487
   A104       2.10011   0.00000  -0.00003   0.00003   0.00000   2.10011
   A105       2.11775  -0.00000  -0.00001   0.00000  -0.00001   2.11774
   A106       2.08589  -0.00000  -0.00001   0.00000  -0.00001   2.08588
   A107       2.07866   0.00000   0.00002  -0.00000   0.00002   2.07867
   A108       2.11772  -0.00000   0.00000   0.00000   0.00000   2.11772
   A109       2.08688  -0.00000   0.00000   0.00000   0.00001   2.08689
   A110       2.07773   0.00000  -0.00000  -0.00000  -0.00001   2.07772
   A111       2.09812  -0.00000   0.00001  -0.00001   0.00000   2.09812
   A112       2.10001   0.00000  -0.00003   0.00002  -0.00000   2.10000
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   A114       2.07969   0.00000  -0.00002   0.00002   0.00000   2.07969
   A115       2.10163  -0.00000   0.00001  -0.00001   0.00000   2.10163
   A116       2.10187  -0.00000   0.00001  -0.00001  -0.00000   2.10187
   A117       2.09830  -0.00000   0.00001  -0.00001  -0.00000   2.09829
   A118       2.08497  -0.00000   0.00002  -0.00002   0.00000   2.08497
   A119       2.09969   0.00000  -0.00002   0.00002  -0.00000   2.09969
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   A121       2.08545   0.00000  -0.00000   0.00001   0.00000   2.08545
   A122       2.07941   0.00000  -0.00000  -0.00000  -0.00001   2.07940
   A123       2.19605  -0.00000   0.00000  -0.00001  -0.00001   2.19605
   A124       2.19625  -0.00000  -0.00000   0.00000  -0.00000   2.19625
   A125       1.89088   0.00000   0.00000   0.00001   0.00001   1.89089
   A126       2.19616   0.00000  -0.00001   0.00001  -0.00001   2.19615
   A127       2.19612  -0.00000  -0.00001  -0.00000  -0.00001   2.19611
   A128       1.89090  -0.00000   0.00002  -0.00000   0.00002   1.89092
   A129       2.19612  -0.00000   0.00000  -0.00000  -0.00000   2.19612
   A130       2.19611  -0.00000  -0.00000  -0.00000  -0.00001   2.19610
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   A132       1.90146  -0.00000   0.00000  -0.00000   0.00000   1.90146
   A133       2.25972  -0.00000  -0.00000  -0.00001  -0.00001   2.25971
   A134       2.12151   0.00000   0.00000   0.00001   0.00001   2.12152
   A135       1.86549   0.00000  -0.00001   0.00000  -0.00001   1.86548
   A136       2.08629  -0.00000  -0.00000  -0.00001  -0.00001   2.08628
   A137       2.33135  -0.00000   0.00002   0.00000   0.00002   2.33136
   A138       1.86547   0.00000  -0.00001   0.00000  -0.00001   1.86546
   A139       2.33133  -0.00000   0.00002   0.00000   0.00002   2.33135
   A140       2.08633  -0.00000  -0.00000  -0.00001  -0.00001   2.08632
   A141       1.90146  -0.00000   0.00000  -0.00000  -0.00000   1.90146
   A142       2.25984  -0.00000   0.00001  -0.00001  -0.00001   2.25983
   A143       2.12140   0.00000   0.00000   0.00001   0.00001   2.12141
   A144       1.90152   0.00000   0.00000   0.00000   0.00000   1.90152
   A145       2.25978  -0.00001   0.00003  -0.00003   0.00001   2.25979
   A146       2.12138   0.00001  -0.00004   0.00003  -0.00001   2.12138
   A147       1.86543  -0.00000  -0.00000  -0.00000  -0.00000   1.86542
   A148       2.08637  -0.00000   0.00003  -0.00002   0.00000   2.08637
   A149       2.33133   0.00001  -0.00002   0.00002   0.00000   2.33133
   A150       1.86548  -0.00000  -0.00000  -0.00000  -0.00000   1.86547
   A151       2.33129   0.00001  -0.00002   0.00002   0.00000   2.33129
   A152       2.08636  -0.00000   0.00002  -0.00002   0.00000   2.08636
   A153       1.90147   0.00000   0.00000  -0.00000   0.00000   1.90147
   A154       2.25984  -0.00001   0.00003  -0.00002   0.00000   2.25984
   A155       2.12139   0.00001  -0.00003   0.00003  -0.00000   2.12138
   A156       1.90165   0.00000   0.00000   0.00000   0.00000   1.90165
   A157       2.25945  -0.00001   0.00003  -0.00002   0.00000   2.25945
   A158       2.12163   0.00000  -0.00002   0.00002  -0.00000   2.12163
   A159       1.86526  -0.00000  -0.00000  -0.00000  -0.00000   1.86525
   A160       2.08623  -0.00000   0.00002  -0.00002   0.00000   2.08623
   A161       2.33164   0.00001  -0.00002   0.00002   0.00000   2.33165
   A162       1.86520  -0.00000  -0.00000  -0.00000  -0.00001   1.86520
   A163       2.33173   0.00000  -0.00002   0.00002   0.00000   2.33173
   A164       2.08619  -0.00000   0.00002  -0.00002   0.00000   2.08620
   A165       1.90171  -0.00000   0.00000  -0.00000   0.00000   1.90171
   A166       2.25957  -0.00000   0.00002  -0.00002   0.00000   2.25958
   A167       2.12144   0.00000  -0.00003   0.00002  -0.00000   2.12144
   A168       2.07984  -0.00000   0.00000  -0.00000   0.00000   2.07984
   A169       2.10020   0.00000  -0.00001   0.00000  -0.00001   2.10020
   A170       2.10313  -0.00000   0.00001  -0.00000   0.00000   2.10314
   A171       2.10409   0.00000  -0.00000   0.00000   0.00000   2.10410
   A172       2.09194  -0.00000   0.00001  -0.00001   0.00001   2.09194
   A173       2.08714   0.00000  -0.00001   0.00000  -0.00001   2.08714
   A174       2.11970  -0.00000   0.00000  -0.00000   0.00000   2.11970
   A175       2.08506   0.00000  -0.00001   0.00000  -0.00000   2.08506
   A176       2.07842  -0.00000   0.00000   0.00000   0.00000   2.07842
   A177       2.05485  -0.00000  -0.00000  -0.00000  -0.00001   2.05485
   A178       2.11727  -0.00000  -0.00000  -0.00001  -0.00001   2.11727
   A179       2.11104   0.00000   0.00000   0.00001   0.00001   2.11105
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   A181       2.11734  -0.00000  -0.00000  -0.00001  -0.00001   2.11733
   A182       2.11110   0.00000   0.00001   0.00001   0.00001   2.11112
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   A186       2.10410   0.00000  -0.00000   0.00000   0.00000   2.10410
   A187       2.08723   0.00000  -0.00001   0.00000  -0.00001   2.08722
   A188       2.09184  -0.00000   0.00001  -0.00001   0.00001   2.09185
   A189       2.07982  -0.00000   0.00000  -0.00000   0.00000   2.07982
   A190       2.10021   0.00000  -0.00001   0.00000  -0.00001   2.10020
   A191       2.10315  -0.00000   0.00001  -0.00000   0.00000   2.10315
   A192       2.07984  -0.00000   0.00000   0.00000   0.00000   2.07984
   A193       2.10016   0.00000  -0.00002   0.00001  -0.00001   2.10015
   A194       2.10318  -0.00000   0.00002  -0.00001   0.00001   2.10318
   A195       2.10405   0.00000  -0.00001   0.00001  -0.00000   2.10404
   A196       2.09190  -0.00000   0.00002  -0.00001   0.00001   2.09191
   A197       2.08722   0.00000  -0.00001  -0.00000  -0.00001   2.08722
   A198       2.11979  -0.00000   0.00001  -0.00001   0.00000   2.11980
   A199       2.08516   0.00000  -0.00000  -0.00000  -0.00000   2.08516
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   A201       2.05479  -0.00000   0.00001  -0.00001  -0.00000   2.05479
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   A204       2.05479  -0.00000   0.00001  -0.00001  -0.00000   2.05479
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   A206       2.11104   0.00000  -0.00003   0.00003  -0.00000   2.11104
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   A208       2.07829   0.00000  -0.00001   0.00001  -0.00000   2.07829
   A209       2.08512   0.00000  -0.00000  -0.00000  -0.00000   2.08512
   A210       2.10407   0.00000  -0.00002   0.00001  -0.00000   2.10406
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   A212       2.09193  -0.00000   0.00002  -0.00001   0.00001   2.09194
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   A214       2.10017   0.00000  -0.00002   0.00001  -0.00001   2.10016
   A215       2.10318  -0.00000   0.00002  -0.00001   0.00001   2.10319
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   A217       2.10016   0.00000  -0.00001   0.00001  -0.00001   2.10015
   A218       2.10308  -0.00000   0.00001  -0.00001   0.00001   2.10309
   A219       2.10407   0.00000  -0.00001   0.00001  -0.00000   2.10407
   A220       2.09187  -0.00000   0.00002  -0.00001   0.00001   2.09188
   A221       2.08723   0.00000  -0.00001  -0.00000  -0.00001   2.08723
   A222       2.11975  -0.00000   0.00001  -0.00001   0.00000   2.11976
   A223       2.08503   0.00000  -0.00000  -0.00000  -0.00000   2.08502
   A224       2.07840   0.00000  -0.00001   0.00001  -0.00000   2.07840
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   A227       2.11155   0.00000  -0.00002   0.00002  -0.00000   2.11155
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   A229       2.11719  -0.00000   0.00002  -0.00002   0.00000   2.11719
   A230       2.11137   0.00000  -0.00003   0.00003  -0.00000   2.11137
   A231       2.11985  -0.00000   0.00001  -0.00001   0.00000   2.11985
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   A234       2.10414   0.00000  -0.00001   0.00001  -0.00000   2.10414
   A235       2.08715   0.00000  -0.00001   0.00000  -0.00001   2.08715
   A236       2.09188  -0.00000   0.00002  -0.00001   0.00001   2.09189
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   A238       2.10023   0.00000  -0.00002   0.00001  -0.00001   2.10022
   A239       2.10317  -0.00000   0.00001  -0.00001   0.00001   2.10318
   A240       2.01668   0.00001   0.00004   0.00002   0.00006   2.01673
   A241       1.84573  -0.00001   0.00005  -0.00002   0.00003   1.84576
   A242       1.73150  -0.00001  -0.00006  -0.00001  -0.00007   1.73143
   A243       2.02845  -0.00000   0.00004  -0.00002   0.00002   2.02848
   A244       2.03049   0.00000  -0.00007   0.00005  -0.00002   2.03047
   A245       1.77120   0.00001  -0.00002  -0.00002  -0.00004   1.77116
   A246       2.11406   0.00001  -0.00002   0.00010   0.00007   2.11413
   A247       2.06261   0.00000   0.00002   0.00002   0.00004   2.06266
   A248       1.87774   0.00000  -0.00012   0.00002  -0.00010   1.87764
   A249       1.88011  -0.00000   0.00015   0.00004   0.00019   1.88029
   A250       1.89519   0.00000  -0.00013   0.00007  -0.00006   1.89513
   A251       1.95459   0.00000   0.00012  -0.00004   0.00008   1.95467
   A252       1.95991  -0.00001   0.00006  -0.00002   0.00003   1.95994
   A253       1.89382  -0.00000  -0.00008  -0.00006  -0.00013   1.89369
   A254       1.91045   0.00001  -0.00005   0.00003  -0.00002   1.91043
   A255       1.93754  -0.00000   0.00004  -0.00003   0.00001   1.93755
   A256       1.93724  -0.00000  -0.00001  -0.00001  -0.00002   1.93722
   A257       1.89090  -0.00000   0.00001   0.00000   0.00002   1.89092
   A258       1.89051  -0.00000   0.00002   0.00000   0.00002   1.89053
   A259       1.89599   0.00000  -0.00001  -0.00000  -0.00001   1.89598
   A260       1.88129   0.00000   0.00003   0.00001   0.00004   1.88134
   A261       1.89067   0.00000  -0.00019   0.00002  -0.00017   1.89050
   A262       1.89418  -0.00000   0.00011  -0.00000   0.00010   1.89428
   A263       1.94739  -0.00000   0.00003  -0.00002   0.00001   1.94741
   A264       1.95122   0.00000  -0.00004   0.00001  -0.00003   1.95118
   A265       1.89745  -0.00000   0.00005  -0.00001   0.00003   1.89748
   A266       1.93712  -0.00000  -0.00001  -0.00001  -0.00002   1.93710
   A267       1.91350   0.00000  -0.00001   0.00001  -0.00000   1.91350
   A268       1.93460   0.00000   0.00002  -0.00000   0.00001   1.93462
   A269       1.89200   0.00000  -0.00001   0.00000  -0.00000   1.89199
   A270       1.89327  -0.00000   0.00001  -0.00000   0.00001   1.89328
   A271       1.89224  -0.00000   0.00001  -0.00000   0.00000   1.89225
   A272       1.90433   0.00002   0.00414   0.00038   0.00453   1.90885
   A273       1.64546  -0.00002  -0.00372  -0.00037  -0.00409   1.64137
   A274       1.72809  -0.00002   0.00038  -0.00000   0.00038   1.72847
   A275       1.81375  -0.00002   0.00037  -0.00022   0.00015   1.81390
   A276       1.23252  -0.00001   0.00031   0.00004   0.00035   1.23287
   A277       1.33910  -0.00001   0.00025  -0.00010   0.00015   1.33925
   A278       0.55686  -0.00000  -0.00008  -0.00011  -0.00020   0.55667
    D1        0.01077   0.00000  -0.00007   0.00002  -0.00005   0.01072
    D2        3.11099   0.00000  -0.00003   0.00002  -0.00001   3.11098
    D3       -3.13065   0.00000  -0.00012   0.00002  -0.00010  -3.13075
    D4       -0.03042   0.00000  -0.00008   0.00002  -0.00006  -0.03048
    D5       -0.03072  -0.00000   0.00010  -0.00004   0.00007  -0.03065
    D6        3.10460  -0.00000   0.00006  -0.00004   0.00002   3.10462
    D7        3.11070  -0.00000   0.00016  -0.00004   0.00011   3.11081
    D8       -0.03717  -0.00000   0.00011  -0.00005   0.00007  -0.03710
    D9        2.49354   0.00000  -0.00043   0.00021  -0.00022   2.49332
   D10       -0.64879   0.00000  -0.00048   0.00022  -0.00026  -0.64905
   D11       -0.64787   0.00000  -0.00049   0.00021  -0.00027  -0.64815
   D12        2.49298   0.00000  -0.00053   0.00023  -0.00031   2.49267
   D13        0.03368   0.00000  -0.00003   0.00001  -0.00002   0.03366
   D14       -3.02195   0.00000   0.00015   0.00003   0.00019  -3.02177
   D15       -3.06623   0.00000  -0.00007   0.00002  -0.00005  -3.06628
   D16        0.16133   0.00000   0.00012   0.00004   0.00015   0.16148
   D17       -0.05875  -0.00000   0.00010  -0.00003   0.00007  -0.05868
   D18        3.04993  -0.00001   0.00044  -0.00016   0.00028   3.05021
   D19        3.00104  -0.00000  -0.00008  -0.00005  -0.00013   3.00091
   D20       -0.17346  -0.00000   0.00025  -0.00018   0.00008  -0.17339
   D21       -2.91477   0.00001  -0.00092   0.00019  -0.00074  -2.91550
   D22        0.35617   0.00000  -0.00088   0.00020  -0.00067   0.35549
   D23        0.31237   0.00000  -0.00073   0.00020  -0.00053   0.31185
   D24       -2.69988   0.00000  -0.00068   0.00022  -0.00046  -2.70034
   D25        0.03999   0.00000  -0.00007   0.00001  -0.00005   0.03994
   D26       -3.11520   0.00000  -0.00007   0.00001  -0.00005  -3.11525
   D27       -3.06868   0.00000  -0.00041   0.00014  -0.00026  -3.06895
   D28        0.05931   0.00000  -0.00041   0.00014  -0.00026   0.05905
   D29       -0.38878   0.00000   0.00030   0.00002   0.00031  -0.38847
   D30        2.82560   0.00000   0.00029   0.00003   0.00031   2.82591
   D31        2.71980  -0.00000   0.00063  -0.00011   0.00052   2.72032
   D32       -0.34901  -0.00000   0.00063  -0.00010   0.00052  -0.34849
   D33        0.00554   0.00000  -0.00004   0.00002  -0.00002   0.00553
   D34       -3.12978   0.00000   0.00001   0.00002   0.00003  -3.12975
   D35       -3.12210   0.00000  -0.00004   0.00002  -0.00001  -3.12212
   D36        0.02576   0.00000   0.00001   0.00003   0.00003   0.02580
   D37        0.13005  -0.00001   0.00061  -0.00008   0.00053   0.13059
   D38       -2.91713  -0.00001   0.00041  -0.00000   0.00041  -2.91672
   D39       -3.13860  -0.00001   0.00058  -0.00010   0.00048  -3.13812
   D40        0.09740  -0.00000   0.00038  -0.00002   0.00036   0.09776
   D41        2.98655   0.00000  -0.00031   0.00001  -0.00030   2.98625
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   D265       0.01406   0.00000  -0.00011   0.00008  -0.00003   0.01403
   D266       0.00586  -0.00000  -0.00001  -0.00002  -0.00003   0.00582
   D267      -3.14074  -0.00000   0.00002  -0.00002  -0.00000  -3.14074
   D268       3.12190  -0.00000   0.00015  -0.00007   0.00008   3.12198
   D269      -0.01289  -0.00000   0.00015  -0.00008   0.00008  -0.01281
   D270       0.01747   0.00000  -0.00010   0.00002  -0.00009   0.01738
   D271      -3.11732   0.00000  -0.00010   0.00001  -0.00008  -3.11740
   D272       0.00183   0.00000  -0.00001   0.00000  -0.00001   0.00182
   D273      -3.12943   0.00000  -0.00003   0.00003  -0.00000  -3.12943
   D274       3.11258   0.00000  -0.00000   0.00004   0.00004   3.11261
   D275      -0.01868   0.00000  -0.00002   0.00006   0.00004  -0.01864
   D276       3.12157  -0.00000   0.00002  -0.00000   0.00002   3.12159
   D277      -0.01233  -0.00000   0.00004  -0.00003   0.00002  -0.01232
   D278       0.01778  -0.00000   0.00001  -0.00004  -0.00004   0.01774
   D279      -3.11613  -0.00000   0.00003  -0.00007  -0.00003  -3.11616
   D280      -0.00226  -0.00000   0.00000   0.00000   0.00000  -0.00225
   D281       3.12699  -0.00000   0.00005  -0.00004   0.00001   3.12700
   D282       3.12693  -0.00000   0.00003  -0.00003  -0.00000   3.12693
   D283      -0.02701  -0.00000   0.00008  -0.00007   0.00001  -0.02700
   D284       0.00594  -0.00000   0.00001  -0.00003  -0.00002   0.00592
   D285      -3.14085  -0.00000   0.00003  -0.00003   0.00000  -3.14084
   D286      -3.12201   0.00000  -0.00001  -0.00000  -0.00001  -3.12202
   D287       0.01439   0.00000   0.00000   0.00001   0.00001   0.01440
   D288       0.00188  -0.00000   0.00000  -0.00000  -0.00000   0.00187
   D289       3.11284   0.00000   0.00001   0.00003   0.00004   3.11288
   D290      -3.12944   0.00000  -0.00004   0.00003  -0.00001  -3.12944
   D291      -0.01848   0.00000  -0.00003   0.00006   0.00004  -0.01844
   D292      -3.12207   0.00000  -0.00004   0.00001  -0.00003  -3.12210
   D293       0.01443   0.00000  -0.00004   0.00002  -0.00002   0.01442
   D294       0.00595  -0.00000   0.00001  -0.00003  -0.00002   0.00593
   D295      -3.14074  -0.00000   0.00001  -0.00002  -0.00001  -3.14074
   D296       3.12161  -0.00000   0.00003  -0.00001   0.00002   3.12164
   D297      -0.01321  -0.00000   0.00007  -0.00003   0.00004  -0.01317
   D298       0.01756  -0.00000   0.00002  -0.00005  -0.00003   0.01753
   D299      -3.11726  -0.00000   0.00006  -0.00007  -0.00002  -3.11728
   D300      -0.00178  -0.00000   0.00001  -0.00000   0.00000  -0.00178
   D301       3.12969  -0.00000   0.00004  -0.00003   0.00001   3.12970
   D302      -3.11365  -0.00000  -0.00002  -0.00003  -0.00005  -3.11370
   D303       0.01782  -0.00000   0.00001  -0.00006  -0.00004   0.01778
   D304      -3.12210   0.00000  -0.00004   0.00001  -0.00003  -3.12213
   D305       0.01284   0.00000  -0.00007   0.00003  -0.00004   0.01280
   D306      -0.01692   0.00000  -0.00000   0.00004   0.00004  -0.01688
   D307       3.11802   0.00000  -0.00003   0.00006   0.00003   3.11805
   D308       0.00219   0.00000  -0.00001   0.00000  -0.00001   0.00219
   D309      -3.12755   0.00000  -0.00003   0.00004   0.00001  -3.12754
   D310      -3.12724   0.00000  -0.00005   0.00003  -0.00002  -3.12726
   D311       0.02621   0.00000  -0.00007   0.00007  -0.00000   0.02620
   D312      -0.00574   0.00000  -0.00001   0.00003   0.00002  -0.00571
   D313       3.14081   0.00000  -0.00003   0.00003   0.00000   3.14081
   D314       3.12248  -0.00000   0.00004  -0.00000   0.00003   3.12252
   D315      -0.01415  -0.00000   0.00002  -0.00001   0.00001  -0.01414
   D316      -0.00182   0.00000   0.00000   0.00000   0.00000  -0.00182
   D317      -3.11394  -0.00000  -0.00001  -0.00002  -0.00003  -3.11398
   D318       3.12991  -0.00000   0.00002  -0.00003  -0.00001   3.12990
   D319       0.01778  -0.00000   0.00001  -0.00006  -0.00005   0.01774
   D320       3.12283  -0.00000   0.00002  -0.00001   0.00001   3.12284
   D321      -0.01377  -0.00000   0.00001  -0.00002  -0.00001  -0.01379
   D322      -0.00572   0.00000  -0.00001   0.00003   0.00002  -0.00570
   D323       3.14086   0.00000  -0.00002   0.00002   0.00000   3.14086
   D324      -3.12238   0.00000  -0.00002   0.00001  -0.00001  -3.12239
   D325       0.01258   0.00000  -0.00004   0.00003  -0.00001   0.01257
   D326      -0.01689   0.00000  -0.00000   0.00004   0.00004  -0.01685
   D327       3.11807   0.00000  -0.00003   0.00006   0.00004   3.11810
   D328       0.00664   0.00000  -0.00004   0.00002  -0.00002   0.00662
   D329      -3.14003   0.00000  -0.00004   0.00002  -0.00003  -3.14006
   D330      -3.12994   0.00000  -0.00007   0.00002  -0.00005  -3.12999
   D331       0.00657   0.00000  -0.00007   0.00001  -0.00006   0.00651
   D332      -0.00737  -0.00000   0.00002   0.00000   0.00002  -0.00734
   D333       3.13109  -0.00000   0.00005  -0.00001   0.00004   3.13113
   D334       3.13929   0.00000   0.00002   0.00001   0.00003   3.13932
   D335      -0.00544  -0.00000   0.00006  -0.00001   0.00005  -0.00539
   D336      -0.00468  -0.00000   0.00005  -0.00002   0.00003  -0.00465
   D337       3.13013  -0.00000   0.00005  -0.00002   0.00003   3.13016
   D338       3.14004  -0.00000   0.00002  -0.00001   0.00001   3.14005
   D339      -0.00833  -0.00000   0.00001  -0.00001   0.00001  -0.00832
   D340      -0.00465  -0.00000   0.00004  -0.00001   0.00002  -0.00463
   D341       3.14054  -0.00000   0.00001  -0.00001   0.00000   3.14054
   D342       3.12933  -0.00000   0.00003  -0.00001   0.00002   3.12936
   D343      -0.00866  -0.00000   0.00001  -0.00000   0.00001  -0.00865
   D344      -0.00760   0.00000   0.00002   0.00000   0.00003  -0.00757
   D345       3.13952   0.00000   0.00003   0.00001   0.00003   3.13955
   D346       3.13039  -0.00000   0.00005  -0.00000   0.00004   3.13043
   D347      -0.00568   0.00000   0.00005   0.00000   0.00005  -0.00563
   D348       0.00680   0.00000  -0.00003   0.00002  -0.00002   0.00678
   D349      -3.12955   0.00000  -0.00006   0.00002  -0.00005  -3.12959
   D350      -3.14033   0.00000  -0.00003   0.00001  -0.00002  -3.14036
   D351       0.00651   0.00000  -0.00006   0.00001  -0.00005   0.00646
   D352       0.00664  -0.00000   0.00001  -0.00001  -0.00000   0.00664
   D353      -3.14007   0.00000  -0.00001   0.00000  -0.00001  -3.14008
   D354      -3.12985  -0.00000   0.00001  -0.00002  -0.00001  -3.12986
   D355       0.00663  -0.00000  -0.00002  -0.00001  -0.00003   0.00660
   D356      -0.00742   0.00000  -0.00002   0.00002   0.00001  -0.00741
   D357       3.13102   0.00000  -0.00000   0.00002   0.00002   3.13103
   D358       3.13928   0.00000   0.00001   0.00001   0.00002   3.13929
   D359      -0.00547   0.00000   0.00002   0.00001   0.00003  -0.00544
   D360      -0.00468   0.00000   0.00000   0.00001   0.00001  -0.00467
   D361       3.13017   0.00000  -0.00004   0.00003  -0.00000   3.13017
   D362       3.14006   0.00000  -0.00001   0.00001  -0.00000   3.14006
   D363      -0.00828   0.00000  -0.00005   0.00003  -0.00002  -0.00829
   D364      -0.00469  -0.00000   0.00001   0.00000   0.00001  -0.00468
   D365       3.14052   0.00000  -0.00001   0.00000  -0.00000   3.14052
   D366       3.12925   0.00000  -0.00002   0.00003   0.00001   3.12926
   D367      -0.00873   0.00000  -0.00003   0.00003  -0.00000  -0.00874
   D368      -0.00762   0.00000  -0.00002   0.00002   0.00001  -0.00761
   D369       3.13949   0.00000   0.00001   0.00001   0.00002   3.13951
   D370       3.13035   0.00000  -0.00000   0.00002   0.00002   3.13037
   D371      -0.00573   0.00000   0.00002   0.00001   0.00003  -0.00570
   D372       0.00685  -0.00000   0.00000  -0.00001  -0.00000   0.00685
   D373      -3.12954  -0.00000  -0.00001  -0.00002  -0.00003  -3.12957
   D374      -3.14027   0.00000  -0.00002   0.00001  -0.00002  -3.14029
   D375       0.00653  -0.00000  -0.00004  -0.00000  -0.00004   0.00649
   D376      -0.00641   0.00000  -0.00000   0.00001   0.00000  -0.00640
   D377       3.14020   0.00000   0.00002  -0.00000   0.00001   3.14021
   D378       3.13019   0.00000   0.00001   0.00002   0.00002   3.13021
   D379      -0.00639   0.00000   0.00002   0.00001   0.00004  -0.00635
   D380       0.00717  -0.00000   0.00001  -0.00002  -0.00001   0.00716
   D381      -3.13120  -0.00000  -0.00000  -0.00002  -0.00002  -3.13122
   D382      -3.13943  -0.00000  -0.00001  -0.00001  -0.00002  -3.13945
   D383       0.00539  -0.00000  -0.00002  -0.00001  -0.00003   0.00536
   D384       0.00448  -0.00000  -0.00001  -0.00000  -0.00001   0.00446
   D385      -3.13051  -0.00000   0.00002  -0.00003  -0.00001  -3.13051
   D386      -3.14033  -0.00000   0.00000  -0.00001  -0.00000  -3.14033
   D387       0.00787  -0.00000   0.00003  -0.00003   0.00000   0.00787
   D388       0.00448   0.00000  -0.00001  -0.00000  -0.00001   0.00447
   D389      -3.14026  -0.00000   0.00000  -0.00000  -0.00000  -3.14026
   D390      -3.13048  -0.00000   0.00002  -0.00002  -0.00000  -3.13049
   D391       0.00796  -0.00000   0.00003  -0.00002   0.00001   0.00797
   D392       0.00718  -0.00000   0.00001  -0.00002  -0.00001   0.00717
   D393      -3.13937  -0.00000  -0.00001  -0.00001  -0.00002  -3.13939
   D394      -3.13125  -0.00000   0.00000  -0.00002  -0.00002  -3.13127
   D395       0.00538  -0.00000  -0.00002  -0.00001  -0.00003   0.00535
   D396      -0.00641   0.00000  -0.00000   0.00001   0.00000  -0.00641
   D397       3.13021   0.00000   0.00001   0.00001   0.00002   3.13024
   D398       3.14015  -0.00000   0.00002  -0.00001   0.00002   3.14017
   D399      -0.00641  -0.00000   0.00004   0.00000   0.00004  -0.00637
   D400       1.61892   0.00001  -0.00082   0.00014  -0.00068   1.61824
   D401      -0.64431   0.00001  -0.00095   0.00014  -0.00081  -0.64512
   D402      -2.86452  -0.00000  -0.00088   0.00011  -0.00076  -2.86528
   D403      -3.09232  -0.00001   0.00077   0.00001   0.00079  -3.09154
   D404      -0.91777   0.00000   0.00074   0.00005   0.00080  -0.91697
   D405       1.30112   0.00000   0.00074   0.00004   0.00078   1.30190
   D406       2.73426   0.00000   0.00458   0.00014   0.00472   2.73898
   D407      -1.43868   0.00001   0.00474   0.00012   0.00486  -1.43382
   D408       0.60905   0.00001   0.00466   0.00011   0.00478   0.61382
   D409       2.99534   0.00001  -0.00560   0.00052  -0.00509   2.99026
   D410      -1.17819   0.00001  -0.00565   0.00051  -0.00514  -1.18333
   D411       0.87908   0.00001  -0.00564   0.00050  -0.00513   0.87395
   D412       3.11451  -0.00000   0.00039  -0.00001   0.00038   3.11489
   D413      -1.08207   0.00000   0.00040   0.00000   0.00040  -1.08167
   D414       1.02858  -0.00000   0.00041  -0.00002   0.00038   1.02896
   D415       1.05173  -0.00000   0.00021  -0.00004   0.00017   1.05190
   D416       3.13833  -0.00000   0.00022  -0.00004   0.00019   3.13852
   D417      -1.03421  -0.00000   0.00023  -0.00006   0.00017  -1.03403
   D418      -1.08426   0.00000   0.00018   0.00008   0.00026  -1.08400
   D419       1.00234   0.00000   0.00019   0.00009   0.00028   1.00262
   D420       3.11299   0.00000   0.00020   0.00006   0.00026   3.11325
   D421       1.29657  -0.00001  -0.00153  -0.00030  -0.00184   1.29473
   D422      -2.92524  -0.00001  -0.00152  -0.00028  -0.00180  -2.92704
   D423      -0.75203  -0.00001  -0.00142  -0.00038  -0.00180  -0.75383
   D424      -1.39931  -0.00000  -0.00205  -0.00004  -0.00209  -1.40140
   D425       2.80968  -0.00000  -0.00185  -0.00010  -0.00195   2.80774
   D426       0.63964  -0.00001  -0.00199   0.00001  -0.00197   0.63767
   D427       1.04643   0.00000  -0.00064   0.00002  -0.00061   1.04582
   D428       3.13610   0.00000  -0.00066   0.00003  -0.00063   3.13546
   D429      -1.05870   0.00000  -0.00065   0.00003  -0.00062  -1.05932
   D430      -1.02732  -0.00000  -0.00045   0.00001  -0.00045  -1.02777
   D431       1.06234  -0.00000  -0.00048   0.00001  -0.00047   1.06187
   D432      -3.13246  -0.00000  -0.00047   0.00001  -0.00045  -3.13291
   D433       3.12674   0.00000  -0.00051   0.00003  -0.00048   3.12626
   D434      -1.06679   0.00000  -0.00053   0.00004  -0.00050  -1.06728
   D435       1.02160   0.00000  -0.00052   0.00004  -0.00048   1.02112
   D436      -1.36383   0.00001   0.00033   0.00056   0.00090  -1.36294
   D437      -1.26091   0.00001   0.00041   0.00038   0.00079  -1.26013
   D438       0.41457   0.00001   0.00043   0.00017   0.00061   0.41517
   D439       1.08612  -0.00001   0.00041   0.00022   0.00063   1.08675
   D440       0.90957   0.00000   0.00048   0.00013   0.00060   0.91017
   D441      -0.39179   0.00000   0.00031  -0.00009   0.00022  -0.39157
         Item               Value     Threshold  Converged?
 Maximum Force            0.000088     0.000450     YES
 RMS     Force            0.000007     0.000300     YES
 Maximum Displacement     0.018141     0.001800     NO 
 RMS     Displacement     0.002482     0.001200     NO 
 Predicted change in Energy=-3.299728D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.833681    2.897422    0.558117
      2          6           0       -2.066291    1.522009    0.686279
      3          6           0       -1.017798    0.594803    0.725773
      4          6           0        0.308749    1.070649    0.674768
      5          6           0        0.550752    2.440914    0.515440
      6          6           0       -0.501747    3.341510    0.454477
      7          6           0       -1.235715   -0.865645    0.711959
      8          6           0       -0.169316   -1.744386    1.027746
      9          6           0        1.120714   -1.159423    1.537093
     10          6           0        1.434603    0.135346    0.829938
     11          6           0       -2.439045   -1.403682    0.241967
     12          6           0       -2.619220   -2.778210    0.041033
     13          6           0       -1.520996   -3.618742    0.271126
     14          6           0       -0.320000   -3.106229    0.744983
     15          7           0        2.230263   -2.051318    1.691046
     16          6           0        3.524055   -1.641877    1.247807
     17          6           0        3.672778   -0.377918    0.633378
     18          7           0        2.609717    0.489440    0.443086
     19          6           0        4.663218   -2.456484    1.343512
     20          6           0        5.894948   -2.018366    0.873138
     21          6           0        6.061973   -0.756844    0.273812
     22          6           0        4.924701    0.041465    0.161747
     23          6           0       -2.961560    3.859925    0.532528
     24          6           0       -3.913011   -3.312200   -0.447111
     25          6           0        7.382750   -0.301104   -0.221601
     26          6           0       -3.963970   -4.382368   -1.356369
     27          6           0       -5.177838   -4.878004   -1.821600
     28          6           0       -6.383965   -4.325421   -1.371810
     29          6           0       -6.350295   -3.264765   -0.457566
     30          6           0       -5.131252   -2.763156   -0.012229
     31          6           0       -2.854459    5.117133    1.151528
     32          6           0       -3.912084    6.021061    1.140574
     33          6           0       -5.108801    5.698129    0.488181
     34          6           0       -5.227944    4.453226   -0.142722
     35          6           0       -4.171620    3.548307   -0.110593
     36          6           0        8.294258   -1.201955   -0.797962
     37          6           0        9.531199   -0.775874   -1.272114
     38          6           0        9.900384    0.570950   -1.167003
     39          6           0        9.006409    1.480356   -0.587816
     40          6           0        7.765337    1.048029   -0.130932
     41          7           0       -6.186234    6.620182    0.465609
     42          7           0       -7.623658   -4.833838   -1.836518
     43          7           0       11.164063    1.008489   -1.641272
     44          6           0       -8.031102   -6.173318   -1.786910
     45          6           0       -9.328715   -6.280942   -2.348595
     46          6           0       -9.721718   -4.948633   -2.757744
     47          6           0       -8.648922   -4.082695   -2.425964
     48          6           0       -7.499989    6.356321    0.874364
     49          6           0       -8.280988    7.526702    0.697945
     50          6           0       -7.401321    8.541578    0.156652
     51          6           0       -6.119271    7.949354    0.028019
     52          6           0       11.381672    2.043785   -2.559241
     53          6           0       12.776093    2.178609   -2.779547
     54          6           0       13.429799    1.182473   -1.956685
     55          6           0       12.406717    0.479431   -1.270840
     56          6           0      -10.863735   -4.426795   -3.376131
     57          6           0      -10.919384   -3.065546   -3.659545
     58          6           0       -9.841051   -2.224179   -3.337526
     59          6           0       -8.693116   -2.717380   -2.721224
     60          6           0       -7.368719   -7.284432   -1.257830
     61          6           0       -8.017925   -8.515571   -1.318415
     62          6           0       -9.297291   -8.642737   -1.885377
     63          6           0       -9.957964   -7.530163   -2.397394
     64          6           0       -7.589148    9.872225   -0.234496
     65          6           0       -6.511561   10.586163   -0.749802
     66          6           0       -5.251451    9.979197   -0.884525
     67          6           0       -5.036896    8.656805   -0.502342
     68          6           0       -8.044110    5.189145    1.417488
     69          6           0       -9.393511    5.202985    1.763499
     70          6           0      -10.185543    6.349217    1.581016
     71          6           0       -9.634631    7.513092    1.053454
     72          6           0       14.768930    0.839985   -1.736680
     73          6           0       15.069370   -0.182099   -0.841355
     74          6           0       14.043878   -0.858610   -0.159238
     75          6           0       12.703008   -0.538418   -0.360020
     76          6           0       10.453947    2.842521   -3.233569
     77          6           0       10.944983    3.797369   -4.121162
     78          6           0       12.324120    3.954311   -4.340382
     79          6           0       13.242431    3.146638   -3.676494
     80          8           0        0.758382   -3.514160    3.476734
     81         15           0        2.091199   -3.347129    2.869883
     82          8           0        3.313060   -3.142185    3.888478
     83          8           0        2.625641   -4.572231    1.970395
     84          6           0        3.151588   -2.363818    5.116299
     85          6           0        4.219753   -2.818129    6.089946
     86          6           0        2.622118   -5.908340    2.554583
     87          6           0        2.958230   -6.895361    1.455023
     88          1           0       -3.087923    1.175910    0.795503
     89          1           0        1.578755    2.779261    0.454184
     90          1           0       -0.296761    4.398740    0.319642
     91          1           0       -3.237515   -0.731186   -0.048928
     92          1           0       -1.609116   -4.686294    0.098235
     93          1           0        0.511312   -3.784849    0.867859
     94          1           0        4.601141   -3.439510    1.782667
     95          1           0        6.753147   -2.671789    0.994736
     96          1           0        4.958595    1.011724   -0.321661
     97          1           0       -3.039965   -4.805893   -1.737371
     98          1           0       -5.198198   -5.680398   -2.551381
     99          1           0       -7.281576   -2.853253   -0.083146
    100          1           0       -5.124159   -1.960246    0.718390
    101          1           0       -1.945056    5.374111    1.685559
    102          1           0       -3.824766    6.971938    1.655386
    103          1           0       -6.141426    4.210204   -0.675017
    104          1           0       -4.272656    2.600239   -0.629656
    105          1           0        8.015703   -2.244707   -0.914844
    106          1           0       10.208014   -1.479097   -1.745810
    107          1           0        9.298199    2.519561   -0.478878
    108          1           0        7.096659    1.762656    0.338723
    109          1           0      -11.693450   -5.078259   -3.635200
    110          1           0      -11.800299   -2.648593   -4.137677
    111          1           0       -9.899383   -1.166168   -3.575539
    112          1           0       -7.861448   -2.062791   -2.485834
    113          1           0       -6.386217   -7.193504   -0.808389
    114          1           0       -7.522780   -9.393787   -0.914632
    115          1           0       -9.774477   -9.617266   -1.918512
    116          1           0      -10.951571   -7.627569   -2.825427
    117          1           0       -8.565576   10.338905   -0.140818
    118          1           0       -6.644289   11.619375   -1.055371
    119          1           0       -4.425032   10.549746   -1.298010
    120          1           0       -4.063781    8.193306   -0.619668
    121          1           0       -7.437749    4.303756    1.572329
    122          1           0       -9.839142    4.307442    2.186428
    123          1           0      -11.234555    6.325752    1.859454
    124          1           0      -10.244985    8.402165    0.923106
    125          1           0       15.562919    1.369447   -2.255568
    126          1           0       16.104193   -0.457730   -0.663269
    127          1           0       14.298976   -1.646985    0.542854
    128          1           0       11.918345   -1.058478    0.178024
    129          1           0        9.387769    2.721271   -3.078074
    130          1           0       10.243517    4.430868   -4.656033
    131          1           0       12.673475    4.709631   -5.037496
    132          1           0       14.307827    3.261652   -3.854545
    133          1           0        3.256764   -1.307448    4.856974
    134          1           0        2.142767   -2.527272    5.501925
    135          1           0        4.144065   -2.234399    7.012765
    136          1           0        4.097684   -3.875678    6.340666
    137          1           0        5.219365   -2.671409    5.671427
    138          1           0        3.364139   -5.933999    3.359411
    139          1           0        1.633355   -6.098171    2.982497
    140          1           0        3.941748   -6.684233    1.026442
    141          1           0        2.969959   -7.910762    1.863249
    142          1           0        2.215088   -6.853585    0.654204
    143         17           0        0.735760   -0.363732    3.402646
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177752           0.0074049           0.0058217
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13524.4056870596 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.75D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000083   -0.000017    0.000092 Ang=  -0.01 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -4306.68069155     A.U. after    7 cycles
            NFock=  7  Conv=0.50D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000183    0.000022960   -0.000000362
      2        6           0.000013506   -0.000021480    0.000009149
      3        6          -0.000021028    0.000020504   -0.000000166
      4        6          -0.000013430    0.000009364   -0.000028069
      5        6           0.000013446   -0.000011226    0.000010686
      6        6          -0.000017490   -0.000006487    0.000009595
      7        6          -0.000008725   -0.000017982   -0.000008915
      8        6           0.000021700    0.000035386    0.000057820
      9        6           0.000148042   -0.000029813   -0.000054809
     10        6           0.000010150   -0.000109612    0.000047557
     11        6           0.000014506    0.000032829    0.000001296
     12        6          -0.000014402   -0.000040224   -0.000012703
     13        6          -0.000009927    0.000002833   -0.000010637
     14        6           0.000013063    0.000010081    0.000003389
     15        7          -0.000221115    0.000058088    0.000037752
     16        6           0.000060828    0.000030497   -0.000013803
     17        6           0.000079940   -0.000059235    0.000001757
     18        7          -0.000057299    0.000059012   -0.000017554
     19        6          -0.000016220   -0.000001405    0.000011747
     20        6           0.000001405    0.000014321   -0.000014350
     21        6           0.000025088   -0.000008453   -0.000000403
     22        6          -0.000031282    0.000000543    0.000006160
     23        6           0.000003373   -0.000001977    0.000001120
     24        6           0.000026563    0.000019961    0.000010642
     25        6          -0.000011194   -0.000003029    0.000003841
     26        6          -0.000007775   -0.000008786   -0.000009359
     27        6           0.000014346   -0.000005323    0.000010624
     28        6          -0.000015022   -0.000007870   -0.000001152
     29        6           0.000002087    0.000016795   -0.000003405
     30        6          -0.000014986   -0.000006036   -0.000000738
     31        6           0.000004464    0.000007180   -0.000007033
     32        6          -0.000000418   -0.000003658    0.000003594
     33        6           0.000005793   -0.000000109    0.000000492
     34        6           0.000005717   -0.000001930   -0.000006145
     35        6          -0.000007027   -0.000003867    0.000007673
     36        6           0.000008307   -0.000000721    0.000001338
     37        6          -0.000003472   -0.000004368   -0.000002609
     38        6          -0.000007337   -0.000004195    0.000003690
     39        6          -0.000003259   -0.000002275    0.000003798
     40        6           0.000000424    0.000008019   -0.000005581
     41        7           0.000002043    0.000002769    0.000000987
     42        7           0.000030654    0.000017545    0.000003624
     43        7           0.000001007    0.000001486   -0.000003854
     44        6           0.000008186   -0.000020776   -0.000026660
     45        6           0.000014756    0.000000987   -0.000015929
     46        6          -0.000007474    0.000005090    0.000021959
     47        6          -0.000036628    0.000002507    0.000021480
     48        6          -0.000012919   -0.000003627    0.000006072
     49        6           0.000000927   -0.000004094   -0.000011344
     50        6           0.000003159    0.000003579    0.000011942
     51        6          -0.000002838    0.000005697   -0.000005847
     52        6           0.000000631    0.000006755   -0.000004654
     53        6          -0.000002371    0.000006637    0.000009658
     54        6          -0.000000375   -0.000008133   -0.000009163
     55        6           0.000009957    0.000000883    0.000003414
     56        6           0.000005572   -0.000006082   -0.000006883
     57        6           0.000004055    0.000007711   -0.000001019
     58        6          -0.000004252   -0.000002126   -0.000002342
     59        6           0.000007227   -0.000001799   -0.000007075
     60        6          -0.000004296    0.000002998    0.000006298
     61        6          -0.000003106   -0.000003398   -0.000001476
     62        6           0.000006372   -0.000000202    0.000005749
     63        6          -0.000007727    0.000003648    0.000004707
     64        6          -0.000003258   -0.000004704   -0.000003846
     65        6           0.000007369   -0.000000030   -0.000002035
     66        6          -0.000001672    0.000002533    0.000000337
     67        6           0.000000906   -0.000004284   -0.000002152
     68        6           0.000004519    0.000002162    0.000000869
     69        6          -0.000003336   -0.000000751   -0.000000139
     70        6           0.000005267   -0.000005624    0.000002342
     71        6           0.000000989    0.000004657    0.000001974
     72        6          -0.000001680    0.000005384    0.000001611
     73        6          -0.000003131   -0.000004994    0.000003994
     74        6           0.000002263    0.000000130   -0.000000573
     75        6          -0.000002615    0.000001562    0.000001501
     76        6           0.000000257   -0.000003954   -0.000000291
     77        6           0.000001023    0.000002654   -0.000001485
     78        6          -0.000007092   -0.000002609   -0.000001192
     79        6           0.000003431   -0.000003612   -0.000001246
     80        8           0.000003020    0.000010886    0.000000201
     81       15           0.000012901   -0.000027067   -0.000036793
     82        8          -0.000005092    0.000029798    0.000042693
     83        8          -0.000035447   -0.000014050   -0.000008025
     84        6           0.000026305   -0.000001622   -0.000068816
     85        6          -0.000000961    0.000003316    0.000008659
     86        6           0.000014828    0.000012579    0.000001259
     87        6           0.000005286    0.000003224    0.000004001
     88        1           0.000001590   -0.000007235    0.000000407
     89        1          -0.000002249    0.000002998   -0.000004864
     90        1           0.000003902    0.000000181   -0.000002577
     91        1           0.000000599    0.000005155   -0.000007459
     92        1          -0.000000916   -0.000003576    0.000008330
     93        1           0.000002892   -0.000004336   -0.000000951
     94        1           0.000006935    0.000007460   -0.000002071
     95        1          -0.000000409   -0.000001769    0.000006332
     96        1          -0.000000324   -0.000000572   -0.000002050
     97        1           0.000002078    0.000001270    0.000002454
     98        1          -0.000002288    0.000000160   -0.000001758
     99        1          -0.000000972   -0.000002304    0.000000313
    100        1           0.000002582    0.000000796    0.000000628
    101        1          -0.000001977   -0.000002144    0.000002499
    102        1          -0.000002743    0.000002232   -0.000001201
    103        1          -0.000004117   -0.000000217    0.000002213
    104        1           0.000000474    0.000001167   -0.000001850
    105        1          -0.000001771   -0.000000084   -0.000000785
    106        1           0.000003436    0.000001949    0.000000714
    107        1           0.000002155    0.000002082   -0.000002529
    108        1           0.000000514   -0.000001140    0.000001565
    109        1          -0.000000684    0.000001593   -0.000000060
    110        1          -0.000000834   -0.000001922    0.000001449
    111        1           0.000000699   -0.000000560    0.000000118
    112        1           0.000000664   -0.000000150    0.000000380
    113        1           0.000000532    0.000000520   -0.000000640
    114        1          -0.000000270    0.000000713    0.000000145
    115        1          -0.000000819    0.000000454   -0.000001628
    116        1           0.000001106   -0.000001258    0.000000652
    117        1           0.000000897    0.000002452   -0.000000483
    118        1          -0.000001895   -0.000000521    0.000000387
    119        1          -0.000001264   -0.000000208   -0.000000506
    120        1           0.000000919   -0.000002466    0.000004308
    121        1           0.000003089    0.000001355   -0.000003578
    122        1          -0.000000761    0.000000957    0.000000231
    123        1          -0.000000983    0.000001479   -0.000000854
    124        1          -0.000001318   -0.000002135    0.000001542
    125        1           0.000001566   -0.000001400    0.000001184
    126        1           0.000000145    0.000001725   -0.000001238
    127        1           0.000000211    0.000001205   -0.000000305
    128        1          -0.000002688   -0.000001217   -0.000003388
    129        1          -0.000000340   -0.000001269    0.000004038
    130        1           0.000001053    0.000000009   -0.000000173
    131        1           0.000001873    0.000000171    0.000000797
    132        1          -0.000001633    0.000001149   -0.000002097
    133        1          -0.000034831   -0.000017844    0.000004820
    134        1           0.000025561   -0.000034423    0.000040435
    135        1           0.000003796   -0.000001450    0.000000326
    136        1          -0.000000815   -0.000000775   -0.000001626
    137        1          -0.000000047    0.000000143   -0.000000868
    138        1          -0.000006227   -0.000002954    0.000005762
    139        1          -0.000001103   -0.000001938   -0.000006153
    140        1          -0.000000030   -0.000000297   -0.000000090
    141        1          -0.000000389    0.000000065   -0.000000325
    142        1           0.000000713   -0.000000033   -0.000000733
    143       17          -0.000023074    0.000044807   -0.000027606
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000221115 RMS     0.000019575

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000134015 RMS     0.000008486
 Search for a local minimum.
 Step number  34 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   20   21   22   23   24
                                                     25   26   27   28   29
                                                     30   31   32   33   34
 DE= -3.91D-07 DEPred=-3.30D-07 R= 1.19D+00
 Trust test= 1.19D+00 RLast= 1.91D-02 DXMaxT set to 6.22D-01
 ITU=  0  0  0  0  0  1  0  1 -1  1  1  1  1  1  1 -1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00088   0.00154   0.00405   0.00418   0.00423
     Eigenvalues ---    0.00685   0.00787   0.00841   0.01603   0.01888
     Eigenvalues ---    0.02072   0.02372   0.02488   0.02602   0.02628
     Eigenvalues ---    0.02664   0.02696   0.02706   0.02708   0.02714
     Eigenvalues ---    0.02721   0.02724   0.02726   0.02729   0.02736
     Eigenvalues ---    0.02740   0.02753   0.02762   0.02771   0.02772
     Eigenvalues ---    0.02774   0.02776   0.02778   0.02782   0.02785
     Eigenvalues ---    0.02786   0.02789   0.02790   0.02791   0.02791
     Eigenvalues ---    0.02792   0.02792   0.02793   0.02794   0.02795
     Eigenvalues ---    0.02798   0.02801   0.02802   0.02803   0.02804
     Eigenvalues ---    0.02805   0.02807   0.02807   0.02808   0.02808
     Eigenvalues ---    0.02809   0.02811   0.02812   0.02815   0.02817
     Eigenvalues ---    0.02817   0.02817   0.02818   0.02818   0.02819
     Eigenvalues ---    0.02820   0.02826   0.02829   0.02837   0.02844
     Eigenvalues ---    0.02844   0.02845   0.02845   0.02846   0.02847
     Eigenvalues ---    0.02849   0.02852   0.02860   0.02867   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02870   0.02872   0.02873
     Eigenvalues ---    0.02876   0.02877   0.02877   0.02878   0.02878
     Eigenvalues ---    0.02879   0.02882   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02886   0.02887
     Eigenvalues ---    0.02887   0.02892   0.02893   0.02895   0.02896
     Eigenvalues ---    0.02897   0.02898   0.02899   0.02899   0.02899
     Eigenvalues ---    0.02905   0.02907   0.02910   0.02927   0.02942
     Eigenvalues ---    0.02948   0.02986   0.03020   0.03025   0.03025
     Eigenvalues ---    0.03037   0.03117   0.03133   0.03134   0.03139
     Eigenvalues ---    0.03149   0.03161   0.03277   0.03323   0.03433
     Eigenvalues ---    0.03968   0.04103   0.04703   0.05376   0.05565
     Eigenvalues ---    0.05579   0.05619   0.05726   0.05746   0.05955
     Eigenvalues ---    0.07506   0.08548   0.09374   0.10503   0.11048
     Eigenvalues ---    0.11432   0.11984   0.12607   0.13662   0.15243
     Eigenvalues ---    0.15612   0.15810   0.15893   0.15936   0.15964
     Eigenvalues ---    0.15972   0.15986   0.15986   0.15987   0.15988
     Eigenvalues ---    0.15989   0.15994   0.15996   0.15997   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16003   0.16004   0.16005
     Eigenvalues ---    0.16008   0.16012   0.16065   0.16100   0.16150
     Eigenvalues ---    0.16348   0.16780   0.17313   0.18641   0.20007
     Eigenvalues ---    0.20953   0.21998   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22001   0.22002   0.22003   0.22004
     Eigenvalues ---    0.22023   0.22395   0.22407   0.22503   0.22600
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22604   0.22695
     Eigenvalues ---    0.22945   0.22966   0.22992   0.23135   0.23278
     Eigenvalues ---    0.23409   0.23511   0.23725   0.23967   0.24001
     Eigenvalues ---    0.24206   0.24479   0.24486   0.24489   0.24491
     Eigenvalues ---    0.24533   0.24539   0.24730   0.24900   0.24980
     Eigenvalues ---    0.24985   0.24985   0.24986   0.24987   0.24988
     Eigenvalues ---    0.24992   0.24996   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25002   0.25004   0.25012   0.25023   0.25040
     Eigenvalues ---    0.25109   0.25128   0.25423   0.26505   0.27953
     Eigenvalues ---    0.28377   0.29025   0.29787   0.29793   0.30180
     Eigenvalues ---    0.32016   0.32098   0.32129   0.32142   0.32148
     Eigenvalues ---    0.32170   0.32184   0.32220   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33297   0.33319
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33457   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33634   0.33639
     Eigenvalues ---    0.33639   0.33643   0.33648   0.33664   0.33702
     Eigenvalues ---    0.33722   0.33743   0.33820   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33922   0.33940
     Eigenvalues ---    0.33947   0.33955   0.33960   0.34463   0.34506
     Eigenvalues ---    0.34849   0.34919   0.35075   0.38093   0.40385
     Eigenvalues ---    0.41792   0.43134   0.44429   0.44434   0.44439
     Eigenvalues ---    0.44455   0.45467   0.47190   0.48700   0.48928
     Eigenvalues ---    0.48975   0.49094   0.49267   0.49406   0.49767
     Eigenvalues ---    0.49798   0.49814   0.49840   0.49865   0.49922
     Eigenvalues ---    0.50002   0.50197   0.50262   0.50399   0.50408
     Eigenvalues ---    0.50611   0.50614   0.50617   0.51503   0.51909
     Eigenvalues ---    0.52211   0.52441   0.52787   0.53111   0.53648
     Eigenvalues ---    0.54066   0.54113   0.54199   0.54201   0.54206
     Eigenvalues ---    0.54340   0.54446   0.54920   0.55123   0.55299
     Eigenvalues ---    0.55328   0.55345   0.55357   0.55393   0.55420
     Eigenvalues ---    0.55422   0.55488   0.55569   0.55644   0.55698
     Eigenvalues ---    0.55707   0.55759   0.55898   0.55939   0.55948
     Eigenvalues ---    0.56147   0.56152   0.56153   0.56224   0.56269
     Eigenvalues ---    0.56306   0.56358   0.56607   0.56662   0.56664
     Eigenvalues ---    0.56670   0.56672   0.56682   0.56778   0.56845
     Eigenvalues ---    0.56901   0.56914   0.57119   0.57173   0.57179
     Eigenvalues ---    0.57189   0.57195   0.57209   0.57565   0.58397
     Eigenvalues ---    0.61820   0.65235   0.66049   0.66622   0.67652
     Eigenvalues ---    0.67659   0.67666   0.68806   0.69957   0.70106
     Eigenvalues ---    0.71697   0.74953   0.80082
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    34   33   32   31   30   29   28   27   26   25
 RFO step:  Lambda=-5.87775295D-07.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 RFO-DIIS uses    4 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    2.10431   -0.68884   -0.99006    0.57459    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00217749 RMS(Int)=  0.00000182
 Iteration  2 RMS(Cart)=  0.00000860 RMS(Int)=  0.00000072
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000072
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64717   0.00001   0.00002   0.00002   0.00004   2.64721
    R2        2.66043  -0.00001  -0.00001  -0.00001  -0.00002   2.66040
    R3        2.80239  -0.00001  -0.00005  -0.00001  -0.00006   2.80234
    R4        2.64603  -0.00002  -0.00002  -0.00002  -0.00004   2.64598
    R5        2.04880   0.00000  -0.00000   0.00000   0.00000   2.04880
    R6        2.66495  -0.00001   0.00005  -0.00000   0.00005   2.66500
    R7        2.79052  -0.00001   0.00000   0.00002   0.00002   2.79055
    R8        2.64668  -0.00001   0.00001  -0.00002  -0.00002   2.64667
    R9        2.78144   0.00002  -0.00004   0.00003  -0.00001   2.78143
   R10        2.62022   0.00001   0.00001   0.00001   0.00002   2.62024
   R11        2.04843  -0.00000   0.00000  -0.00000   0.00000   2.04843
   R12        2.05097  -0.00000   0.00000  -0.00000  -0.00000   2.05097
   R13        2.67856  -0.00000   0.00002  -0.00001   0.00001   2.67857
   R14        2.64452  -0.00002  -0.00004  -0.00001  -0.00005   2.64447
   R15        2.84452  -0.00005  -0.00007   0.00010   0.00003   2.84455
   R16        2.64378   0.00000  -0.00002  -0.00003  -0.00005   2.64372
   R17        2.85031  -0.00006  -0.00020   0.00005  -0.00015   2.85015
   R18        2.70586  -0.00013  -0.00011  -0.00005  -0.00017   2.70569
   R19        3.90108   0.00002   0.00106  -0.00072   0.00035   3.90143
   R20        2.43176   0.00001   0.00004  -0.00003   0.00001   2.43177
   R21        2.64708   0.00002   0.00004   0.00002   0.00006   2.64713
   R22        2.04791   0.00000  -0.00000   0.00001   0.00000   2.04791
   R23        2.64935  -0.00000  -0.00003  -0.00002  -0.00005   2.64930
   R24        2.80121  -0.00003  -0.00000  -0.00001  -0.00001   2.80120
   R25        2.62502   0.00001   0.00003   0.00002   0.00005   2.62507
   R26        2.05044   0.00000  -0.00000   0.00000   0.00000   2.05044
   R27        2.04117   0.00000   0.00001   0.00001   0.00002   2.04119
   R28        2.69775   0.00006   0.00002   0.00005   0.00007   2.69782
   R29        3.32083  -0.00001   0.00013  -0.00008   0.00005   3.32087
   R30        5.34865  -0.00003   0.00046  -0.00047  -0.00002   5.34863
   R31        2.67063  -0.00003   0.00002  -0.00002  -0.00000   2.67063
   R32        2.65265  -0.00001  -0.00001  -0.00002  -0.00003   2.65262
   R33        2.61754   0.00005   0.00007   0.00007   0.00013   2.61767
   R34        2.64941  -0.00002  -0.00003  -0.00003  -0.00005   2.64936
   R35        2.62553   0.00001   0.00001   0.00002   0.00002   2.62556
   R36        2.03797  -0.00001   0.00000  -0.00001  -0.00001   2.03796
   R37        2.65809  -0.00001  -0.00001  -0.00001  -0.00002   2.65807
   R38        2.05125   0.00000  -0.00001   0.00000  -0.00000   2.05125
   R39        2.63428   0.00001   0.00002   0.00002   0.00004   2.63432
   R40        2.80138  -0.00001  -0.00003  -0.00000  -0.00003   2.80135
   R41        2.04949   0.00000  -0.00001   0.00000  -0.00000   2.04949
   R42        2.65586   0.00000   0.00001   0.00000   0.00001   2.65587
   R43        2.65569   0.00000   0.00001   0.00000   0.00002   2.65571
   R44        2.65545   0.00001  -0.00000  -0.00000  -0.00001   2.65545
   R45        2.65551   0.00001   0.00001  -0.00000   0.00000   2.65551
   R46        2.65543   0.00000   0.00000   0.00001   0.00001   2.65544
   R47        2.65555   0.00000   0.00001   0.00000   0.00001   2.65557
   R48        2.62908  -0.00001   0.00000  -0.00000   0.00000   2.62908
   R49        2.05131   0.00000  -0.00000   0.00000   0.00000   2.05131
   R50        2.64724   0.00001  -0.00001   0.00001  -0.00000   2.64724
   R51        2.05001   0.00000   0.00000  -0.00001  -0.00000   2.05001
   R52        2.64695   0.00000  -0.00000   0.00001   0.00001   2.64695
   R53        2.68000  -0.00001   0.00002  -0.00002   0.00000   2.68000
   R54        2.62937  -0.00001  -0.00000  -0.00000  -0.00000   2.62937
   R55        2.05000   0.00000   0.00000  -0.00000  -0.00000   2.04999
   R56        2.05148   0.00000  -0.00000   0.00000   0.00000   2.05148
   R57        2.62922  -0.00000   0.00000  -0.00000   0.00000   2.62922
   R58        2.05124  -0.00000   0.00000  -0.00000  -0.00000   2.05124
   R59        2.64699  -0.00000  -0.00001  -0.00000  -0.00001   2.64698
   R60        2.05000   0.00000   0.00000  -0.00000   0.00000   2.05000
   R61        2.64698   0.00000   0.00000  -0.00000  -0.00000   2.64697
   R62        2.68018  -0.00000   0.00002   0.00000   0.00002   2.68021
   R63        2.62919  -0.00000  -0.00001  -0.00000  -0.00001   2.62918
   R64        2.05002   0.00000   0.00000  -0.00000   0.00000   2.05003
   R65        2.05144   0.00000  -0.00000   0.00000  -0.00000   2.05143
   R66        2.62963  -0.00000   0.00000   0.00000   0.00000   2.62964
   R67        2.05154   0.00000  -0.00000   0.00000  -0.00000   2.05153
   R68        2.64648  -0.00000  -0.00001  -0.00000  -0.00001   2.64647
   R69        2.05015   0.00000   0.00000  -0.00000   0.00000   2.05015
   R70        2.64674  -0.00000   0.00000  -0.00000  -0.00000   2.64674
   R71        2.68132   0.00000   0.00002   0.00000   0.00002   2.68134
   R72        2.62931  -0.00000  -0.00001  -0.00000  -0.00001   2.62930
   R73        2.05012   0.00000   0.00000  -0.00000   0.00000   2.05012
   R74        2.05137  -0.00000  -0.00000   0.00000  -0.00000   2.05137
   R75        2.64741   0.00000  -0.00002  -0.00001  -0.00003   2.64738
   R76        2.64742  -0.00000  -0.00002  -0.00001  -0.00003   2.64739
   R77        2.64742   0.00001  -0.00003   0.00002  -0.00001   2.64742
   R78        2.64752   0.00001  -0.00002   0.00002   0.00000   2.64753
   R79        2.64687  -0.00000  -0.00002  -0.00001  -0.00003   2.64684
   R80        2.64650  -0.00000  -0.00002  -0.00000  -0.00003   2.64648
   R81        2.67973  -0.00000   0.00000  -0.00000   0.00000   2.67973
   R82        2.64106  -0.00000   0.00000   0.00000   0.00001   2.64106
   R83        2.73645   0.00000   0.00001  -0.00000   0.00001   2.73646
   R84        2.64487  -0.00000   0.00000  -0.00000  -0.00000   2.64487
   R85        2.67969  -0.00001   0.00000  -0.00000   0.00000   2.67970
   R86        2.64489  -0.00000   0.00000  -0.00000  -0.00000   2.64489
   R87        2.64103  -0.00000   0.00000   0.00000   0.00000   2.64104
   R88        2.67973  -0.00000   0.00001   0.00000   0.00001   2.67974
   R89        2.64112  -0.00001   0.00000  -0.00000  -0.00000   2.64112
   R90        2.73638   0.00001   0.00002   0.00000   0.00002   2.73639
   R91        2.64489   0.00000   0.00000   0.00000   0.00000   2.64489
   R92        2.67977  -0.00000   0.00001   0.00000   0.00001   2.67978
   R93        2.64487   0.00000   0.00000  -0.00000   0.00000   2.64487
   R94        2.64109  -0.00000   0.00000  -0.00000  -0.00000   2.64109
   R95        2.67990  -0.00000   0.00000   0.00000   0.00001   2.67990
   R96        2.64114  -0.00000  -0.00000  -0.00000  -0.00000   2.64114
   R97        2.73633   0.00001   0.00002  -0.00000   0.00001   2.73635
   R98        2.64499   0.00000   0.00000  -0.00000   0.00000   2.64499
   R99        2.68005  -0.00000   0.00001   0.00000   0.00001   2.68005
   R100       2.64492   0.00000   0.00000  -0.00000   0.00000   2.64492
   R101       2.64116  -0.00000   0.00000  -0.00000   0.00000   2.64116
   R102       2.62965   0.00000   0.00000  -0.00000  -0.00000   2.62965
   R103       2.05272  -0.00000   0.00000  -0.00000  -0.00000   2.05272
   R104       2.65532  -0.00000   0.00000  -0.00000  -0.00000   2.65531
   R105       2.05144  -0.00000  -0.00000  -0.00000  -0.00000   2.05144
   R106       2.63265   0.00000  -0.00000   0.00000  -0.00000   2.63265
   R107       2.05228  -0.00000   0.00000  -0.00000  -0.00000   2.05228
   R108       2.04891   0.00000   0.00000  -0.00000  -0.00000   2.04890
   R109       2.63266   0.00000  -0.00000   0.00000  -0.00000   2.63265
   R110       2.04892   0.00000   0.00000  -0.00001  -0.00000   2.04891
   R111       2.65531  -0.00000   0.00000  -0.00000   0.00000   2.65532
   R112       2.05231  -0.00000   0.00000  -0.00000  -0.00000   2.05231
   R113       2.62969   0.00000   0.00000  -0.00000  -0.00000   2.62969
   R114       2.05147  -0.00000  -0.00000  -0.00000  -0.00000   2.05147
   R115       2.05273  -0.00000   0.00000  -0.00000  -0.00000   2.05273
   R116       2.62967   0.00000   0.00000   0.00000   0.00000   2.62967
   R117       2.05275  -0.00000  -0.00000   0.00000  -0.00000   2.05275
   R118       2.65534  -0.00000   0.00000   0.00000   0.00000   2.65534
   R119       2.05148   0.00000  -0.00000   0.00000  -0.00000   2.05148
   R120       2.63264   0.00000  -0.00000  -0.00000  -0.00000   2.63264
   R121       2.05230  -0.00000   0.00000  -0.00000  -0.00000   2.05230
   R122       2.04889   0.00000   0.00000  -0.00000   0.00000   2.04890
   R123       2.63263   0.00000  -0.00000  -0.00000  -0.00000   2.63262
   R124       2.04890   0.00000   0.00000  -0.00000   0.00000   2.04891
   R125       2.65536  -0.00000   0.00000   0.00000   0.00000   2.65536
   R126       2.05229  -0.00000  -0.00000  -0.00000  -0.00000   2.05229
   R127       2.62966   0.00000   0.00000   0.00000   0.00000   2.62966
   R128       2.05147   0.00000  -0.00000   0.00000  -0.00000   2.05147
   R129       2.05274  -0.00000  -0.00000   0.00000  -0.00000   2.05274
   R130       2.62973   0.00000   0.00000  -0.00000  -0.00000   2.62973
   R131       2.05276  -0.00000  -0.00000  -0.00000  -0.00000   2.05276
   R132       2.65544  -0.00000   0.00000   0.00000   0.00000   2.65545
   R133       2.05150  -0.00000   0.00000  -0.00000  -0.00000   2.05150
   R134       2.63260  -0.00000  -0.00000  -0.00000  -0.00000   2.63260
   R135       2.05237  -0.00000   0.00000  -0.00000  -0.00000   2.05237
   R136       2.04898   0.00000   0.00000  -0.00000   0.00000   2.04898
   R137       2.63254   0.00000  -0.00000  -0.00000  -0.00000   2.63254
   R138       2.04895   0.00000   0.00000  -0.00000   0.00000   2.04895
   R139       2.65552  -0.00000   0.00000   0.00000   0.00000   2.65553
   R140       2.05230  -0.00000   0.00000  -0.00000  -0.00000   2.05230
   R141       2.62963   0.00000   0.00000  -0.00000   0.00000   2.62963
   R142       2.05149  -0.00000   0.00000  -0.00000  -0.00000   2.05149
   R143       2.05277  -0.00000   0.00000  -0.00000  -0.00000   2.05277
   R144       2.78539  -0.00001  -0.00000  -0.00000  -0.00001   2.78538
   R145       3.03092   0.00002  -0.00003   0.00003   0.00000   3.03093
   R146       3.04450  -0.00001  -0.00001  -0.00002  -0.00003   3.04447
   R147       2.76409  -0.00004  -0.00016  -0.00008  -0.00024   2.76385
   R148       2.75568  -0.00001   0.00000  -0.00001  -0.00001   2.75567
   R149       2.86302   0.00001   0.00000   0.00002   0.00002   2.86304
   R150       2.06511  -0.00001  -0.00001  -0.00000  -0.00001   2.06510
   R151       2.06417   0.00001   0.00004  -0.00000   0.00004   2.06421
   R152       2.06842  -0.00000  -0.00001   0.00000  -0.00001   2.06841
   R153       2.06678   0.00000   0.00001   0.00000   0.00001   2.06679
   R154       2.06656   0.00000   0.00000  -0.00000  -0.00000   2.06656
   R155       2.86355  -0.00000   0.00000  -0.00000   0.00000   2.86355
   R156       2.06923  -0.00000   0.00000  -0.00000   0.00000   2.06923
   R157       2.06733  -0.00000  -0.00000  -0.00000  -0.00000   2.06732
   R158       2.06626  -0.00000   0.00000  -0.00000  -0.00000   2.06626
   R159       2.06821  -0.00000   0.00000  -0.00000   0.00000   2.06822
   R160       2.06605   0.00000  -0.00000  -0.00000  -0.00000   2.06605
   R161       5.78180  -0.00002  -0.00909   0.00078  -0.00832   5.77348
   R162       6.28673   0.00004   0.00590   0.00261   0.00851   6.29524
    A1        2.06412  -0.00001  -0.00002  -0.00001  -0.00003   2.06409
    A2        2.10895   0.00000  -0.00000   0.00000   0.00000   2.10895
    A3        2.11011   0.00000   0.00002   0.00001   0.00003   2.11014
    A4        2.12753  -0.00001   0.00003  -0.00001   0.00002   2.12755
    A5        2.07046   0.00001  -0.00004   0.00003  -0.00001   2.07045
    A6        2.08447  -0.00000   0.00001  -0.00002  -0.00001   2.08446
    A7        2.07135   0.00001  -0.00000   0.00001   0.00001   2.07136
    A8        2.14616   0.00000  -0.00003   0.00003   0.00000   2.14616
    A9        2.06257  -0.00002   0.00002  -0.00005  -0.00003   2.06254
   A10        2.09067  -0.00000  -0.00004   0.00000  -0.00004   2.09064
   A11        2.09589  -0.00000   0.00006  -0.00003   0.00004   2.09592
   A12        2.09616   0.00000  -0.00002   0.00002  -0.00000   2.09616
   A13        2.10518  -0.00000   0.00003  -0.00001   0.00002   2.10520
   A14        2.06653   0.00001  -0.00001   0.00002   0.00001   2.06653
   A15        2.11140  -0.00000  -0.00002  -0.00001  -0.00003   2.11137
   A16        2.10601   0.00000  -0.00000   0.00001   0.00001   2.10602
   A17        2.08875   0.00000   0.00001   0.00000   0.00002   2.08877
   A18        2.08840  -0.00001  -0.00001  -0.00002  -0.00002   2.08838
   A19        2.09443  -0.00000  -0.00004  -0.00002  -0.00006   2.09436
   A20        2.10631  -0.00000   0.00006  -0.00000   0.00006   2.10636
   A21        2.07532   0.00001  -0.00004   0.00001  -0.00002   2.07530
   A22        2.07058   0.00001  -0.00000  -0.00001  -0.00001   2.07057
   A23        2.06851  -0.00000   0.00003  -0.00000   0.00003   2.06854
   A24        2.14003  -0.00001  -0.00004  -0.00000  -0.00004   2.13998
   A25        1.93189   0.00000   0.00014  -0.00019  -0.00004   1.93185
   A26        2.04701  -0.00002   0.00007  -0.00007  -0.00001   2.04700
   A27        1.87105  -0.00002  -0.00013   0.00003  -0.00010   1.87096
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   A267       1.91350   0.00000  -0.00001   0.00000  -0.00000   1.91350
   A268       1.93462   0.00000   0.00002  -0.00000   0.00002   1.93463
   A269       1.89199  -0.00000  -0.00000   0.00000   0.00000   1.89200
   A270       1.89328  -0.00000   0.00001  -0.00000   0.00000   1.89328
   A271       1.89225  -0.00000   0.00000   0.00000   0.00000   1.89225
   A272       1.90885   0.00002   0.00416   0.00040   0.00456   1.91342
   A273       1.64137  -0.00002  -0.00387  -0.00056  -0.00442   1.63695
   A274       1.72847  -0.00003   0.00056   0.00011   0.00066   1.72913
   A275       1.81390  -0.00003  -0.00000  -0.00016  -0.00016   1.81374
   A276       1.23287  -0.00000   0.00053   0.00005   0.00058   1.23345
   A277       1.33925  -0.00001   0.00012  -0.00016  -0.00004   1.33921
   A278       0.55667  -0.00000  -0.00024  -0.00020  -0.00045   0.55622
    D1        0.01072   0.00000  -0.00002   0.00001  -0.00000   0.01072
    D2        3.11098   0.00000   0.00000  -0.00000   0.00000   3.11099
    D3       -3.13075   0.00000  -0.00005   0.00002  -0.00004  -3.13078
    D4       -0.03048   0.00000  -0.00003   0.00000  -0.00003  -0.03051
    D5       -0.03065  -0.00000   0.00002  -0.00005  -0.00003  -0.03069
    D6        3.10462  -0.00000  -0.00003  -0.00005  -0.00007   3.10454
    D7        3.11081  -0.00000   0.00005  -0.00005  -0.00000   3.11081
    D8       -0.03710  -0.00000   0.00001  -0.00005  -0.00004  -0.03714
    D9        2.49332   0.00001  -0.00008   0.00020   0.00012   2.49344
   D10       -0.64905   0.00001  -0.00010   0.00021   0.00011  -0.64894
   D11       -0.64815   0.00001  -0.00011   0.00020   0.00009  -0.64806
   D12        2.49267   0.00001  -0.00014   0.00021   0.00007   2.49275
   D13        0.03366   0.00000   0.00000   0.00005   0.00005   0.03371
   D14       -3.02177  -0.00000   0.00020   0.00008   0.00028  -3.02148
   D15       -3.06628   0.00000  -0.00002   0.00006   0.00004  -3.06624
   D16        0.16148  -0.00000   0.00018   0.00010   0.00027   0.16175
   D17       -0.05868  -0.00000   0.00002  -0.00007  -0.00005  -0.05873
   D18        3.05021  -0.00001   0.00006  -0.00016  -0.00010   3.05011
   D19        3.00091   0.00000  -0.00017  -0.00010  -0.00027   3.00064
   D20       -0.17339  -0.00000  -0.00013  -0.00019  -0.00032  -0.17370
   D21       -2.91550   0.00001  -0.00057   0.00022  -0.00035  -2.91585
   D22        0.35549   0.00001  -0.00043   0.00035  -0.00008   0.35541
   D23        0.31185   0.00001  -0.00037   0.00025  -0.00012   0.31173
   D24       -2.70034   0.00001  -0.00024   0.00039   0.00015  -2.70019
   D25        0.03994   0.00000  -0.00002   0.00003   0.00002   0.03996
   D26       -3.11525   0.00000  -0.00004   0.00002  -0.00002  -3.11527
   D27       -3.06895   0.00001  -0.00006   0.00012   0.00006  -3.06889
   D28        0.05905   0.00001  -0.00008   0.00011   0.00002   0.05907
   D29       -0.38847  -0.00000   0.00051  -0.00016   0.00035  -0.38812
   D30        2.82591  -0.00000   0.00049  -0.00018   0.00031   2.82622
   D31        2.72032  -0.00001   0.00055  -0.00024   0.00031   2.72063
   D32       -0.34849  -0.00001   0.00053  -0.00027   0.00026  -0.34822
   D33        0.00553   0.00000  -0.00000   0.00003   0.00003   0.00555
   D34       -3.12975   0.00000   0.00004   0.00003   0.00007  -3.12968
   D35       -3.12212   0.00000   0.00002   0.00004   0.00006  -3.12205
   D36        0.02580   0.00000   0.00007   0.00004   0.00010   0.02590
   D37        0.13059  -0.00001   0.00043   0.00003   0.00046   0.13105
   D38       -2.91672  -0.00001   0.00054   0.00014   0.00068  -2.91604
   D39       -3.13812  -0.00001   0.00030  -0.00010   0.00020  -3.13792
   D40        0.09776  -0.00001   0.00041   0.00001   0.00042   0.09818
   D41        2.98625   0.00001  -0.00035  -0.00012  -0.00047   2.98578
   D42       -0.07293   0.00001  -0.00029  -0.00010  -0.00039  -0.07332
   D43       -0.02734   0.00001  -0.00022   0.00002  -0.00020  -0.02754
   D44       -3.08652   0.00001  -0.00015   0.00003  -0.00012  -3.08664
   D45       -0.65855   0.00000  -0.00009  -0.00031  -0.00040  -0.65896
   D46       -3.01118  -0.00000  -0.00055   0.00004  -0.00052  -3.01169
   D47        1.17963  -0.00002  -0.00023  -0.00007  -0.00030   1.17933
   D48        2.38467   0.00000  -0.00020  -0.00043  -0.00063   2.38404
   D49        0.03205  -0.00001  -0.00066  -0.00008  -0.00074   0.03131
   D50       -2.06033  -0.00002  -0.00033  -0.00019  -0.00053  -2.06085
   D51       -0.09413   0.00000  -0.00031  -0.00004  -0.00034  -0.09447
   D52        3.01996   0.00000  -0.00026   0.00001  -0.00025   3.01971
   D53       -3.13746   0.00001  -0.00020   0.00008  -0.00012  -3.13758
   D54       -0.02338   0.00000  -0.00015   0.00013  -0.00002  -0.02340
   D55        0.78068   0.00000  -0.00038   0.00037  -0.00002   0.78066
   D56       -2.43787  -0.00000  -0.00036   0.00039   0.00003  -2.43784
   D57       -3.13116  -0.00001   0.00002   0.00002   0.00004  -3.13112
   D58       -0.06652  -0.00001   0.00004   0.00004   0.00008  -0.06643
   D59       -1.16813   0.00002  -0.00023   0.00026   0.00004  -1.16810
   D60        1.89651   0.00002  -0.00021   0.00029   0.00008   1.89659
   D61        2.37579   0.00001   0.00082  -0.00025   0.00057   2.37636
   D62       -1.11839   0.00001   0.00037   0.00006   0.00042  -1.11796
   D63        0.05685   0.00001   0.00034   0.00018   0.00052   0.05737
   D64        2.84586   0.00001  -0.00010   0.00048   0.00038   2.84624
   D65        2.40792  -0.00001  -0.00073  -0.00032  -0.00105   2.40687
   D66        1.84612  -0.00001  -0.00060  -0.00015  -0.00074   1.84538
   D67       -1.87741  -0.00002  -0.00066  -0.00040  -0.00107  -1.87847
   D68       -2.43920  -0.00002  -0.00053  -0.00023  -0.00076  -2.43996
   D69        3.10382   0.00001  -0.00022  -0.00012  -0.00034   3.10349
   D70        0.04179   0.00001  -0.00025  -0.00014  -0.00039   0.04140
   D71       -0.04888  -0.00000  -0.00009  -0.00002  -0.00011  -0.04899
   D72        3.13221  -0.00000  -0.00008  -0.00001  -0.00008   3.13212
   D73        3.01079  -0.00000  -0.00015  -0.00004  -0.00019   3.01060
   D74       -0.09131  -0.00000  -0.00014  -0.00002  -0.00016  -0.09147
   D75        0.05425  -0.00000   0.00020  -0.00000   0.00020   0.05445
   D76       -3.10910  -0.00000   0.00017   0.00000   0.00017  -3.10893
   D77       -3.12709  -0.00000   0.00019  -0.00002   0.00017  -3.12692
   D78       -0.00725  -0.00000   0.00016  -0.00002   0.00014  -0.00711
   D79        2.47914  -0.00000  -0.00010  -0.00014  -0.00024   2.47890
   D80       -0.66384  -0.00000  -0.00014  -0.00013  -0.00028  -0.66411
   D81       -0.62144  -0.00000  -0.00009  -0.00012  -0.00021  -0.62165
   D82        2.51877  -0.00000  -0.00013  -0.00011  -0.00025   2.51852
   D83        0.01724   0.00000  -0.00000   0.00003   0.00003   0.01727
   D84       -3.09743   0.00000  -0.00005  -0.00001  -0.00006  -3.09749
   D85       -3.10277   0.00000   0.00003   0.00003   0.00006  -3.10271
   D86        0.06575   0.00000  -0.00002  -0.00002  -0.00003   0.06571
   D87       -0.02972  -0.00000  -0.00052  -0.00029  -0.00081  -0.03053
   D88       -3.12705  -0.00000  -0.00042  -0.00031  -0.00074  -3.12778
   D89       -2.81377  -0.00001  -0.00008  -0.00059  -0.00067  -2.81445
   D90        0.37208  -0.00001   0.00002  -0.00062  -0.00060   0.37148
   D91       -0.92625  -0.00001  -0.00067  -0.00020  -0.00087  -0.92712
   D92        2.25960  -0.00001  -0.00057  -0.00023  -0.00080   2.25881
   D93        0.13917  -0.00001   0.00042  -0.00021   0.00021   0.13938
   D94       -2.13100  -0.00000   0.00034  -0.00013   0.00021  -2.13080
   D95        2.32333  -0.00001   0.00041  -0.00014   0.00027   2.32360
   D96        2.92789   0.00000  -0.00003   0.00009   0.00006   2.92795
   D97        0.65771   0.00001  -0.00011   0.00017   0.00007   0.65778
   D98       -1.17114   0.00001  -0.00004   0.00017   0.00013  -1.17101
   D99        0.75746  -0.00001   0.00064  -0.00024   0.00040   0.75786
   D100      -1.51271   0.00000   0.00056  -0.00016   0.00040  -1.51232
   D101       2.94162  -0.00000   0.00062  -0.00016   0.00046   2.94208
   D102      -1.13431   0.00001  -0.00029  -0.00047  -0.00076  -1.13507
   D103      -1.70461   0.00001  -0.00005  -0.00031  -0.00036  -1.70497
   D104       1.03248  -0.00000  -0.00063  -0.00025  -0.00088   1.03159
   D105       0.46218   0.00000  -0.00040  -0.00009  -0.00048   0.46170
   D106       0.00224   0.00000   0.00034   0.00019   0.00053   0.00277
   D107      -3.11792   0.00000   0.00020   0.00010   0.00029  -3.11763
   D108       3.10205   0.00000   0.00024   0.00022   0.00046   3.10251
   D109      -0.01811   0.00000   0.00010   0.00012   0.00023  -0.01789
   D110       3.11998  -0.00000  -0.00019  -0.00008  -0.00027   3.11971
   D111      -0.01905  -0.00000  -0.00015  -0.00013  -0.00028  -0.01932
   D112       0.02201  -0.00000  -0.00009  -0.00011  -0.00020   0.02182
   D113      -3.11701  -0.00000  -0.00005  -0.00015  -0.00020  -3.11722
   D114      -0.00821  -0.00000   0.00005   0.00002   0.00007  -0.00814
   D115       3.11268  -0.00000   0.00019   0.00012   0.00030   3.11299
   D116       0.00141  -0.00000  -0.00004  -0.00005  -0.00009   0.00131
   D117       3.11442  -0.00000  -0.00004  -0.00002  -0.00006   3.11436
   D118      -3.11995  -0.00000  -0.00018  -0.00014  -0.00032  -3.12027
   D119      -0.00693  -0.00000  -0.00018  -0.00011  -0.00029  -0.00722
   D120      -0.00943  -0.00000   0.00001   0.00002   0.00003  -0.00940
   D121       3.11135  -0.00000  -0.00002  -0.00002  -0.00004   3.11131
   D122       3.12965  -0.00000  -0.00002   0.00006   0.00004   3.12969
   D123      -0.03275  -0.00000  -0.00005   0.00002  -0.00003  -0.03278
   D124      -0.00756   0.00000   0.00005   0.00006   0.00011  -0.00745
   D125       3.13968   0.00000   0.00003   0.00003   0.00006   3.13974
   D126      -3.12807   0.00000   0.00008   0.00010   0.00018  -3.12789
   D127       0.01917   0.00000   0.00006   0.00007   0.00013   0.01930
   D128       0.01146  -0.00000  -0.00003  -0.00005  -0.00008   0.01138
   D129      -3.10012   0.00000  -0.00003  -0.00008  -0.00011  -3.10023
   D130      -3.13577  -0.00000  -0.00001  -0.00002  -0.00003  -3.13580
   D131       0.03583   0.00000  -0.00001  -0.00005  -0.00006   0.03577
   D132       0.61645  -0.00000  -0.00019  -0.00013  -0.00032   0.61612
   D133      -2.52561  -0.00000  -0.00018  -0.00014  -0.00032  -2.52593
   D134      -2.51924  -0.00000  -0.00021  -0.00016  -0.00037  -2.51961
   D135       0.62189  -0.00000  -0.00020  -0.00017  -0.00036   0.62152
   D136      -3.13270  -0.00000  -0.00002   0.00001  -0.00002  -3.13272
   D137      -0.03705  -0.00000  -0.00002  -0.00001  -0.00003  -0.03708
   D138       0.00964  -0.00000   0.00000  -0.00000  -0.00000   0.00963
   D139       3.10529  -0.00000   0.00000  -0.00002  -0.00002   3.10527
   D140      -3.13460   0.00000   0.00002  -0.00001   0.00001  -3.13459
   D141      -0.03880  -0.00000   0.00001  -0.00002  -0.00001  -0.03881
   D142       0.00624   0.00000  -0.00000  -0.00000  -0.00001   0.00623
   D143       3.10204  -0.00000  -0.00001  -0.00001  -0.00003   3.10202
   D144      -3.13403   0.00000  -0.00005  -0.00000  -0.00005  -3.13408
   D145      -0.03780   0.00000  -0.00005   0.00001  -0.00005  -0.03785
   D146       0.00890   0.00000  -0.00001  -0.00000  -0.00001   0.00889
   D147       3.10513   0.00000  -0.00001   0.00000  -0.00001   3.10512
   D148      -3.13307  -0.00000   0.00004   0.00000   0.00004  -3.13302
   D149      -0.03837  -0.00000   0.00004  -0.00000   0.00004  -0.03834
   D150       0.00719  -0.00000   0.00001   0.00000   0.00001   0.00720
   D151       3.10188  -0.00000   0.00000   0.00000   0.00000   3.10189
   D152       3.13398  -0.00000   0.00001   0.00000   0.00001   3.13400
   D153       0.03698   0.00000   0.00004   0.00001   0.00005   0.03702
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   D155      -3.10417   0.00000   0.00003   0.00001   0.00004  -3.10412
   D156       3.13564   0.00000  -0.00001   0.00000  -0.00000   3.13564
   D157       0.03524   0.00000   0.00002   0.00002   0.00003   0.03527
   D158      -0.00640  -0.00000   0.00001  -0.00000   0.00001  -0.00639
   D159      -3.10680   0.00000   0.00003   0.00001   0.00004  -3.10676
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   D163       0.00550  -0.00000   0.00003  -0.00003  -0.00000   0.00549
   D164       0.00759   0.00000   0.00000   0.00000   0.00001   0.00760
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   D171       0.03221   0.00000  -0.00002   0.00003   0.00001   0.03222
   D172       0.94152  -0.00001   0.00011  -0.00034  -0.00024   0.94128
   D173      -2.19776  -0.00001   0.00033  -0.00042  -0.00008  -2.19785
   D174      -2.20005  -0.00001   0.00010  -0.00034  -0.00024  -2.20029
   D175       0.94385  -0.00001   0.00033  -0.00042  -0.00009   0.94376
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   D179       0.00679  -0.00000   0.00002  -0.00003  -0.00001   0.00678
   D180      -0.01657  -0.00000   0.00000   0.00001   0.00001  -0.01656
   D181       3.10137   0.00000   0.00004   0.00001   0.00005   3.10143
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   D183       0.00556   0.00000   0.00004   0.00003   0.00007   0.00563
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   D193       0.94282   0.00000   0.00036   0.00014   0.00050   0.94332
   D194       0.94099   0.00000   0.00037   0.00011   0.00048   0.94147
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   D198       3.10215   0.00000   0.00003   0.00002   0.00006   3.10220
   D199       0.00616   0.00000   0.00004   0.00003   0.00008   0.00624
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   D433       3.12626   0.00000  -0.00040   0.00007  -0.00033   3.12593
   D434      -1.06728   0.00000  -0.00042   0.00008  -0.00034  -1.06762
   D435       1.02112   0.00000  -0.00041   0.00008  -0.00033   1.02079
   D436      -1.36294   0.00002   0.00157   0.00072   0.00229  -1.36065
   D437      -1.26013   0.00001   0.00123   0.00056   0.00180  -1.25833
   D438       0.41517   0.00001   0.00071   0.00027   0.00099   0.41617
   D439       1.08675  -0.00001   0.00104   0.00021   0.00125   1.08800
   D440       0.91017   0.00000   0.00083   0.00013   0.00096   0.91113
   D441      -0.39157   0.00000   0.00006  -0.00018  -0.00013  -0.39170
         Item               Value     Threshold  Converged?
 Maximum Force            0.000134     0.000450     YES
 RMS     Force            0.000008     0.000300     YES
 Maximum Displacement     0.011892     0.001800     NO 
 RMS     Displacement     0.002178     0.001200     NO 
 Predicted change in Energy=-2.228370D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.833289    2.897425    0.557541
      2          6           0       -2.066066    1.522048    0.686027
      3          6           0       -1.017732    0.594691    0.725341
      4          6           0        0.308908    1.070302    0.673874
      5          6           0        0.551056    2.440495    0.514214
      6          6           0       -0.501322    3.341258    0.453389
      7          6           0       -1.235880   -0.865736    0.711512
      8          6           0       -0.169401   -1.744600    1.026716
      9          6           0        1.120735   -1.159816    1.536044
     10          6           0        1.434670    0.134885    0.828961
     11          6           0       -2.439350   -1.403628    0.241786
     12          6           0       -2.619502   -2.778116    0.040347
     13          6           0       -1.521122   -3.618657    0.269500
     14          6           0       -0.319980   -3.106268    0.743196
     15          7           0        2.230073   -2.051832    1.690009
     16          6           0        3.524083   -1.642298    1.247364
     17          6           0        3.672872   -0.378499    0.632624
     18          7           0        2.609792    0.488879    0.442014
     19          6           0        4.663349   -2.456643    1.343867
     20          6           0        5.895178   -2.018496    0.873741
     21          6           0        6.062218   -0.757222    0.273930
     22          6           0        4.924850    0.040897    0.161231
     23          6           0       -2.961012    3.860069    0.532109
     24          6           0       -3.913495   -3.311970   -0.447400
     25          6           0        7.383061   -0.301492   -0.221271
     26          6           0       -3.964842   -4.381551   -1.357318
     27          6           0       -5.178918   -4.877082   -1.822122
     28          6           0       -6.384856   -4.324981   -1.371230
     29          6           0       -6.350789   -3.264902   -0.456325
     30          6           0       -5.131554   -2.763389   -0.011415
     31          6           0       -2.853494    5.117437    1.150721
     32          6           0       -3.910984    6.021528    1.139893
     33          6           0       -5.107978    5.698588    0.488026
     34          6           0       -5.227551    4.453530   -0.142487
     35          6           0       -4.171360    3.548458   -0.110494
     36          6           0        8.295035   -1.202522   -0.796620
     37          6           0        9.532067   -0.776470   -1.270566
     38          6           0        9.900864    0.570517   -1.166266
     39          6           0        9.006424    1.480117   -0.588102
     40          6           0        7.765279    1.047807   -0.131410
     41          7           0       -6.185292    6.620802    0.465579
     42          7           0       -7.624759   -4.833291   -1.835494
     43          7           0       11.164640    1.008036   -1.640323
     44          6           0       -8.031861   -6.172902   -1.786741
     45          6           0       -9.329789   -6.280370   -2.347732
     46          6           0       -9.723347   -4.947815   -2.755553
     47          6           0       -8.650540   -4.081905   -2.423731
     48          6           0       -7.498797    6.357399    0.875385
     49          6           0       -8.279755    7.527773    0.698708
     50          6           0       -7.400295    8.542168    0.156158
     51          6           0       -6.118420    7.949656    0.027063
     52          6           0       11.382342    2.042421   -2.559275
     53          6           0       12.776834    2.177563   -2.778961
     54          6           0       13.430476    1.182559   -1.954668
     55          6           0       12.407280    0.479868   -1.268627
     56          6           0      -10.865787   -4.425771   -3.372984
     57          6           0      -10.921880   -3.064325   -3.655357
     58          6           0       -9.843555   -2.222969   -3.333284
     59          6           0       -8.695184   -2.716382   -2.717965
     60          6           0       -7.368945   -7.284291   -1.258899
     61          6           0       -8.017952   -8.515508   -1.320007
     62          6           0       -9.297652   -8.642495   -1.886256
     63          6           0       -9.958854   -7.529663   -2.397026
     64          6           0       -7.588178    9.872561   -0.235828
     65          6           0       -6.510811   10.585979   -0.752315
     66          6           0       -5.250865    9.978747   -0.887389
     67          6           0       -5.036261    8.656589   -0.504429
     68          6           0       -8.042712    5.190629    1.419584
     69          6           0       -9.391869    5.204885    1.766524
     70          6           0      -10.183851    6.351132    1.583895
     71          6           0       -9.633143    7.514593    1.055208
     72          6           0       14.769618    0.840885   -1.733461
     73          6           0       15.069942   -0.180104   -0.836851
     74          6           0       14.044321   -0.856324   -0.154635
     75          6           0       12.703441   -0.536904   -0.356561
     76          6           0       10.454661    2.840099   -3.234914
     77          6           0       10.945796    3.794172   -4.123283
     78          6           0       12.324987    3.951375   -4.341982
     79          6           0       13.243263    3.144772   -3.676746
     80          8           0        0.757554   -3.515339    3.474765
     81         15           0        2.090566   -3.348002    2.868436
     82          8           0        3.311997   -3.143342    3.887607
     83          8           0        2.625525   -4.572669    1.968691
     84          6           0        3.150201   -2.365696    5.115694
     85          6           0        4.221874   -2.816414    6.087170
     86          6           0        2.621187   -5.909164    2.551981
     87          6           0        2.953564   -6.895977    1.451099
     88          1           0       -3.087717    1.176128    0.795642
     89          1           0        1.579088    2.778695    0.452619
     90          1           0       -0.296181    4.398416    0.318227
     91          1           0       -3.237983   -0.731100   -0.048587
     92          1           0       -1.609207   -4.686119    0.096036
     93          1           0        0.511484   -3.784834    0.865422
     94          1           0        4.601352   -3.439479    1.783448
     95          1           0        6.753436   -2.671714    0.996008
     96          1           0        4.958760    1.010999   -0.322485
     97          1           0       -3.040998   -4.804673   -1.739160
     98          1           0       -5.199598   -5.679001   -2.552413
     99          1           0       -7.281903   -2.853787   -0.081059
    100          1           0       -5.124119   -1.960951    0.719720
    101          1           0       -1.943861    5.374408    1.684363
    102          1           0       -3.823331    6.972560    1.654361
    103          1           0       -6.141293    4.210502   -0.674336
    104          1           0       -4.272713    2.600270   -0.629274
    105          1           0        8.016781   -2.245419   -0.912909
    106          1           0       10.209275   -1.479862   -1.743448
    107          1           0        9.297905    2.519478   -0.479833
    108          1           0        7.096257    1.762602    0.337496
    109          1           0      -11.695496   -5.077224   -3.632099
    110          1           0      -11.803124   -2.647211   -4.132742
    111          1           0       -9.902241   -1.164794   -3.570475
    112          1           0       -7.863525   -2.061789   -2.482566
    113          1           0       -6.386189   -7.193518   -0.809984
    114          1           0       -7.522383   -9.393932   -0.917200
    115          1           0       -9.774688   -9.617084   -1.919785
    116          1           0      -10.952713   -7.626931   -2.824503
    117          1           0       -8.564473   10.339458   -0.141850
    118          1           0       -6.643593   11.618986   -1.058553
    119          1           0       -4.424622   10.548904   -1.301764
    120          1           0       -4.063284    8.192861   -0.622007
    121          1           0       -7.436369    4.305242    1.574512
    122          1           0       -9.837350    4.309670    2.190301
    123          1           0      -11.232661    6.328010    1.863119
    124          1           0      -10.243467    8.403665    0.924715
    125          1           0       15.563702    1.370104   -2.252453
    126          1           0       16.104774   -0.455083   -0.657816
    127          1           0       14.299330   -1.643852    0.548440
    128          1           0       11.918660   -1.056727    0.181542
    129          1           0        9.388452    2.718625   -3.079803
    130          1           0       10.244372    4.426851   -4.659182
    131          1           0       12.674416    4.706045   -5.039764
    132          1           0       14.308706    3.260004   -3.854373
    133          1           0        3.250997   -1.308870    4.856502
    134          1           0        2.142723   -2.532801    5.503322
    135          1           0        4.145749   -2.233325    7.010351
    136          1           0        4.104226   -3.874513    6.337694
    137          1           0        5.220137   -2.665821    5.666815
    138          1           0        3.364867   -5.936389    3.355227
    139          1           0        1.633055   -6.097859    2.981845
    140          1           0        3.936342   -6.685774    1.020368
    141          1           0        2.965034   -7.911616    1.858742
    142          1           0        2.208627   -6.852880    0.652022
    143         17           0        0.735787   -0.364367    3.401905
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177771           0.0074048           0.0058214
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13524.4683191870 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.75D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000003   -0.000006    0.000042 Ang=   0.00 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -4306.68069222     A.U. after    7 cycles
            NFock=  7  Conv=0.54D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000014349    0.000001051    0.000000307
      2        6           0.000000288   -0.000008001    0.000013095
      3        6          -0.000004827    0.000014885   -0.000002418
      4        6          -0.000033270    0.000004528   -0.000028438
      5        6           0.000010576   -0.000003509    0.000016339
      6        6          -0.000009381   -0.000005072    0.000006877
      7        6           0.000006818   -0.000009185   -0.000006877
      8        6           0.000032966    0.000059704    0.000052502
      9        6           0.000116395   -0.000066187   -0.000051076
     10        6           0.000010106   -0.000086848    0.000044153
     11        6           0.000009970    0.000012713   -0.000006977
     12        6          -0.000027996   -0.000022796   -0.000011422
     13        6           0.000011071    0.000006435   -0.000004870
     14        6           0.000000074   -0.000012347    0.000006025
     15        7          -0.000175112    0.000075566    0.000042403
     16        6           0.000034340    0.000019311   -0.000016787
     17        6           0.000020282   -0.000036448    0.000003219
     18        7          -0.000006920    0.000031487   -0.000010787
     19        6          -0.000000562   -0.000001016    0.000002991
     20        6          -0.000001642    0.000001603   -0.000004000
     21        6           0.000004071   -0.000000461   -0.000002331
     22        6          -0.000005588    0.000000934    0.000000909
     23        6          -0.000015120    0.000006873   -0.000000077
     24        6           0.000023222    0.000018868    0.000010844
     25        6          -0.000001488    0.000003469    0.000002563
     26        6          -0.000007093   -0.000010051   -0.000010014
     27        6           0.000015272   -0.000003579    0.000010393
     28        6          -0.000017994   -0.000008005    0.000000430
     29        6           0.000002499    0.000014669   -0.000003957
     30        6          -0.000011541   -0.000005114   -0.000002115
     31        6           0.000005218    0.000004096   -0.000006666
     32        6           0.000001435   -0.000001704    0.000000297
     33        6           0.000002697   -0.000000607   -0.000001084
     34        6           0.000002465   -0.000001673   -0.000001588
     35        6          -0.000000494   -0.000002874    0.000008302
     36        6           0.000006303   -0.000000232   -0.000002112
     37        6          -0.000002773   -0.000005527    0.000000729
     38        6          -0.000006702   -0.000001023    0.000003729
     39        6          -0.000001594   -0.000001627   -0.000000863
     40        6          -0.000000398    0.000003892   -0.000001966
     41        7           0.000009009   -0.000001729    0.000001664
     42        7           0.000035159    0.000022570    0.000002425
     43        7          -0.000005433   -0.000004039   -0.000001310
     44        6           0.000006030   -0.000027737   -0.000023149
     45        6           0.000007474    0.000004396   -0.000004290
     46        6           0.000000983    0.000003023    0.000010722
     47        6          -0.000038679    0.000003736    0.000016944
     48        6          -0.000018132   -0.000006974    0.000001480
     49        6           0.000004910    0.000000559   -0.000003796
     50        6           0.000002755   -0.000002712    0.000004753
     51        6          -0.000004043    0.000013675   -0.000001576
     52        6           0.000000075    0.000015009   -0.000003966
     53        6          -0.000000578   -0.000001356    0.000004887
     54        6          -0.000005447   -0.000001146   -0.000002604
     55        6           0.000017315   -0.000002200    0.000000809
     56        6           0.000002509   -0.000006238   -0.000000547
     57        6           0.000005203    0.000008089   -0.000001567
     58        6          -0.000005187   -0.000002368   -0.000001432
     59        6           0.000006958   -0.000002890   -0.000006178
     60        6          -0.000004727    0.000004256    0.000004853
     61        6          -0.000003190   -0.000004143   -0.000002746
     62        6           0.000006939    0.000000445    0.000007494
     63        6          -0.000004951    0.000003821   -0.000001091
     64        6          -0.000003125   -0.000003369    0.000000331
     65        6           0.000007576   -0.000000608   -0.000003294
     66        6          -0.000002301    0.000003036    0.000000996
     67        6          -0.000000380   -0.000005471   -0.000002438
     68        6           0.000004381    0.000003677    0.000000773
     69        6          -0.000004133   -0.000000494   -0.000000727
     70        6           0.000005801   -0.000005645    0.000003772
     71        6           0.000000216    0.000003729   -0.000002677
     72        6          -0.000000795    0.000002530   -0.000003079
     73        6          -0.000003804   -0.000004633    0.000005604
     74        6           0.000003400    0.000000204   -0.000001320
     75        6          -0.000003589    0.000002839    0.000000119
     76        6           0.000001504   -0.000005245   -0.000000464
     77        6           0.000001829    0.000003656   -0.000001281
     78        6          -0.000007322   -0.000003835   -0.000002235
     79        6           0.000003140   -0.000001086    0.000002141
     80        8          -0.000000184    0.000011501   -0.000005112
     81       15           0.000021345   -0.000024292   -0.000018594
     82        8           0.000017504    0.000015434   -0.000003163
     83        8          -0.000052431   -0.000024842   -0.000016742
     84        6          -0.000000018    0.000012466   -0.000014797
     85        6          -0.000000429    0.000002001    0.000002538
     86        6           0.000024213    0.000014395    0.000005837
     87        6           0.000007369    0.000004391    0.000004760
     88        1           0.000001391   -0.000007723   -0.000001874
     89        1          -0.000001947    0.000001856   -0.000006189
     90        1           0.000002635    0.000000227   -0.000000539
     91        1           0.000000815    0.000007857   -0.000005765
     92        1          -0.000000842   -0.000003729    0.000008951
     93        1          -0.000000479   -0.000005432   -0.000000906
     94        1           0.000005815    0.000007598   -0.000004273
     95        1           0.000000548   -0.000001222    0.000003505
     96        1          -0.000001602    0.000000120   -0.000001055
     97        1           0.000001546    0.000000259    0.000002740
     98        1          -0.000002178   -0.000000455   -0.000002360
     99        1          -0.000001747   -0.000002157    0.000000591
    100        1           0.000001611    0.000000921    0.000000367
    101        1          -0.000002070   -0.000000845    0.000002073
    102        1          -0.000002721    0.000002099    0.000000042
    103        1          -0.000003826   -0.000000370    0.000000893
    104        1          -0.000000664    0.000000427   -0.000001330
    105        1          -0.000001033   -0.000000713    0.000000528
    106        1           0.000003451    0.000001673   -0.000000227
    107        1           0.000002278    0.000002433   -0.000001299
    108        1          -0.000000163   -0.000000845    0.000000467
    109        1          -0.000000311    0.000001525   -0.000001143
    110        1          -0.000001468   -0.000001962    0.000002217
    111        1           0.000001013   -0.000000380   -0.000000541
    112        1           0.000001355    0.000000278    0.000000734
    113        1           0.000000995    0.000001007   -0.000000013
    114        1          -0.000000481    0.000000623    0.000000868
    115        1          -0.000000533    0.000000293   -0.000002697
    116        1           0.000000632   -0.000001472    0.000001372
    117        1           0.000000622    0.000002014   -0.000000955
    118        1          -0.000001696   -0.000000049    0.000001377
    119        1          -0.000000962   -0.000000386   -0.000001000
    120        1           0.000001431   -0.000002259    0.000003455
    121        1           0.000003295    0.000000995   -0.000002512
    122        1          -0.000000459    0.000000805    0.000000715
    123        1          -0.000001234    0.000001052   -0.000001912
    124        1          -0.000001159   -0.000001625    0.000002250
    125        1           0.000001300   -0.000000549    0.000001872
    126        1           0.000000509    0.000000834   -0.000002164
    127        1           0.000000018    0.000001190    0.000000197
    128        1          -0.000002966   -0.000001149   -0.000002080
    129        1          -0.000000841   -0.000001427    0.000003541
    130        1           0.000000764   -0.000000412   -0.000000595
    131        1           0.000001589    0.000000978    0.000001556
    132        1          -0.000001302    0.000000716   -0.000002347
    133        1          -0.000026467   -0.000017311    0.000003605
    134        1           0.000027866   -0.000035015    0.000033089
    135        1           0.000003598   -0.000000646    0.000001800
    136        1          -0.000001650    0.000000189   -0.000001347
    137        1          -0.000000054    0.000000486   -0.000000153
    138        1          -0.000008420   -0.000003299    0.000007826
    139        1          -0.000002524   -0.000002669   -0.000008631
    140        1           0.000000292   -0.000000439   -0.000000127
    141        1          -0.000000466   -0.000000125   -0.000000499
    142        1           0.000000645    0.000000199   -0.000000802
    143       17          -0.000028392    0.000053431   -0.000033703
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000175112 RMS     0.000016273

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000122537 RMS     0.000007511
 Search for a local minimum.
 Step number  35 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   20   21   22   23   24
                                                     25   26   27   28   29
                                                     30   31   32   33   34
                                                     35
 DE= -6.64D-07 DEPred=-2.23D-07 R= 2.98D+00
 Trust test= 2.98D+00 RLast= 1.81D-02 DXMaxT set to 6.22D-01
 ITU=  0  0  0  0  0  0  1  0  1 -1  1  1  1  1  1  1 -1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00062   0.00143   0.00367   0.00418   0.00422
     Eigenvalues ---    0.00691   0.00733   0.00791   0.01572   0.01759
     Eigenvalues ---    0.02128   0.02271   0.02506   0.02599   0.02630
     Eigenvalues ---    0.02678   0.02698   0.02705   0.02708   0.02711
     Eigenvalues ---    0.02714   0.02725   0.02726   0.02729   0.02735
     Eigenvalues ---    0.02743   0.02755   0.02758   0.02769   0.02771
     Eigenvalues ---    0.02774   0.02776   0.02778   0.02780   0.02785
     Eigenvalues ---    0.02786   0.02789   0.02790   0.02791   0.02791
     Eigenvalues ---    0.02792   0.02792   0.02793   0.02793   0.02795
     Eigenvalues ---    0.02798   0.02801   0.02802   0.02803   0.02803
     Eigenvalues ---    0.02805   0.02806   0.02807   0.02808   0.02808
     Eigenvalues ---    0.02809   0.02810   0.02811   0.02813   0.02817
     Eigenvalues ---    0.02817   0.02818   0.02818   0.02818   0.02819
     Eigenvalues ---    0.02820   0.02822   0.02829   0.02831   0.02844
     Eigenvalues ---    0.02844   0.02845   0.02845   0.02846   0.02847
     Eigenvalues ---    0.02847   0.02851   0.02856   0.02862   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02871   0.02872   0.02872
     Eigenvalues ---    0.02873   0.02876   0.02877   0.02878   0.02878
     Eigenvalues ---    0.02879   0.02881   0.02882   0.02884   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02886   0.02886
     Eigenvalues ---    0.02887   0.02891   0.02892   0.02894   0.02896
     Eigenvalues ---    0.02897   0.02898   0.02899   0.02899   0.02899
     Eigenvalues ---    0.02903   0.02908   0.02910   0.02914   0.02938
     Eigenvalues ---    0.02942   0.02951   0.03024   0.03025   0.03025
     Eigenvalues ---    0.03074   0.03120   0.03133   0.03134   0.03142
     Eigenvalues ---    0.03151   0.03176   0.03237   0.03319   0.03412
     Eigenvalues ---    0.03962   0.04108   0.04722   0.05377   0.05563
     Eigenvalues ---    0.05579   0.05618   0.05726   0.05746   0.05985
     Eigenvalues ---    0.07449   0.08555   0.09398   0.10506   0.11037
     Eigenvalues ---    0.11432   0.12079   0.12610   0.13663   0.15236
     Eigenvalues ---    0.15612   0.15817   0.15900   0.15939   0.15966
     Eigenvalues ---    0.15973   0.15983   0.15986   0.15987   0.15987
     Eigenvalues ---    0.15989   0.15992   0.15996   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15998   0.15998   0.15998
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16002   0.16003   0.16004
     Eigenvalues ---    0.16011   0.16018   0.16038   0.16100   0.16130
     Eigenvalues ---    0.16255   0.16783   0.17340   0.18766   0.19889
     Eigenvalues ---    0.20943   0.21998   0.22000   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22001   0.22001   0.22003   0.22004
     Eigenvalues ---    0.22019   0.22378   0.22422   0.22507   0.22600
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22604   0.22695
     Eigenvalues ---    0.22947   0.22966   0.22994   0.23149   0.23271
     Eigenvalues ---    0.23448   0.23515   0.23727   0.23971   0.24001
     Eigenvalues ---    0.24198   0.24469   0.24486   0.24489   0.24490
     Eigenvalues ---    0.24502   0.24534   0.24738   0.24898   0.24981
     Eigenvalues ---    0.24985   0.24985   0.24985   0.24987   0.24987
     Eigenvalues ---    0.24993   0.24996   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25002   0.25004   0.25009   0.25021   0.25039
     Eigenvalues ---    0.25094   0.25110   0.25436   0.26464   0.27889
     Eigenvalues ---    0.28351   0.29045   0.29786   0.29792   0.30125
     Eigenvalues ---    0.32017   0.32099   0.32129   0.32142   0.32148
     Eigenvalues ---    0.32171   0.32186   0.32220   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33297   0.33319
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33458   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33634   0.33639
     Eigenvalues ---    0.33640   0.33643   0.33649   0.33663   0.33702
     Eigenvalues ---    0.33722   0.33744   0.33820   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33921   0.33940
     Eigenvalues ---    0.33947   0.33955   0.33960   0.34461   0.34525
     Eigenvalues ---    0.34854   0.34920   0.35056   0.37902   0.40964
     Eigenvalues ---    0.41777   0.42060   0.44429   0.44433   0.44439
     Eigenvalues ---    0.44455   0.45467   0.46796   0.48733   0.48922
     Eigenvalues ---    0.48975   0.48982   0.49239   0.49452   0.49797
     Eigenvalues ---    0.49808   0.49814   0.49848   0.49904   0.49926
     Eigenvalues ---    0.50007   0.50179   0.50389   0.50408   0.50428
     Eigenvalues ---    0.50611   0.50614   0.50617   0.51423   0.51882
     Eigenvalues ---    0.52040   0.52436   0.52770   0.53092   0.53746
     Eigenvalues ---    0.54070   0.54112   0.54145   0.54199   0.54201
     Eigenvalues ---    0.54206   0.54434   0.54948   0.55123   0.55290
     Eigenvalues ---    0.55322   0.55340   0.55357   0.55377   0.55409
     Eigenvalues ---    0.55423   0.55473   0.55583   0.55643   0.55701
     Eigenvalues ---    0.55706   0.55761   0.55822   0.55939   0.55948
     Eigenvalues ---    0.56085   0.56147   0.56153   0.56154   0.56226
     Eigenvalues ---    0.56269   0.56310   0.56391   0.56637   0.56662
     Eigenvalues ---    0.56664   0.56670   0.56673   0.56682   0.56846
     Eigenvalues ---    0.56900   0.56914   0.56934   0.57127   0.57174
     Eigenvalues ---    0.57179   0.57190   0.57195   0.57209   0.57611
     Eigenvalues ---    0.61806   0.62393   0.65946   0.66054   0.67648
     Eigenvalues ---    0.67657   0.67661   0.68881   0.69954   0.70071
     Eigenvalues ---    0.72053   0.75016   0.80057
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    35   34   33   32   31   30   29   28   27   26
 RFO step:  Lambda=-1.46910901D-06.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 RFO-DIIS uses    5 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    2.79152   -2.00000   -0.06507    0.48312   -0.20957
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00390413 RMS(Int)=  0.00000877
 Iteration  2 RMS(Cart)=  0.00002174 RMS(Int)=  0.00000358
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000358
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64721   0.00000   0.00007   0.00001   0.00008   2.64728
    R2        2.66040  -0.00000  -0.00003   0.00000  -0.00003   2.66037
    R3        2.80234   0.00001  -0.00008   0.00002  -0.00007   2.80227
    R4        2.64598  -0.00001  -0.00007  -0.00002  -0.00009   2.64589
    R5        2.04880   0.00000   0.00000   0.00000   0.00001   2.04881
    R6        2.66500  -0.00002   0.00007  -0.00003   0.00004   2.66504
    R7        2.79055  -0.00001   0.00004  -0.00003   0.00002   2.79056
    R8        2.64667  -0.00000  -0.00003  -0.00001  -0.00004   2.64663
    R9        2.78143   0.00002  -0.00001   0.00004   0.00003   2.78146
   R10        2.62024   0.00000   0.00003   0.00001   0.00005   2.62028
   R11        2.04843  -0.00000   0.00000  -0.00000   0.00000   2.04843
   R12        2.05097   0.00000  -0.00000   0.00000  -0.00000   2.05097
   R13        2.67857  -0.00001   0.00002  -0.00000   0.00002   2.67859
   R14        2.64447  -0.00001  -0.00008  -0.00002  -0.00009   2.64438
   R15        2.84455  -0.00006   0.00008  -0.00009  -0.00001   2.84454
   R16        2.64372   0.00001  -0.00009   0.00003  -0.00006   2.64366
   R17        2.85015  -0.00005  -0.00021  -0.00011  -0.00032   2.84983
   R18        2.70569  -0.00012  -0.00024  -0.00022  -0.00046   2.70523
   R19        3.90143   0.00001   0.00023   0.00049   0.00073   3.90216
   R20        2.43177   0.00001   0.00001   0.00003   0.00004   2.43181
   R21        2.64713   0.00001   0.00009   0.00001   0.00010   2.64723
   R22        2.04791   0.00000   0.00000   0.00001   0.00001   2.04792
   R23        2.64930   0.00001  -0.00008   0.00001  -0.00007   2.64923
   R24        2.80120  -0.00002  -0.00001  -0.00004  -0.00005   2.80116
   R25        2.62507  -0.00000   0.00008  -0.00000   0.00008   2.62515
   R26        2.05044   0.00000   0.00000   0.00000   0.00000   2.05044
   R27        2.04119   0.00000   0.00003  -0.00001   0.00001   2.04120
   R28        2.69782   0.00005   0.00012   0.00006   0.00018   2.69800
   R29        3.32087  -0.00000   0.00006   0.00005   0.00011   3.32098
   R30        5.34863  -0.00002  -0.00015   0.00018   0.00003   5.34866
   R31        2.67063  -0.00003  -0.00001  -0.00003  -0.00003   2.67059
   R32        2.65262   0.00001  -0.00005  -0.00000  -0.00005   2.65258
   R33        2.61767   0.00000   0.00022   0.00003   0.00025   2.61793
   R34        2.64936  -0.00000  -0.00008  -0.00000  -0.00009   2.64928
   R35        2.62556   0.00000   0.00004   0.00000   0.00004   2.62560
   R36        2.03796  -0.00001  -0.00001  -0.00000  -0.00001   2.03795
   R37        2.65807  -0.00000  -0.00004   0.00000  -0.00004   2.65803
   R38        2.05125   0.00000  -0.00000  -0.00000  -0.00000   2.05124
   R39        2.63432  -0.00000   0.00006   0.00001   0.00007   2.63439
   R40        2.80135  -0.00000  -0.00004  -0.00000  -0.00005   2.80130
   R41        2.04949   0.00000  -0.00001  -0.00000  -0.00001   2.04948
   R42        2.65587  -0.00000   0.00001   0.00000   0.00002   2.65588
   R43        2.65571  -0.00000   0.00003   0.00000   0.00003   2.65574
   R44        2.65545   0.00001  -0.00001   0.00001  -0.00000   2.65545
   R45        2.65551   0.00001   0.00001   0.00001   0.00001   2.65553
   R46        2.65544   0.00000   0.00001   0.00001   0.00002   2.65546
   R47        2.65557   0.00000   0.00002   0.00000   0.00003   2.65560
   R48        2.62908  -0.00001   0.00000  -0.00001  -0.00001   2.62907
   R49        2.05131   0.00000   0.00001  -0.00000   0.00000   2.05131
   R50        2.64724   0.00001   0.00000   0.00001   0.00001   2.64725
   R51        2.05001   0.00000  -0.00001   0.00000  -0.00000   2.05000
   R52        2.64695   0.00000   0.00001   0.00000   0.00001   2.64697
   R53        2.68000  -0.00002  -0.00000  -0.00001  -0.00001   2.67999
   R54        2.62937  -0.00001  -0.00000  -0.00001  -0.00001   2.62935
   R55        2.04999   0.00000  -0.00001   0.00000  -0.00000   2.04999
   R56        2.05148   0.00000   0.00000  -0.00000   0.00000   2.05148
   R57        2.62922  -0.00000   0.00001  -0.00000   0.00000   2.62923
   R58        2.05124  -0.00000  -0.00000  -0.00000  -0.00000   2.05123
   R59        2.64698  -0.00000  -0.00002  -0.00000  -0.00002   2.64695
   R60        2.05000   0.00000   0.00000   0.00001   0.00001   2.05001
   R61        2.64697  -0.00000  -0.00001   0.00000  -0.00001   2.64697
   R62        2.68021  -0.00000   0.00004  -0.00000   0.00004   2.68024
   R63        2.62918  -0.00000  -0.00001  -0.00000  -0.00001   2.62916
   R64        2.05003   0.00000   0.00000   0.00001   0.00001   2.05003
   R65        2.05143   0.00000  -0.00000  -0.00000  -0.00000   2.05143
   R66        2.62964  -0.00000   0.00000  -0.00001  -0.00000   2.62963
   R67        2.05153   0.00000  -0.00000  -0.00000  -0.00000   2.05153
   R68        2.64647   0.00000  -0.00002   0.00000  -0.00002   2.64645
   R69        2.05015   0.00000   0.00000   0.00000   0.00000   2.05015
   R70        2.64674  -0.00000  -0.00000  -0.00000  -0.00001   2.64674
   R71        2.68134   0.00000   0.00003   0.00000   0.00003   2.68137
   R72        2.62930  -0.00000  -0.00001  -0.00000  -0.00001   2.62929
   R73        2.05012   0.00000  -0.00000   0.00001   0.00001   2.05012
   R74        2.05137  -0.00000  -0.00000  -0.00000  -0.00001   2.05137
   R75        2.64738   0.00000  -0.00004   0.00001  -0.00003   2.64735
   R76        2.64739   0.00000  -0.00005   0.00000  -0.00005   2.64734
   R77        2.64742   0.00002  -0.00001   0.00002   0.00001   2.64743
   R78        2.64753   0.00002   0.00000   0.00002   0.00003   2.64755
   R79        2.64684   0.00000  -0.00004   0.00001  -0.00004   2.64681
   R80        2.64648   0.00000  -0.00004   0.00001  -0.00003   2.64644
   R81        2.67973  -0.00001   0.00000  -0.00001  -0.00000   2.67973
   R82        2.64106  -0.00000   0.00001  -0.00000   0.00001   2.64107
   R83        2.73646   0.00000   0.00001   0.00000   0.00001   2.73647
   R84        2.64487  -0.00000  -0.00000  -0.00000  -0.00000   2.64486
   R85        2.67970  -0.00001   0.00000  -0.00001  -0.00001   2.67969
   R86        2.64489  -0.00000  -0.00000  -0.00000  -0.00000   2.64488
   R87        2.64104  -0.00000   0.00001  -0.00000   0.00000   2.64104
   R88        2.67974  -0.00000   0.00001  -0.00000   0.00001   2.67975
   R89        2.64112  -0.00001  -0.00000  -0.00001  -0.00001   2.64111
   R90        2.73639   0.00000   0.00002   0.00001   0.00003   2.73642
   R91        2.64489   0.00000   0.00000   0.00000   0.00000   2.64489
   R92        2.67978  -0.00000   0.00001  -0.00000   0.00001   2.67979
   R93        2.64487   0.00000   0.00000   0.00000   0.00000   2.64487
   R94        2.64109  -0.00001  -0.00000  -0.00001  -0.00001   2.64109
   R95        2.67990  -0.00000   0.00001  -0.00000   0.00001   2.67991
   R96        2.64114  -0.00000  -0.00000  -0.00001  -0.00001   2.64113
   R97        2.73635   0.00000   0.00002   0.00000   0.00003   2.73637
   R98        2.64499   0.00000   0.00000   0.00000   0.00000   2.64499
   R99        2.68005  -0.00000   0.00001  -0.00000   0.00001   2.68006
   R100       2.64492   0.00000   0.00000   0.00000   0.00000   2.64493
   R101       2.64116  -0.00000   0.00000  -0.00000  -0.00000   2.64115
   R102       2.62965   0.00000  -0.00000   0.00001   0.00000   2.62966
   R103       2.05272  -0.00000  -0.00000  -0.00000  -0.00000   2.05272
   R104       2.65531  -0.00000  -0.00000  -0.00001  -0.00001   2.65531
   R105       2.05144   0.00000  -0.00000   0.00000  -0.00000   2.05144
   R106       2.63265   0.00000  -0.00000   0.00000   0.00000   2.63265
   R107       2.05228  -0.00000  -0.00000  -0.00000  -0.00000   2.05228
   R108       2.04890   0.00000  -0.00001   0.00000  -0.00000   2.04890
   R109       2.63265   0.00000  -0.00000   0.00000   0.00000   2.63266
   R110       2.04891   0.00000  -0.00001   0.00000  -0.00000   2.04891
   R111       2.65532  -0.00000   0.00000  -0.00001  -0.00000   2.65531
   R112       2.05231  -0.00000  -0.00000   0.00000  -0.00000   2.05231
   R113       2.62969   0.00000  -0.00000   0.00001   0.00000   2.62969
   R114       2.05147   0.00000  -0.00000   0.00000  -0.00000   2.05147
   R115       2.05273  -0.00000  -0.00000  -0.00000  -0.00000   2.05273
   R116       2.62967   0.00000   0.00000   0.00001   0.00001   2.62968
   R117       2.05275  -0.00000  -0.00000  -0.00000  -0.00000   2.05275
   R118       2.65534  -0.00000   0.00001  -0.00000   0.00000   2.65535
   R119       2.05148   0.00000  -0.00000   0.00000   0.00000   2.05148
   R120       2.63264   0.00000  -0.00000   0.00000  -0.00000   2.63264
   R121       2.05230  -0.00000  -0.00000   0.00000  -0.00000   2.05230
   R122       2.04890   0.00000   0.00000   0.00000   0.00001   2.04890
   R123       2.63262   0.00000  -0.00000   0.00000   0.00000   2.63262
   R124       2.04891   0.00000   0.00000   0.00000   0.00001   2.04891
   R125       2.65536  -0.00000   0.00001  -0.00000   0.00000   2.65537
   R126       2.05229  -0.00000  -0.00000  -0.00000  -0.00000   2.05229
   R127       2.62966   0.00000   0.00000   0.00001   0.00001   2.62967
   R128       2.05147   0.00000  -0.00000   0.00000   0.00000   2.05147
   R129       2.05274  -0.00000   0.00000  -0.00000  -0.00000   2.05274
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   A204       2.05479  -0.00000  -0.00001  -0.00001  -0.00002   2.05477
   A205       2.11732  -0.00000  -0.00002  -0.00001  -0.00003   2.11729
   A206       2.11105   0.00000   0.00003   0.00002   0.00005   2.11110
   A207       2.11978  -0.00000  -0.00000  -0.00001  -0.00001   2.11976
   A208       2.07829   0.00000   0.00001   0.00001   0.00002   2.07831
   A209       2.08511   0.00000  -0.00001   0.00000  -0.00000   2.08511
   A210       2.10407   0.00000   0.00001   0.00001   0.00002   2.10409
   A211       2.08716   0.00000  -0.00001   0.00000  -0.00000   2.08716
   A212       2.09194  -0.00000  -0.00001  -0.00001  -0.00002   2.09192
   A213       2.07982  -0.00000   0.00000  -0.00000   0.00000   2.07982
   A214       2.10017   0.00000   0.00001   0.00001   0.00002   2.10019
   A215       2.10319  -0.00000  -0.00001  -0.00001  -0.00002   2.10317
   A216       2.07993  -0.00000   0.00000  -0.00000   0.00000   2.07993
   A217       2.10016   0.00000   0.00000   0.00001   0.00002   2.10017
   A218       2.10309  -0.00000  -0.00000  -0.00001  -0.00002   2.10307
   A219       2.10407   0.00000   0.00001   0.00001   0.00002   2.10409
   A220       2.09187  -0.00000  -0.00000  -0.00001  -0.00002   2.09186
   A221       2.08723   0.00000  -0.00000   0.00000   0.00000   2.08723
   A222       2.11976  -0.00000  -0.00000  -0.00001  -0.00001   2.11975
   A223       2.08502   0.00000  -0.00001   0.00000  -0.00000   2.08502
   A224       2.07840   0.00000   0.00001   0.00001   0.00001   2.07842
   A225       2.05482  -0.00000  -0.00001  -0.00000  -0.00001   2.05481
   A226       2.11678  -0.00000  -0.00001  -0.00001  -0.00002   2.11676
   A227       2.11156   0.00000   0.00002   0.00001   0.00003   2.11159
   A228       2.05460  -0.00000  -0.00001  -0.00000  -0.00001   2.05458
   A229       2.11719  -0.00000  -0.00002  -0.00001  -0.00003   2.11716
   A230       2.11138   0.00000   0.00002   0.00002   0.00004   2.11142
   A231       2.11985  -0.00000  -0.00000  -0.00001  -0.00001   2.11984
   A232       2.07824   0.00000   0.00001   0.00001   0.00002   2.07826
   A233       2.08509   0.00000  -0.00001   0.00000  -0.00000   2.08509
   A234       2.10415   0.00000   0.00001   0.00001   0.00002   2.10416
   A235       2.08715   0.00000  -0.00000   0.00000   0.00000   2.08715
   A236       2.09188  -0.00000  -0.00001  -0.00001  -0.00002   2.09186
   A237       2.07978  -0.00000   0.00000  -0.00000   0.00000   2.07978
   A238       2.10023   0.00000   0.00000   0.00001   0.00002   2.10024
   A239       2.10317  -0.00000  -0.00001  -0.00001  -0.00002   2.10316
   A240       2.01682  -0.00000   0.00012   0.00003   0.00015   2.01697
   A241       1.84579  -0.00001   0.00004  -0.00000   0.00003   1.84582
   A242       1.73130   0.00001  -0.00019  -0.00004  -0.00023   1.73107
   A243       2.02841   0.00001  -0.00011  -0.00001  -0.00012   2.02829
   A244       2.03056  -0.00000   0.00015   0.00003   0.00017   2.03073
   A245       1.77114   0.00000  -0.00004  -0.00001  -0.00005   1.77109
   A246       2.11433  -0.00001   0.00030  -0.00002   0.00026   2.11459
   A247       2.06272   0.00000   0.00010   0.00003   0.00012   2.06284
   A248       1.87757  -0.00000  -0.00010  -0.00010  -0.00018   1.87739
   A249       1.88056  -0.00000   0.00043   0.00015   0.00055   1.88111
   A250       1.89511   0.00000  -0.00002  -0.00002  -0.00004   1.89507
   A251       1.95470   0.00000   0.00002   0.00003   0.00005   1.95475
   A252       1.95989  -0.00000  -0.00010   0.00002  -0.00009   1.95979
   A253       1.89355   0.00000  -0.00021  -0.00007  -0.00025   1.89330
   A254       1.91043   0.00001   0.00000   0.00001   0.00002   1.91045
   A255       1.93756  -0.00000   0.00002  -0.00001   0.00001   1.93757
   A256       1.93720  -0.00000  -0.00004  -0.00001  -0.00004   1.93715
   A257       1.89094  -0.00000   0.00002   0.00001   0.00003   1.89097
   A258       1.89055  -0.00000   0.00003   0.00000   0.00003   1.89058
   A259       1.89596   0.00000  -0.00003  -0.00001  -0.00004   1.89592
   A260       1.88137  -0.00000   0.00005   0.00001   0.00005   1.88142
   A261       1.89040   0.00000  -0.00015  -0.00003  -0.00018   1.89022
   A262       1.89436  -0.00000   0.00012   0.00001   0.00013   1.89448
   A263       1.94741  -0.00000  -0.00000   0.00000   0.00000   1.94741
   A264       1.95116   0.00000  -0.00003   0.00000  -0.00003   1.95114
   A265       1.89750  -0.00000   0.00002   0.00000   0.00002   1.89752
   A266       1.93708   0.00000  -0.00003  -0.00001  -0.00004   1.93704
   A267       1.91350   0.00000  -0.00000  -0.00001  -0.00001   1.91349
   A268       1.93463   0.00000   0.00002   0.00002   0.00004   1.93467
   A269       1.89200  -0.00000   0.00000  -0.00000   0.00000   1.89200
   A270       1.89328  -0.00000   0.00001  -0.00000   0.00000   1.89328
   A271       1.89225  -0.00000   0.00000  -0.00000   0.00000   1.89225
   A272       1.91342   0.00002   0.00724   0.00302   0.01027   1.92368
   A273       1.63695  -0.00002  -0.00704  -0.00283  -0.00987   1.62708
   A274       1.72913  -0.00003   0.00103   0.00031   0.00133   1.73046
   A275       1.81374  -0.00003  -0.00029  -0.00030  -0.00059   1.81315
   A276       1.23345  -0.00000   0.00089   0.00029   0.00118   1.23463
   A277       1.33921  -0.00000  -0.00010  -0.00017  -0.00028   1.33893
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    D2        3.11099  -0.00000   0.00001   0.00002   0.00002   3.11101
    D3       -3.13078   0.00000  -0.00006   0.00001  -0.00005  -3.13083
    D4       -0.03051   0.00000  -0.00004   0.00002  -0.00003  -0.03054
    D5       -0.03069  -0.00000  -0.00006  -0.00003  -0.00009  -0.03078
    D6        3.10454  -0.00000  -0.00012  -0.00002  -0.00015   3.10440
    D7        3.11081  -0.00000  -0.00001  -0.00003  -0.00004   3.11077
    D8       -0.03714  -0.00000  -0.00008  -0.00002  -0.00010  -0.03724
    D9        2.49344   0.00001   0.00023   0.00024   0.00047   2.49391
   D10       -0.64894   0.00001   0.00021   0.00024   0.00045  -0.64850
   D11       -0.64806   0.00001   0.00018   0.00024   0.00043  -0.64763
   D12        2.49275   0.00001   0.00016   0.00024   0.00040   2.49314
   D13        0.03371   0.00000   0.00008   0.00002   0.00011   0.03382
   D14       -3.02148  -0.00001   0.00046  -0.00007   0.00039  -3.02110
   D15       -3.06624   0.00000   0.00007   0.00001   0.00008  -3.06616
   D16        0.16175  -0.00000   0.00045  -0.00008   0.00036   0.16212
   D17       -0.05873  -0.00000  -0.00010  -0.00003  -0.00012  -0.05886
   D18        3.05011  -0.00001  -0.00017  -0.00024  -0.00041   3.04970
   D19        3.00064   0.00000  -0.00045   0.00006  -0.00038   3.00025
   D20       -0.17370  -0.00000  -0.00052  -0.00015  -0.00067  -0.17437
   D21       -2.91585   0.00002  -0.00050   0.00043  -0.00007  -2.91593
   D22        0.35541   0.00001  -0.00006   0.00038   0.00032   0.35573
   D23        0.31173   0.00001  -0.00013   0.00033   0.00020   0.31192
   D24       -2.70019   0.00001   0.00031   0.00028   0.00059  -2.69961
   D25        0.03996   0.00000   0.00003   0.00000   0.00003   0.03999
   D26       -3.11527   0.00000  -0.00002   0.00003   0.00000  -3.11527
   D27       -3.06889   0.00001   0.00010   0.00021   0.00032  -3.06857
   D28        0.05907   0.00001   0.00005   0.00024   0.00029   0.05936
   D29       -0.38812  -0.00000   0.00048  -0.00000   0.00048  -0.38763
   D30        2.82622  -0.00000   0.00041   0.00008   0.00049   2.82671
   D31        2.72063  -0.00001   0.00041  -0.00021   0.00019   2.72082
   D32       -0.34822  -0.00001   0.00034  -0.00013   0.00020  -0.34802
   D33        0.00555   0.00000   0.00005   0.00002   0.00007   0.00563
   D34       -3.12968  -0.00000   0.00011   0.00002   0.00013  -3.12955
   D35       -3.12205  -0.00000   0.00010   0.00000   0.00010  -3.12195
   D36        0.02590  -0.00000   0.00017  -0.00001   0.00016   0.02606
   D37        0.13105  -0.00002   0.00073  -0.00036   0.00037   0.13142
   D38       -2.91604  -0.00002   0.00107  -0.00023   0.00084  -2.91520
   D39       -3.13792  -0.00001   0.00030  -0.00032  -0.00001  -3.13793
   D40        0.09818  -0.00001   0.00065  -0.00019   0.00046   0.09864
   D41        2.98578   0.00001  -0.00075   0.00020  -0.00055   2.98523
   D42       -0.07332   0.00001  -0.00062   0.00020  -0.00042  -0.07374
   D43       -0.02754   0.00001  -0.00030   0.00015  -0.00015  -0.02769
   D44       -3.08664   0.00001  -0.00018   0.00016  -0.00002  -3.08666
   D45       -0.65896   0.00001  -0.00072   0.00019  -0.00053  -0.65949
   D46       -3.01169   0.00000  -0.00077  -0.00004  -0.00081  -3.01250
   D47        1.17933  -0.00002  -0.00052  -0.00001  -0.00052   1.17881
   D48        2.38404   0.00001  -0.00107   0.00005  -0.00102   2.38303
   D49        0.03131   0.00000  -0.00112  -0.00018  -0.00130   0.03001
   D50       -2.06085  -0.00002  -0.00087  -0.00015  -0.00101  -2.06187
   D51       -0.09447   0.00001  -0.00052   0.00008  -0.00045  -0.09492
   D52        3.01971   0.00000  -0.00037  -0.00000  -0.00037   3.01934
   D53       -3.13758   0.00001  -0.00017   0.00021   0.00004  -3.13754
   D54       -0.02340   0.00000  -0.00001   0.00013   0.00012  -0.02328
   D55        0.78066   0.00000   0.00008  -0.00001   0.00008   0.78074
   D56       -2.43784   0.00000   0.00016  -0.00009   0.00007  -2.43777
   D57       -3.13112  -0.00001   0.00006   0.00024   0.00030  -3.13082
   D58       -0.06643  -0.00001   0.00013   0.00016   0.00028  -0.06615
   D59       -1.16810   0.00002   0.00015   0.00011   0.00026  -1.16784
   D60        1.89659   0.00002   0.00022   0.00002   0.00025   1.89684
   D61        2.37636   0.00000   0.00079   0.00011   0.00090   2.37725
   D62       -1.11796   0.00001   0.00061   0.00027   0.00088  -1.11708
   D63        0.05737   0.00000   0.00085  -0.00011   0.00073   0.05810
   D64        2.84624   0.00001   0.00068   0.00004   0.00072   2.84696
   D65        2.40687  -0.00001  -0.00166  -0.00063  -0.00231   2.40456
   D66        1.84538  -0.00001  -0.00113  -0.00037  -0.00148   1.84390
   D67       -1.87847  -0.00002  -0.00172  -0.00068  -0.00241  -1.88089
   D68       -2.43996  -0.00001  -0.00119  -0.00042  -0.00159  -2.44155
   D69        3.10349   0.00001  -0.00054  -0.00014  -0.00068   3.10281
   D70        0.04140   0.00001  -0.00062  -0.00005  -0.00067   0.04073
   D71       -0.04899   0.00000  -0.00017  -0.00001  -0.00018  -0.04917
   D72        3.13212   0.00000  -0.00013   0.00001  -0.00012   3.13200
   D73        3.01060   0.00000  -0.00029  -0.00001  -0.00030   3.01029
   D74       -0.09147   0.00000  -0.00025   0.00000  -0.00024  -0.09172
   D75        0.05445  -0.00001   0.00031  -0.00011   0.00020   0.05465
   D76       -3.10893  -0.00001   0.00026  -0.00011   0.00015  -3.10878
   D77       -3.12692  -0.00000   0.00026  -0.00012   0.00014  -3.12678
   D78       -0.00711  -0.00001   0.00022  -0.00013   0.00009  -0.00702
   D79        2.47890  -0.00000  -0.00037   0.00002  -0.00036   2.47854
   D80       -0.66411   0.00000  -0.00043   0.00003  -0.00040  -0.66452
   D81       -0.62165  -0.00000  -0.00033   0.00003  -0.00029  -0.62195
   D82        2.51852  -0.00000  -0.00038   0.00004  -0.00034   2.51818
   D83        0.01727   0.00000   0.00004   0.00007   0.00011   0.01738
   D84       -3.09749   0.00000  -0.00011   0.00015   0.00004  -3.09745
   D85       -3.10271   0.00000   0.00008   0.00008   0.00016  -3.10255
   D86        0.06571   0.00000  -0.00007   0.00016   0.00009   0.06580
   D87       -0.03053   0.00000  -0.00131  -0.00002  -0.00133  -0.03186
   D88       -3.12778   0.00000  -0.00121   0.00005  -0.00116  -3.12895
   D89       -2.81445  -0.00001  -0.00115  -0.00020  -0.00135  -2.81579
   D90        0.37148  -0.00001  -0.00105  -0.00013  -0.00118   0.37031
   D91       -0.92712  -0.00000  -0.00134  -0.00013  -0.00147  -0.92859
   D92        2.25881   0.00000  -0.00124  -0.00007  -0.00130   2.25750
   D93        0.13938  -0.00001   0.00030  -0.00005   0.00025   0.13963
   D94       -2.13080  -0.00001   0.00033  -0.00006   0.00026  -2.13053
   D95        2.32360  -0.00001   0.00042  -0.00004   0.00038   2.32398
   D96        2.92795   0.00000   0.00013   0.00012   0.00025   2.92820
   D97        0.65778   0.00001   0.00015   0.00011   0.00027   0.65804
   D98       -1.17101   0.00000   0.00025   0.00014   0.00039  -1.17063
   D99        0.75786  -0.00001   0.00054   0.00014   0.00068   0.75854
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   D101       2.94208  -0.00001   0.00066   0.00016   0.00082   2.94290
   D102      -1.13507   0.00000  -0.00129  -0.00064  -0.00194  -1.13701
   D103      -1.70497   0.00001  -0.00062  -0.00035  -0.00095  -1.70592
   D104       1.03159  -0.00000  -0.00141  -0.00064  -0.00207   1.02953
   D105       0.46170   0.00000  -0.00074  -0.00035  -0.00108   0.46062
   D106       0.00277  -0.00000   0.00085   0.00014   0.00099   0.00376
   D107      -3.11763   0.00000   0.00046   0.00008   0.00054  -3.11709
   D108       3.10251  -0.00000   0.00076   0.00008   0.00084   3.10335
   D109      -0.01789   0.00000   0.00037   0.00002   0.00039  -0.01750
   D110       3.11971  -0.00000  -0.00043  -0.00008  -0.00050   3.11921
   D111      -0.01932  -0.00000  -0.00045  -0.00005  -0.00050  -0.01983
   D112       0.02182  -0.00000  -0.00032  -0.00001  -0.00033   0.02148
   D113      -3.11722   0.00000  -0.00035   0.00001  -0.00034  -3.11755
   D114      -0.00814  -0.00000   0.00012  -0.00010   0.00002  -0.00812
   D115       3.11299  -0.00000   0.00050  -0.00005   0.00045   3.11344
   D116       0.00131  -0.00000  -0.00015  -0.00000  -0.00015   0.00116
   D117       3.11436  -0.00000  -0.00009  -0.00002  -0.00011   3.11426
   D118      -3.12027   0.00000  -0.00052  -0.00006  -0.00058  -3.12085
   D119      -0.00722  -0.00000  -0.00046  -0.00007  -0.00053  -0.00775
   D120      -0.00940  -0.00000   0.00005  -0.00001   0.00004  -0.00936
   D121       3.11131  -0.00000  -0.00006  -0.00002  -0.00008   3.11123
   D122       3.12969  -0.00000   0.00007  -0.00003   0.00004   3.12973
   D123      -0.03278  -0.00000  -0.00004  -0.00004  -0.00008  -0.03286
   D124      -0.00745   0.00000   0.00018   0.00002   0.00020  -0.00725
   D125       3.13974   0.00000   0.00010   0.00003   0.00013   3.13987
   D126      -3.12789   0.00000   0.00029   0.00003   0.00033  -3.12756
   D127       0.01930   0.00000   0.00021   0.00004   0.00025   0.01955
   D128       0.01138  -0.00000  -0.00013  -0.00002  -0.00014   0.01124
   D129      -3.10023   0.00000  -0.00019  -0.00000  -0.00019  -3.10043
   D130      -3.13580  -0.00000  -0.00005  -0.00002  -0.00007  -3.13587
   D131       0.03577   0.00000  -0.00011  -0.00001  -0.00012   0.03565
   D132       0.61612  -0.00000  -0.00054  -0.00010  -0.00064   0.61549
   D133      -2.52593  -0.00000  -0.00053  -0.00011  -0.00064  -2.52657
   D134      -2.51961  -0.00000  -0.00062  -0.00009  -0.00071  -2.52032
   D135       0.62152  -0.00000  -0.00061  -0.00010  -0.00072   0.62081
   D136      -3.13272   0.00000  -0.00003  -0.00002  -0.00005  -3.13277
   D137      -0.03708  -0.00000  -0.00005  -0.00005  -0.00010  -0.03718
   D138       0.00963  -0.00000  -0.00000  -0.00002  -0.00002   0.00961
   D139       3.10527  -0.00000  -0.00003  -0.00004  -0.00007   3.10521
   D140      -3.13459   0.00000   0.00001   0.00002   0.00004  -3.13456
   D141      -0.03881  -0.00000  -0.00002   0.00000  -0.00002  -0.03883
   D142       0.00623   0.00000  -0.00001   0.00002   0.00001   0.00624
   D143       3.10202  -0.00000  -0.00004  -0.00001  -0.00005   3.10197
   D144      -3.13408   0.00000  -0.00007   0.00002  -0.00006  -3.13413
   D145      -0.03785   0.00000  -0.00007   0.00002  -0.00005  -0.03790
   D146       0.00889   0.00000  -0.00002   0.00001  -0.00001   0.00888
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   D372       0.00685  -0.00000   0.00000  -0.00000   0.00000   0.00685
   D373      -3.12961   0.00000  -0.00006   0.00001  -0.00005  -3.12966
   D374      -3.14030   0.00000  -0.00002   0.00002  -0.00000  -3.14030
   D375       0.00643   0.00000  -0.00009   0.00003  -0.00006   0.00637
   D376      -0.00641   0.00000  -0.00001   0.00000  -0.00000  -0.00641
   D377       3.14023  -0.00000   0.00003  -0.00001   0.00002   3.14025
   D378       3.13025  -0.00000   0.00006  -0.00000   0.00005   3.13030
   D379      -0.00630  -0.00000   0.00009  -0.00002   0.00008  -0.00622
   D380       0.00713  -0.00000  -0.00005  -0.00001  -0.00006   0.00707
   D381      -3.13125  -0.00000  -0.00005  -0.00000  -0.00005  -3.13130
   D382      -3.13950   0.00000  -0.00008   0.00000  -0.00008  -3.13958
   D383       0.00531   0.00000  -0.00008   0.00001  -0.00007   0.00523
   D384       0.00446   0.00000  -0.00001   0.00001  -0.00001   0.00445
   D385      -3.13053  -0.00000  -0.00003  -0.00001  -0.00004  -3.13057
   D386      -3.14034  -0.00000  -0.00001  -0.00000  -0.00001  -3.14035
   D387       0.00786  -0.00000  -0.00002  -0.00002  -0.00004   0.00781
   D388       0.00446   0.00000  -0.00001   0.00001  -0.00000   0.00446
   D389      -3.14026  -0.00000   0.00000  -0.00000  -0.00000  -3.14026
   D390      -3.13050  -0.00000  -0.00002  -0.00001  -0.00003  -3.13052
   D391       0.00797  -0.00000  -0.00001  -0.00002  -0.00002   0.00794
   D392       0.00714  -0.00000  -0.00005  -0.00001  -0.00006   0.00708
   D393      -3.13944   0.00000  -0.00007   0.00001  -0.00007  -3.13951
   D394      -3.13131  -0.00000  -0.00006  -0.00000  -0.00006  -3.13137
   D395       0.00530   0.00000  -0.00008   0.00001  -0.00007   0.00523
   D396      -0.00642   0.00000  -0.00001   0.00000  -0.00001  -0.00642
   D397       3.13026  -0.00000   0.00005  -0.00001   0.00004   3.13030
   D398       3.14018  -0.00000   0.00002  -0.00001   0.00000   3.14018
   D399      -0.00633  -0.00000   0.00007  -0.00003   0.00005  -0.00628
   D400       1.61847   0.00000   0.00037   0.00025   0.00061   1.61908
   D401      -0.64498   0.00001   0.00026   0.00021   0.00046  -0.64451
   D402      -2.86520   0.00001   0.00016   0.00020   0.00035  -2.86484
   D403      -3.09091  -0.00001   0.00095  -0.00004   0.00091  -3.09000
   D404      -0.91628  -0.00001   0.00104  -0.00001   0.00103  -0.91526
   D405       1.30254  -0.00000   0.00097  -0.00002   0.00095   1.30349
   D406       2.74306   0.00000   0.00649   0.00260   0.00908   2.75215
   D407      -1.42959   0.00000   0.00670   0.00265   0.00935  -1.42024
   D408       0.61802   0.00001   0.00668   0.00264   0.00933   0.62734
   D409       2.98705   0.00002  -0.00485  -0.00065  -0.00550   2.98155
   D410      -1.18658   0.00002  -0.00491  -0.00066  -0.00557  -1.19214
   D411       0.87070   0.00002  -0.00491  -0.00066  -0.00557   0.86513
   D412       3.11527  -0.00000   0.00060   0.00021   0.00081   3.11608
   D413      -1.08126  -0.00000   0.00065   0.00022   0.00087  -1.08040
   D414       1.02933  -0.00000   0.00059   0.00021   0.00079   1.03013
   D415       1.05198   0.00000   0.00013   0.00008   0.00023   1.05221
   D416       3.13863   0.00000   0.00017   0.00009   0.00028   3.13891
   D417      -1.03396   0.00000   0.00012   0.00007   0.00021  -1.03375
   D418      -1.08371   0.00000   0.00046   0.00014   0.00059  -1.08312
   D419       1.00294   0.00000   0.00050   0.00015   0.00064   1.00358
   D420       3.11354  -0.00000   0.00045   0.00013   0.00057   3.11411
   D421       1.29214  -0.00000  -0.00417  -0.00163  -0.00581   1.28633
   D422      -2.92953  -0.00001  -0.00401  -0.00165  -0.00566  -2.93519
   D423      -0.75648  -0.00001  -0.00427  -0.00165  -0.00593  -0.76241
   D424      -1.40304  -0.00000  -0.00256  -0.00111  -0.00367  -1.40671
   D425       2.80622  -0.00000  -0.00237  -0.00098  -0.00336   2.80286
   D426       0.63626  -0.00000  -0.00218  -0.00098  -0.00318   0.63308
   D427       1.04539   0.00000  -0.00065  -0.00014  -0.00078   1.04461
   D428       3.13502   0.00000  -0.00067  -0.00014  -0.00081   3.13421
   D429      -1.05975   0.00000  -0.00065  -0.00014  -0.00079  -1.06054
   D430      -1.02809  -0.00000  -0.00049  -0.00011  -0.00060  -1.02869
   D431       1.06154  -0.00000  -0.00051  -0.00012  -0.00063   1.06091
   D432      -3.13324  -0.00000  -0.00049  -0.00011  -0.00061  -3.13384
   D433       3.12593   0.00000  -0.00049  -0.00012  -0.00061   3.12533
   D434      -1.06762   0.00000  -0.00051  -0.00012  -0.00064  -1.06826
   D435       1.02079   0.00000  -0.00049  -0.00012  -0.00062   1.02017
   D436      -1.36065   0.00002   0.00367   0.00161   0.00531  -1.35534
   D437      -1.25833   0.00001   0.00289   0.00123   0.00414  -1.25419
   D438       0.41617   0.00000   0.00160   0.00061   0.00223   0.41840
   D439       1.08800  -0.00000   0.00194   0.00091   0.00283   1.09083
   D440       0.91113   0.00000   0.00150   0.00071   0.00219   0.91332
   D441      -0.39170   0.00000  -0.00022  -0.00004  -0.00027  -0.39197
         Item               Value     Threshold  Converged?
 Maximum Force            0.000123     0.000450     YES
 RMS     Force            0.000008     0.000300     YES
 Maximum Displacement     0.030325     0.001800     NO 
 RMS     Displacement     0.003905     0.001200     NO 
 Predicted change in Energy=-7.310592D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.833085    2.897428    0.556342
      2          6           0       -2.065993    1.522102    0.685561
      3          6           0       -1.017807    0.594636    0.724558
      4          6           0        0.308925    1.069950    0.672139
      5          6           0        0.551178    2.440016    0.511723
      6          6           0       -0.501111    3.340935    0.451118
      7          6           0       -1.236145   -0.865773    0.711006
      8          6           0       -0.169528   -1.744625    1.025816
      9          6           0        1.120704   -1.159841    1.534888
     10          6           0        1.434607    0.134439    0.827384
     11          6           0       -2.439673   -1.403613    0.241519
     12          6           0       -2.619722   -2.778122    0.039757
     13          6           0       -1.521139   -3.618553    0.268122
     14          6           0       -0.319881   -3.106145    0.741626
     15          7           0        2.229711   -2.051778    1.689418
     16          6           0        3.524106   -1.642231    1.247605
     17          6           0        3.672899   -0.379036    0.631665
     18          7           0        2.609711    0.488217    0.440114
     19          6           0        4.663612   -2.455985    1.345887
     20          6           0        5.895568   -2.017940    0.875932
     21          6           0        6.062526   -0.757397    0.274607
     22          6           0        4.924925    0.040240    0.160428
     23          6           0       -2.960639    3.860223    0.531203
     24          6           0       -3.913843   -3.311964   -0.447583
     25          6           0        7.383435   -0.301854   -0.220519
     26          6           0       -3.965480   -4.381003   -1.358122
     27          6           0       -5.179713   -4.876555   -1.822484
     28          6           0       -6.385513   -4.325029   -1.370509
     29          6           0       -6.351153   -3.265486   -0.454983
     30          6           0       -5.131775   -2.763937   -0.010522
     31          6           0       -2.852330    5.118068    1.148729
     32          6           0       -3.909660    6.022352    1.138122
     33          6           0       -5.107280    5.699104    0.487584
     34          6           0       -5.227681    4.453568   -0.141822
     35          6           0       -4.171638    3.548326   -0.110064
     36          6           0        8.296287   -1.203463   -0.793591
     37          6           0        9.533416   -0.777632   -1.267479
     38          6           0        9.901409    0.569736   -1.165414
     39          6           0        9.006104    1.479939   -0.589549
     40          6           0        7.764888    1.047823   -0.132890
     41          7           0       -6.184452    6.621518    0.465340
     42          7           0       -7.625577   -4.833364   -1.834298
     43          7           0       11.165294    1.007057   -1.639419
     44          6           0       -8.032038   -6.173219   -1.786768
     45          6           0       -9.330310   -6.280646   -2.346964
     46          6           0       -9.724765   -4.947808   -2.753012
     47          6           0       -8.652109   -4.081786   -2.421011
     48          6           0       -7.497417    6.358947    0.877344
     49          6           0       -8.278421    7.529199    0.700037
     50          6           0       -7.399513    8.542650    0.154792
     51          6           0       -6.117931    7.949691    0.024788
     52          6           0       11.383024    2.039363   -2.560668
     53          6           0       12.777612    2.175048   -2.779431
     54          6           0       13.431271    1.182533   -1.952132
     55          6           0       12.407976    0.480746   -1.265303
     56          6           0      -10.867744   -4.425663   -3.369357
     57          6           0      -10.924567   -3.063968   -3.650389
     58          6           0       -9.846405   -2.222478   -3.328133
     59          6           0       -8.697470   -2.716008   -2.713960
     60          6           0       -7.368349   -7.284870   -1.260444
     61          6           0       -8.016936   -8.516272   -1.322286
     62          6           0       -9.297001   -8.643189   -1.887722
     63          6           0       -9.958986   -7.530106   -2.396933
     64          6           0       -7.587671    9.872458   -0.239044
     65          6           0       -6.510852   10.584867   -0.758071
     66          6           0       -5.251181    9.977218   -0.893846
     67          6           0       -5.036319    8.655606   -0.509151
     68          6           0       -8.040744    5.193009    1.423896
     69          6           0       -9.389399    5.207988    1.772754
     70          6           0      -10.181416    6.354145    1.589702
     71          6           0       -9.631279    7.516769    1.058575
     72          6           0       14.770465    0.842506   -1.728713
     73          6           0       15.070708   -0.176052   -0.829309
     74          6           0       14.044956   -0.851469   -0.146492
     75          6           0       12.704024   -0.533609   -0.350517
     76          6           0       10.455305    2.834715   -3.238984
     77          6           0       10.946471    3.786971   -4.129284
     78          6           0       12.325729    3.944622   -4.347245
     79          6           0       13.244059    3.140352   -3.679256
     80          8           0        0.756179   -3.515954    3.473051
     81         15           0        2.089533   -3.348149    2.867628
     82          8           0        3.310139   -3.143427    3.887793
     83          8           0        2.625618   -4.572325    1.967948
     84          6           0        3.147437   -2.366777    5.116147
     85          6           0        4.227012   -2.808692    6.082932
     86          6           0        2.620238   -5.909241    2.550246
     87          6           0        2.946395   -6.896055    1.447504
     88          1           0       -3.087610    1.176327    0.795989
     89          1           0        1.579211    2.778077    0.449390
     90          1           0       -0.295819    4.397972    0.315238
     91          1           0       -3.238452   -0.731115   -0.048544
     92          1           0       -1.609116   -4.685959    0.094250
     93          1           0        0.511784   -3.784590    0.863218
     94          1           0        4.601864   -3.438275    1.786703
     95          1           0        6.753977   -2.670674    0.999693
     96          1           0        4.958759    1.009819   -0.324331
     97          1           0       -3.041746   -4.803644   -1.740769
     98          1           0       -5.200646   -5.678014   -2.553272
     99          1           0       -7.282141   -2.854863   -0.078871
    100          1           0       -5.124051   -1.961941    0.721095
    101          1           0       -1.942192    5.375263    1.681396
    102          1           0       -3.821377    6.973826    1.651674
    103          1           0       -6.142005    4.210296   -0.672563
    104          1           0       -4.273615    2.599767   -0.628039
    105          1           0        8.018645   -2.246706   -0.908200
    106          1           0       10.211371   -1.481529   -1.738541
    107          1           0        9.296970    2.519663   -0.483088
    108          1           0        7.095213    1.763122    0.334304
    109          1           0      -11.697321   -5.077213   -3.628647
    110          1           0      -11.806245   -2.646775   -4.126901
    111          1           0       -9.905655   -1.164102   -3.564285
    112          1           0       -7.865922   -2.061305   -2.478484
    113          1           0       -6.385324   -7.194166   -0.812107
    114          1           0       -7.520746   -9.394898   -0.920686
    115          1           0       -9.773722   -9.617911   -1.921805
    116          1           0      -10.953132   -7.627324   -2.823750
    117          1           0       -8.563740   10.339711   -0.144485
    118          1           0       -6.643872   11.617410   -1.065768
    119          1           0       -4.425382   10.546611   -1.310152
    120          1           0       -4.063579    8.191497   -0.627215
    121          1           0       -7.434311    4.307727    1.579094
    122          1           0       -9.834453    4.313442    2.198388
    123          1           0      -11.229814    6.331630    1.870520
    124          1           0      -10.241658    8.405749    0.927715
    125          1           0       15.564657    1.371071   -2.248206
    126          1           0       16.105587   -0.449715   -0.648540
    127          1           0       14.299907   -1.637102    0.558719
    128          1           0       11.919093   -1.052777    0.188002
    129          1           0        9.389064    2.712839   -3.084389
    130          1           0       10.245039    4.417845   -4.667294
    131          1           0       12.675188    4.697793   -5.046629
    132          1           0       14.309559    3.255958   -3.856297
    133          1           0        3.238239   -1.309102    4.856711
    134          1           0        2.143057   -2.542077    5.508317
    135          1           0        4.149851   -2.226593    7.006637
    136          1           0        4.119466   -3.867855    6.333526
    137          1           0        5.222151   -2.649479    5.658370
    138          1           0        3.366798   -5.938638    3.350743
    139          1           0        1.633269   -6.096057    2.983585
    140          1           0        3.927792   -6.687332    1.012923
    141          1           0        2.957744   -7.911924    1.854577
    142          1           0        2.198316   -6.851248    0.651463
    143         17           0        0.735519   -0.363728    3.400842
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177786           0.0074046           0.0058213
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13524.5807541612 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.75D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000086   -0.000006    0.000035 Ang=   0.01 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.68069323     A.U. after    9 cycles
            NFock=  9  Conv=0.52D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000030877   -0.000033735    0.000001408
      2        6          -0.000020071    0.000017795    0.000014362
      3        6           0.000021354   -0.000001545   -0.000008322
      4        6          -0.000052264   -0.000000719   -0.000020380
      5        6           0.000003206    0.000008350    0.000018296
      6        6           0.000006282   -0.000000730    0.000000459
      7        6           0.000028598    0.000010899    0.000000459
      8        6           0.000038772    0.000075679    0.000027678
      9        6           0.000034515   -0.000109570   -0.000037852
     10        6           0.000009964   -0.000012538    0.000022262
     11        6          -0.000000676   -0.000027285   -0.000019043
     12        6          -0.000040497    0.000014488   -0.000004862
     13        6           0.000040693    0.000010011    0.000006109
     14        6          -0.000020460   -0.000042347    0.000006200
     15        7          -0.000045786    0.000079074    0.000051771
     16        6          -0.000020706   -0.000009860   -0.000021982
     17        6          -0.000087335    0.000014820    0.000003487
     18        7           0.000075804   -0.000025846    0.000003161
     19        6           0.000027267    0.000001051   -0.000010984
     20        6          -0.000007259   -0.000018500    0.000014206
     21        6          -0.000032389    0.000013057   -0.000005096
     22        6           0.000038479    0.000000337   -0.000008043
     23        6          -0.000037264    0.000017774   -0.000002008
     24        6           0.000010100    0.000010094    0.000007352
     25        6           0.000014111    0.000012677   -0.000000383
     26        6          -0.000004120   -0.000007788   -0.000006344
     27        6           0.000012358   -0.000001493    0.000008460
     28        6          -0.000023043   -0.000009707    0.000001970
     29        6           0.000002199    0.000008857   -0.000004841
     30        6          -0.000001164   -0.000002495   -0.000004537
     31        6           0.000004234   -0.000002426   -0.000004063
     32        6           0.000004346    0.000002560   -0.000005336
     33        6          -0.000004953   -0.000000786   -0.000003703
     34        6          -0.000003725   -0.000000919    0.000006937
     35        6           0.000010460    0.000000385    0.000006993
     36        6           0.000000111    0.000001486   -0.000006615
     37        6          -0.000000391   -0.000005783    0.000006723
     38        6          -0.000001105    0.000005809    0.000001778
     39        6           0.000000874    0.000000250   -0.000008485
     40        6          -0.000001490   -0.000005711    0.000004251
     41        7           0.000016902   -0.000008525    0.000003341
     42        7           0.000036788    0.000027019   -0.000002367
     43        7          -0.000014410   -0.000012391    0.000003197
     44        6           0.000000917   -0.000028577   -0.000011100
     45        6          -0.000006263    0.000007318    0.000016504
     46        6           0.000013627   -0.000000344   -0.000010990
     47        6          -0.000029758    0.000003136    0.000008446
     48        6          -0.000017829   -0.000009055   -0.000007550
     49        6           0.000009042    0.000008026    0.000010360
     50        6           0.000000464   -0.000011558   -0.000009296
     51        6          -0.000004026    0.000019271    0.000006109
     52        6          -0.000000899    0.000021851   -0.000000005
     53        6           0.000002612   -0.000013630   -0.000005180
     54        6          -0.000011097    0.000010905    0.000009332
     55        6           0.000021190   -0.000006579   -0.000004337
     56        6          -0.000003172   -0.000004138    0.000009757
     57        6           0.000005035    0.000005251   -0.000001828
     58        6          -0.000004570   -0.000002162    0.000000546
     59        6           0.000003867   -0.000003572   -0.000003320
     60        6          -0.000003589    0.000004522    0.000000496
     61        6          -0.000002390   -0.000003696   -0.000003817
     62        6           0.000004981    0.000001329    0.000007353
     63        6           0.000001448    0.000002767   -0.000009783
     64        6          -0.000001154    0.000000299    0.000007023
     65        6           0.000004555   -0.000001608   -0.000003766
     66        6          -0.000002392    0.000002327    0.000001757
     67        6          -0.000002068   -0.000004588   -0.000001923
     68        6           0.000002005    0.000004386    0.000000310
     69        6          -0.000003278    0.000000342   -0.000001579
     70        6           0.000004490   -0.000003072    0.000004336
     71        6          -0.000000887    0.000000237   -0.000009182
     72        6           0.000000819   -0.000003412   -0.000009413
     73        6          -0.000003505   -0.000001976    0.000005616
     74        6           0.000003449    0.000000340   -0.000002167
     75        6          -0.000003236    0.000003700   -0.000002263
     76        6           0.000003077   -0.000004834   -0.000000903
     77        6           0.000002348    0.000003525   -0.000000114
     78        6          -0.000004570   -0.000004204   -0.000002878
     79        6           0.000001160    0.000003519    0.000006694
     80        8          -0.000010417    0.000014613   -0.000011778
     81       15           0.000039523   -0.000013439    0.000016064
     82        8           0.000048083   -0.000005745   -0.000082660
     83        8          -0.000083062   -0.000046146   -0.000037284
     84        6          -0.000043561    0.000043890    0.000080747
     85        6           0.000000726   -0.000001440   -0.000008187
     86        6           0.000039417    0.000018564    0.000015338
     87        6           0.000011244    0.000005563    0.000005635
     88        1           0.000001302   -0.000004462   -0.000004060
     89        1          -0.000000614   -0.000000010   -0.000005764
     90        1          -0.000000182    0.000000105    0.000002864
     91        1           0.000002617    0.000008542   -0.000001011
     92        1           0.000000044   -0.000002794    0.000006671
     93        1          -0.000001027   -0.000006388    0.000003497
     94        1           0.000001846    0.000007775   -0.000006064
     95        1           0.000001873    0.000000149   -0.000002000
     96        1          -0.000003107    0.000001990    0.000000696
     97        1           0.000000608   -0.000001691    0.000001754
     98        1          -0.000000801    0.000000020   -0.000001992
     99        1          -0.000001087   -0.000001060    0.000001206
    100        1          -0.000000996    0.000000708    0.000000212
    101        1          -0.000001508    0.000001406    0.000000678
    102        1          -0.000001182    0.000000043    0.000001622
    103        1          -0.000001059   -0.000000357   -0.000001184
    104        1          -0.000002150   -0.000001180   -0.000000295
    105        1           0.000000633   -0.000001353    0.000002166
    106        1           0.000001351    0.000000670   -0.000001541
    107        1           0.000001311    0.000001223    0.000001272
    108        1          -0.000001539    0.000000218   -0.000001264
    109        1           0.000000563    0.000000914   -0.000002367
    110        1          -0.000001804   -0.000001292    0.000002727
    111        1           0.000001181   -0.000000125   -0.000001355
    112        1           0.000001215    0.000000559    0.000000382
    113        1           0.000000494    0.000000495    0.000000964
    114        1          -0.000000755    0.000000373    0.000001705
    115        1           0.000000242   -0.000000002   -0.000003358
    116        1          -0.000000227   -0.000001210    0.000002058
    117        1           0.000000008    0.000000541   -0.000001382
    118        1          -0.000000726    0.000000689    0.000002356
    119        1          -0.000000309   -0.000000627   -0.000001390
    120        1           0.000000636   -0.000000726    0.000000576
    121        1           0.000001713    0.000000386    0.000000278
    122        1           0.000000225    0.000000454    0.000001223
    123        1          -0.000001189   -0.000000054   -0.000002770
    124        1          -0.000000498   -0.000000194    0.000002524
    125        1           0.000000343    0.000001015    0.000002256
    126        1           0.000000785   -0.000000837   -0.000002845
    127        1          -0.000000427    0.000000980    0.000000768
    128        1          -0.000001714   -0.000000054    0.000000829
    129        1          -0.000000824   -0.000000780    0.000001003
    130        1           0.000000211   -0.000000999   -0.000001026
    131        1           0.000000494    0.000001745    0.000002154
    132        1          -0.000000445   -0.000000239   -0.000001854
    133        1          -0.000010574   -0.000024741    0.000003641
    134        1           0.000035227   -0.000032888    0.000014496
    135        1           0.000002154    0.000000714    0.000004212
    136        1          -0.000001908    0.000001255    0.000000256
    137        1          -0.000001195    0.000000669    0.000000726
    138        1          -0.000012340   -0.000004135    0.000011182
    139        1          -0.000004326   -0.000004836   -0.000013333
    140        1           0.000000747   -0.000000839    0.000000150
    141        1          -0.000000635   -0.000000724   -0.000000900
    142        1           0.000000198    0.000001133   -0.000000593
    143       17          -0.000034415    0.000056152   -0.000027493
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000109570 RMS     0.000017196

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000083219 RMS     0.000007637
 Search for a local minimum.
 Step number  36 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   20   21   22   23   24
                                                     25   26   27   28   29
                                                     30   31   32   33   34
                                                     35   36
 DE= -1.01D-06 DEPred=-7.31D-07 R= 1.38D+00
 TightC=F SS=  1.41D+00  RLast= 3.94D-02 DXNew= 1.0456D+00 1.1806D-01
 Trust test= 1.38D+00 RLast= 3.94D-02 DXMaxT set to 6.22D-01
 ITU=  1  0  0  0  0  0  0  1  0  1 -1  1  1  1  1  1  1 -1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00052   0.00140   0.00340   0.00418   0.00422
     Eigenvalues ---    0.00673   0.00694   0.00786   0.01484   0.01672
     Eigenvalues ---    0.02116   0.02239   0.02532   0.02601   0.02635
     Eigenvalues ---    0.02667   0.02700   0.02707   0.02708   0.02711
     Eigenvalues ---    0.02714   0.02725   0.02727   0.02729   0.02733
     Eigenvalues ---    0.02743   0.02749   0.02760   0.02768   0.02771
     Eigenvalues ---    0.02774   0.02775   0.02778   0.02779   0.02785
     Eigenvalues ---    0.02786   0.02789   0.02790   0.02791   0.02791
     Eigenvalues ---    0.02791   0.02792   0.02792   0.02793   0.02794
     Eigenvalues ---    0.02795   0.02800   0.02801   0.02802   0.02803
     Eigenvalues ---    0.02805   0.02805   0.02807   0.02808   0.02808
     Eigenvalues ---    0.02808   0.02809   0.02811   0.02813   0.02817
     Eigenvalues ---    0.02817   0.02818   0.02818   0.02818   0.02819
     Eigenvalues ---    0.02820   0.02820   0.02829   0.02832   0.02843
     Eigenvalues ---    0.02844   0.02845   0.02845   0.02846   0.02847
     Eigenvalues ---    0.02847   0.02850   0.02856   0.02862   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02870   0.02872   0.02872
     Eigenvalues ---    0.02873   0.02876   0.02877   0.02878   0.02878
     Eigenvalues ---    0.02879   0.02881   0.02882   0.02884   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02886   0.02886
     Eigenvalues ---    0.02887   0.02891   0.02892   0.02894   0.02896
     Eigenvalues ---    0.02897   0.02898   0.02899   0.02899   0.02899
     Eigenvalues ---    0.02903   0.02908   0.02910   0.02911   0.02936
     Eigenvalues ---    0.02942   0.02950   0.03024   0.03025   0.03025
     Eigenvalues ---    0.03078   0.03123   0.03133   0.03134   0.03139
     Eigenvalues ---    0.03152   0.03170   0.03231   0.03361   0.03485
     Eigenvalues ---    0.03960   0.04139   0.04766   0.05377   0.05564
     Eigenvalues ---    0.05579   0.05618   0.05726   0.05746   0.05982
     Eigenvalues ---    0.07434   0.08547   0.09411   0.10515   0.11029
     Eigenvalues ---    0.11432   0.11963   0.12608   0.13659   0.15223
     Eigenvalues ---    0.15611   0.15819   0.15898   0.15925   0.15967
     Eigenvalues ---    0.15970   0.15977   0.15986   0.15986   0.15987
     Eigenvalues ---    0.15989   0.15991   0.15995   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15998   0.15998
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16002   0.16003   0.16005
     Eigenvalues ---    0.16011   0.16018   0.16030   0.16100   0.16111
     Eigenvalues ---    0.16242   0.16787   0.17338   0.18874   0.19848
     Eigenvalues ---    0.20911   0.21997   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22002   0.22004
     Eigenvalues ---    0.22011   0.22365   0.22424   0.22519   0.22600
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22604   0.22695
     Eigenvalues ---    0.22947   0.22966   0.22996   0.23168   0.23265
     Eigenvalues ---    0.23462   0.23518   0.23717   0.23974   0.23998
     Eigenvalues ---    0.24194   0.24471   0.24486   0.24489   0.24491
     Eigenvalues ---    0.24499   0.24534   0.24760   0.24897   0.24983
     Eigenvalues ---    0.24984   0.24985   0.24985   0.24987   0.24989
     Eigenvalues ---    0.24992   0.24997   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25002   0.25004   0.25014   0.25020   0.25049
     Eigenvalues ---    0.25081   0.25112   0.25444   0.26358   0.27850
     Eigenvalues ---    0.28271   0.29021   0.29787   0.29799   0.30171
     Eigenvalues ---    0.32017   0.32099   0.32129   0.32142   0.32148
     Eigenvalues ---    0.32172   0.32188   0.32221   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33297   0.33319
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33458   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33634   0.33639
     Eigenvalues ---    0.33640   0.33643   0.33649   0.33663   0.33701
     Eigenvalues ---    0.33722   0.33744   0.33820   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33921   0.33940
     Eigenvalues ---    0.33947   0.33955   0.33960   0.34464   0.34497
     Eigenvalues ---    0.34857   0.34920   0.35044   0.38228   0.41310
     Eigenvalues ---    0.41512   0.43042   0.44429   0.44433   0.44439
     Eigenvalues ---    0.44456   0.45461   0.46454   0.48754   0.48881
     Eigenvalues ---    0.48946   0.48975   0.49242   0.49455   0.49797
     Eigenvalues ---    0.49814   0.49817   0.49850   0.49901   0.49950
     Eigenvalues ---    0.50020   0.50184   0.50396   0.50408   0.50611
     Eigenvalues ---    0.50614   0.50616   0.50783   0.51233   0.51698
     Eigenvalues ---    0.52070   0.52434   0.52741   0.53072   0.53523
     Eigenvalues ---    0.54057   0.54111   0.54199   0.54201   0.54206
     Eigenvalues ---    0.54259   0.54435   0.54969   0.55123   0.55308
     Eigenvalues ---    0.55325   0.55343   0.55354   0.55377   0.55406
     Eigenvalues ---    0.55426   0.55457   0.55557   0.55625   0.55665
     Eigenvalues ---    0.55706   0.55713   0.55767   0.55939   0.55947
     Eigenvalues ---    0.56013   0.56147   0.56152   0.56153   0.56225
     Eigenvalues ---    0.56269   0.56308   0.56374   0.56638   0.56662
     Eigenvalues ---    0.56664   0.56670   0.56672   0.56682   0.56845
     Eigenvalues ---    0.56901   0.56914   0.57070   0.57153   0.57174
     Eigenvalues ---    0.57181   0.57190   0.57195   0.57210   0.57624
     Eigenvalues ---    0.61631   0.61901   0.65915   0.66054   0.67648
     Eigenvalues ---    0.67657   0.67664   0.68926   0.69947   0.70073
     Eigenvalues ---    0.73080   0.75153   0.80046
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    36   35   34   33   32   31   30   29   28   27
 RFO step:  Lambda=-7.94987520D-07.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 DIIS inversion failure, remove point   4.
 DIIS inversion failure, remove point   3.
 RFO-DIIS uses    2 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.54587   -0.54587    0.00000    0.00000    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00237352 RMS(Int)=  0.00000363
 Iteration  2 RMS(Cart)=  0.00001553 RMS(Int)=  0.00000253
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000253
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64728  -0.00001   0.00004   0.00001   0.00005   2.64733
    R2        2.66037   0.00001  -0.00002   0.00000  -0.00002   2.66036
    R3        2.80227   0.00003  -0.00004   0.00002  -0.00002   2.80225
    R4        2.64589   0.00001  -0.00005  -0.00001  -0.00006   2.64583
    R5        2.04881   0.00000   0.00000   0.00000   0.00001   2.04882
    R6        2.66504  -0.00003   0.00002  -0.00003  -0.00000   2.66504
    R7        2.79056  -0.00001   0.00001  -0.00001  -0.00000   2.79056
    R8        2.64663   0.00000  -0.00002  -0.00001  -0.00003   2.64660
    R9        2.78146   0.00003   0.00002   0.00003   0.00005   2.78150
   R10        2.62028  -0.00001   0.00002   0.00001   0.00003   2.62031
   R11        2.04843  -0.00000   0.00000   0.00000   0.00000   2.04844
   R12        2.05097  -0.00000  -0.00000  -0.00000  -0.00000   2.05097
   R13        2.67859  -0.00001   0.00001  -0.00001   0.00000   2.67859
   R14        2.64438   0.00001  -0.00005  -0.00000  -0.00005   2.64433
   R15        2.84454  -0.00007  -0.00000  -0.00004  -0.00005   2.84449
   R16        2.64366   0.00003  -0.00003   0.00002  -0.00001   2.64365
   R17        2.84983  -0.00000  -0.00018  -0.00003  -0.00021   2.84962
   R18        2.70523  -0.00007  -0.00025  -0.00017  -0.00042   2.70482
   R19        3.90216   0.00001   0.00040   0.00025   0.00065   3.90281
   R20        2.43181   0.00000   0.00002  -0.00000   0.00002   2.43183
   R21        2.64723  -0.00001   0.00005  -0.00000   0.00005   2.64729
   R22        2.04792   0.00000   0.00001   0.00000   0.00001   2.04793
   R23        2.64923   0.00003  -0.00004   0.00001  -0.00003   2.64921
   R24        2.80116  -0.00001  -0.00003  -0.00002  -0.00005   2.80111
   R25        2.62515  -0.00002   0.00004  -0.00001   0.00004   2.62518
   R26        2.05044   0.00000   0.00000   0.00000   0.00000   2.05045
   R27        2.04120   0.00000   0.00001   0.00000   0.00001   2.04121
   R28        2.69800   0.00000   0.00010   0.00003   0.00013   2.69813
   R29        3.32098   0.00000   0.00006  -0.00002   0.00004   3.32102
   R30        5.34866   0.00000   0.00001   0.00000   0.00002   5.34867
   R31        2.67059  -0.00000  -0.00002  -0.00001  -0.00003   2.67056
   R32        2.65258   0.00002  -0.00003   0.00000  -0.00002   2.65255
   R33        2.61793  -0.00008   0.00014  -0.00000   0.00014   2.61807
   R34        2.64928   0.00002  -0.00005   0.00000  -0.00005   2.64923
   R35        2.62560  -0.00001   0.00002  -0.00000   0.00002   2.62562
   R36        2.03795  -0.00001  -0.00001  -0.00001  -0.00002   2.03793
   R37        2.65803   0.00001  -0.00002   0.00000  -0.00002   2.65801
   R38        2.05124   0.00000  -0.00000   0.00000  -0.00000   2.05124
   R39        2.63439  -0.00002   0.00004  -0.00001   0.00003   2.63442
   R40        2.80130   0.00001  -0.00002   0.00000  -0.00002   2.80128
   R41        2.04948   0.00000  -0.00001   0.00000  -0.00000   2.04947
   R42        2.65588  -0.00000   0.00001  -0.00000   0.00001   2.65589
   R43        2.65574  -0.00001   0.00002  -0.00000   0.00001   2.65575
   R44        2.65545   0.00001  -0.00000   0.00000   0.00000   2.65545
   R45        2.65553  -0.00000   0.00001   0.00000   0.00001   2.65554
   R46        2.65546   0.00000   0.00001   0.00000   0.00001   2.65547
   R47        2.65560  -0.00000   0.00001  -0.00000   0.00001   2.65561
   R48        2.62907  -0.00001  -0.00000  -0.00001  -0.00001   2.62906
   R49        2.05131   0.00000   0.00000   0.00000   0.00000   2.05132
   R50        2.64725   0.00001   0.00000   0.00001   0.00002   2.64726
   R51        2.05000   0.00000  -0.00000  -0.00000  -0.00000   2.05000
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   A128       1.89092  -0.00001  -0.00000  -0.00001  -0.00002   1.89090
   A129       2.19611   0.00000  -0.00000   0.00000  -0.00000   2.19610
   A130       2.19608   0.00000  -0.00001   0.00000  -0.00000   2.19608
   A131       1.89100  -0.00000   0.00001  -0.00000   0.00001   1.89101
   A132       1.90146  -0.00000   0.00000  -0.00000   0.00000   1.90146
   A133       2.25973  -0.00000   0.00000   0.00001   0.00001   2.25974
   A134       2.12149   0.00000  -0.00001  -0.00001  -0.00002   2.12148
   A135       1.86548   0.00000   0.00000   0.00001   0.00001   1.86549
   A136       2.08630  -0.00000   0.00001   0.00001   0.00001   2.08632
   A137       2.33134  -0.00000  -0.00001  -0.00001  -0.00002   2.33132
   A138       1.86546   0.00000   0.00000   0.00001   0.00001   1.86546
   A139       2.33133  -0.00000  -0.00001  -0.00001  -0.00002   2.33131
   A140       2.08634  -0.00000   0.00000   0.00001   0.00001   2.08635
   A141       1.90146  -0.00000  -0.00000   0.00000   0.00000   1.90146
   A142       2.25985  -0.00000   0.00000   0.00000   0.00001   2.25985
   A143       2.12139   0.00000  -0.00000  -0.00001  -0.00001   2.12138
   A144       1.90152  -0.00000   0.00000   0.00000   0.00000   1.90152
   A145       2.25973  -0.00000  -0.00002  -0.00001  -0.00003   2.25970
   A146       2.12144   0.00000   0.00003   0.00001   0.00003   2.12148
   A147       1.86540   0.00000  -0.00001   0.00000  -0.00001   1.86540
   A148       2.08633  -0.00000  -0.00002  -0.00001  -0.00003   2.08630
   A149       2.33139  -0.00000   0.00003   0.00000   0.00003   2.33142
   A150       1.86545   0.00000  -0.00001   0.00000  -0.00001   1.86544
   A151       2.33135  -0.00000   0.00002   0.00000   0.00003   2.33138
   A152       2.08632  -0.00000  -0.00002  -0.00000  -0.00002   2.08630
   A153       1.90148  -0.00000   0.00000   0.00000   0.00000   1.90148
   A154       2.25978  -0.00000  -0.00002  -0.00000  -0.00003   2.25976
   A155       2.12144   0.00000   0.00002   0.00000   0.00003   2.12147
   A156       1.90165  -0.00000   0.00000   0.00000   0.00000   1.90165
   A157       2.25940  -0.00000  -0.00002  -0.00000  -0.00002   2.25938
   A158       2.12168   0.00000   0.00002   0.00000   0.00002   2.12170
   A159       1.86523   0.00000  -0.00001   0.00000  -0.00000   1.86523
   A160       2.08619  -0.00000  -0.00002  -0.00000  -0.00002   2.08617
   A161       2.33170  -0.00000   0.00002   0.00000   0.00002   2.33173
   A162       1.86518   0.00000  -0.00001   0.00000  -0.00000   1.86518
   A163       2.33178  -0.00000   0.00002   0.00000   0.00002   2.33180
   A164       2.08616  -0.00000  -0.00001  -0.00000  -0.00002   2.08614
   A165       1.90171  -0.00000  -0.00000  -0.00000  -0.00000   1.90171
   A166       2.25954  -0.00000  -0.00002  -0.00000  -0.00002   2.25951
   A167       2.12149   0.00000   0.00002   0.00000   0.00002   2.12151
   A168       2.07984  -0.00000  -0.00000  -0.00000  -0.00000   2.07984
   A169       2.10020   0.00000   0.00000   0.00000   0.00001   2.10021
   A170       2.10314  -0.00000  -0.00000  -0.00000  -0.00001   2.10313
   A171       2.10409   0.00000  -0.00000  -0.00000  -0.00000   2.10409
   A172       2.09194  -0.00000  -0.00000  -0.00000  -0.00001   2.09193
   A173       2.08714   0.00000   0.00000   0.00001   0.00001   2.08715
   A174       2.11970  -0.00000   0.00000  -0.00000  -0.00000   2.11970
   A175       2.08506   0.00000   0.00000   0.00000   0.00000   2.08507
   A176       2.07842   0.00000  -0.00000  -0.00000  -0.00000   2.07841
   A177       2.05485  -0.00000   0.00000   0.00000   0.00001   2.05486
   A178       2.11728  -0.00000   0.00000   0.00000   0.00001   2.11729
   A179       2.11103   0.00000  -0.00001  -0.00001  -0.00001   2.11102
   A180       2.05472  -0.00000   0.00000   0.00001   0.00001   2.05473
   A181       2.11733  -0.00000   0.00000   0.00001   0.00001   2.11734
   A182       2.11110   0.00000  -0.00000  -0.00001  -0.00002   2.11109
   A183       2.11978  -0.00000   0.00000  -0.00000   0.00000   2.11978
   A184       2.07828   0.00000  -0.00000  -0.00000  -0.00000   2.07827
   A185       2.08512   0.00000   0.00000   0.00000   0.00000   2.08513
   A186       2.10409   0.00000  -0.00000  -0.00000  -0.00000   2.10409
   A187       2.08723   0.00000   0.00000   0.00001   0.00001   2.08724
   A188       2.09185  -0.00000  -0.00000  -0.00000  -0.00001   2.09185
   A189       2.07982  -0.00000  -0.00000  -0.00000  -0.00000   2.07982
   A190       2.10020   0.00000   0.00000   0.00000   0.00001   2.10021
   A191       2.10315  -0.00000  -0.00000  -0.00000  -0.00000   2.10315
   A192       2.07984  -0.00000   0.00000  -0.00000  -0.00000   2.07984
   A193       2.10018   0.00000   0.00001   0.00001   0.00002   2.10019
   A194       2.10316  -0.00000  -0.00001  -0.00001  -0.00002   2.10315
   A195       2.10407   0.00000   0.00001   0.00000   0.00001   2.10408
   A196       2.09189  -0.00000  -0.00001  -0.00001  -0.00002   2.09187
   A197       2.08722   0.00000  -0.00000   0.00000   0.00000   2.08722
   A198       2.11978  -0.00000  -0.00001  -0.00000  -0.00001   2.11978
   A199       2.08515   0.00000  -0.00000  -0.00000  -0.00000   2.08515
   A200       2.07825   0.00000   0.00001   0.00000   0.00001   2.07826
   A201       2.05477  -0.00000  -0.00001   0.00000  -0.00001   2.05476
   A202       2.11732  -0.00000  -0.00002  -0.00000  -0.00002   2.11730
   A203       2.11108   0.00000   0.00002   0.00000   0.00003   2.11111
   A204       2.05477  -0.00000  -0.00001  -0.00000  -0.00001   2.05476
   A205       2.11729  -0.00000  -0.00002  -0.00001  -0.00002   2.11727
   A206       2.11110   0.00000   0.00003   0.00001   0.00003   2.11113
   A207       2.11976  -0.00000  -0.00001  -0.00000  -0.00001   2.11975
   A208       2.07831   0.00000   0.00001   0.00000   0.00001   2.07832
   A209       2.08511   0.00000  -0.00000   0.00000  -0.00000   2.08511
   A210       2.10409   0.00000   0.00001   0.00000   0.00002   2.10411
   A211       2.08716   0.00000  -0.00000   0.00000   0.00000   2.08717
   A212       2.09192  -0.00000  -0.00001  -0.00001  -0.00002   2.09190
   A213       2.07982  -0.00000   0.00000  -0.00000  -0.00000   2.07982
   A214       2.10019   0.00000   0.00001   0.00001   0.00002   2.10020
   A215       2.10317  -0.00000  -0.00001  -0.00001  -0.00002   2.10315
   A216       2.07993  -0.00000   0.00000  -0.00000  -0.00000   2.07993
   A217       2.10017   0.00000   0.00001   0.00001   0.00001   2.10019
   A218       2.10307  -0.00000  -0.00001  -0.00001  -0.00001   2.10306
   A219       2.10409   0.00000   0.00001   0.00000   0.00001   2.10410
   A220       2.09186  -0.00000  -0.00001  -0.00001  -0.00002   2.09184
   A221       2.08723   0.00000   0.00000   0.00000   0.00000   2.08723
   A222       2.11975  -0.00000  -0.00001  -0.00000  -0.00001   2.11974
   A223       2.08502   0.00000  -0.00000   0.00000  -0.00000   2.08501
   A224       2.07842   0.00000   0.00001   0.00000   0.00001   2.07843
   A225       2.05481  -0.00000  -0.00001  -0.00000  -0.00001   2.05481
   A226       2.11676  -0.00000  -0.00001  -0.00000  -0.00002   2.11675
   A227       2.11159   0.00000   0.00002   0.00000   0.00002   2.11162
   A228       2.05458  -0.00000  -0.00001   0.00000  -0.00001   2.05458
   A229       2.11716  -0.00000  -0.00001  -0.00000  -0.00002   2.11714
   A230       2.11142   0.00000   0.00002   0.00000   0.00002   2.11145
   A231       2.11984  -0.00000  -0.00001  -0.00000  -0.00001   2.11983
   A232       2.07826   0.00000   0.00001   0.00000   0.00001   2.07827
   A233       2.08509   0.00000  -0.00000   0.00000  -0.00000   2.08508
   A234       2.10416   0.00000   0.00001   0.00000   0.00001   2.10418
   A235       2.08715   0.00000   0.00000   0.00000   0.00000   2.08715
   A236       2.09186  -0.00000  -0.00001  -0.00001  -0.00002   2.09185
   A237       2.07978  -0.00000   0.00000  -0.00000  -0.00000   2.07978
   A238       2.10024   0.00000   0.00001   0.00001   0.00001   2.10026
   A239       2.10316  -0.00000  -0.00001  -0.00001  -0.00001   2.10314
   A240       2.01697  -0.00001   0.00008  -0.00001   0.00007   2.01704
   A241       1.84582  -0.00001   0.00002  -0.00004  -0.00002   1.84580
   A242       1.73107   0.00002  -0.00012  -0.00001  -0.00013   1.73094
   A243       2.02829   0.00002  -0.00007  -0.00003  -0.00009   2.02820
   A244       2.03073  -0.00001   0.00010   0.00002   0.00012   2.03085
   A245       1.77109   0.00000  -0.00003   0.00008   0.00005   1.77114
   A246       2.11459  -0.00002   0.00014  -0.00004   0.00009   2.11468
   A247       2.06284  -0.00000   0.00007  -0.00001   0.00006   2.06290
   A248       1.87739  -0.00000  -0.00010  -0.00001  -0.00010   1.87729
   A249       1.88111  -0.00000   0.00030   0.00003   0.00031   1.88143
   A250       1.89507   0.00000  -0.00002  -0.00001  -0.00004   1.89504
   A251       1.95475   0.00000   0.00003  -0.00001   0.00002   1.95476
   A252       1.95979  -0.00000  -0.00005  -0.00000  -0.00006   1.95973
   A253       1.89330   0.00000  -0.00014   0.00001  -0.00011   1.89319
   A254       1.91045   0.00000   0.00001   0.00001   0.00002   1.91047
   A255       1.93757  -0.00000   0.00001   0.00000   0.00001   1.93758
   A256       1.93715  -0.00000  -0.00002  -0.00000  -0.00003   1.93713
   A257       1.89097  -0.00000   0.00002  -0.00001   0.00001   1.89098
   A258       1.89058  -0.00000   0.00002  -0.00001   0.00001   1.89059
   A259       1.89592   0.00000  -0.00002   0.00000  -0.00002   1.89590
   A260       1.88142  -0.00000   0.00003  -0.00001   0.00002   1.88144
   A261       1.89022   0.00001  -0.00010   0.00007  -0.00003   1.89019
   A262       1.89448  -0.00000   0.00007  -0.00004   0.00003   1.89451
   A263       1.94741  -0.00000   0.00000  -0.00001  -0.00001   1.94740
   A264       1.95114   0.00000  -0.00001   0.00001  -0.00001   1.95113
   A265       1.89752  -0.00000   0.00001  -0.00002  -0.00001   1.89751
   A266       1.93704   0.00000  -0.00002   0.00000  -0.00002   1.93702
   A267       1.91349   0.00000  -0.00000   0.00001   0.00000   1.91349
   A268       1.93467  -0.00000   0.00002  -0.00001   0.00001   1.93468
   A269       1.89200  -0.00000   0.00000   0.00000   0.00000   1.89200
   A270       1.89328  -0.00000   0.00000  -0.00000  -0.00000   1.89328
   A271       1.89225  -0.00000   0.00000  -0.00000   0.00000   1.89225
   A272       1.92368   0.00001   0.00560   0.00010   0.00571   1.92939
   A273       1.62708  -0.00001  -0.00539  -0.00028  -0.00566   1.62142
   A274       1.73046  -0.00001   0.00073   0.00024   0.00097   1.73143
   A275       1.81315  -0.00002  -0.00032  -0.00028  -0.00060   1.81255
   A276       1.23463   0.00000   0.00064   0.00021   0.00085   1.23548
   A277       1.33893   0.00000  -0.00015  -0.00018  -0.00033   1.33860
   A278       0.55509  -0.00001  -0.00061  -0.00019  -0.00083   0.55427
    D1        0.01072   0.00000   0.00000   0.00003   0.00003   0.01074
    D2        3.11101  -0.00000   0.00001   0.00000   0.00001   3.11102
    D3       -3.13083   0.00000  -0.00003   0.00004   0.00002  -3.13081
    D4       -0.03054   0.00000  -0.00001   0.00002   0.00001  -0.03053
    D5       -0.03078   0.00000  -0.00005  -0.00005  -0.00010  -0.03088
    D6        3.10440   0.00000  -0.00008  -0.00002  -0.00010   3.10430
    D7        3.11077  -0.00000  -0.00002  -0.00007  -0.00009   3.11068
    D8       -0.03724   0.00000  -0.00005  -0.00004  -0.00009  -0.03734
    D9        2.49391   0.00000   0.00026   0.00020   0.00046   2.49437
   D10       -0.64850   0.00000   0.00024   0.00022   0.00046  -0.64804
   D11       -0.64763   0.00000   0.00023   0.00022   0.00045  -0.64718
   D12        2.49314   0.00000   0.00022   0.00024   0.00045   2.49360
   D13        0.03382  -0.00000   0.00006   0.00003   0.00008   0.03390
   D14       -3.02110  -0.00001   0.00021  -0.00008   0.00013  -3.02097
   D15       -3.06616   0.00000   0.00005   0.00005   0.00009  -3.06606
   D16        0.16212  -0.00001   0.00020  -0.00006   0.00014   0.16225
   D17       -0.05886   0.00000  -0.00007  -0.00006  -0.00012  -0.05898
   D18        3.04970  -0.00000  -0.00022  -0.00021  -0.00043   3.04927
   D19        3.00025   0.00001  -0.00021   0.00005  -0.00016   3.00009
   D20       -0.17437   0.00001  -0.00036  -0.00010  -0.00047  -0.17484
   D21       -2.91593   0.00002  -0.00004   0.00043   0.00039  -2.91553
   D22        0.35573   0.00001   0.00017   0.00043   0.00060   0.35633
   D23        0.31192   0.00001   0.00011   0.00032   0.00043   0.31235
   D24       -2.69961   0.00000   0.00032   0.00032   0.00064  -2.69897
   D25        0.03999  -0.00000   0.00002   0.00004   0.00005   0.04004
   D26       -3.11527   0.00000   0.00000   0.00003   0.00004  -3.11523
   D27       -3.06857   0.00000   0.00017   0.00019   0.00036  -3.06821
   D28        0.05936   0.00000   0.00016   0.00019   0.00034   0.05970
   D29       -0.38763  -0.00000   0.00026  -0.00011   0.00015  -0.38748
   D30        2.82671  -0.00001   0.00027  -0.00014   0.00013   2.82684
   D31        2.72082  -0.00001   0.00011  -0.00026  -0.00016   2.72066
   D32       -0.34802  -0.00001   0.00011  -0.00029  -0.00018  -0.34820
   D33        0.00563   0.00000   0.00004   0.00002   0.00006   0.00568
   D34       -3.12955  -0.00000   0.00007  -0.00001   0.00006  -3.12949
   D35       -3.12195  -0.00000   0.00006   0.00002   0.00008  -3.12187
   D36        0.02606  -0.00000   0.00009  -0.00001   0.00008   0.02614
   D37        0.13142  -0.00002   0.00020  -0.00031  -0.00011   0.13131
   D38       -2.91520  -0.00002   0.00046  -0.00018   0.00028  -2.91492
   D39       -3.13793  -0.00001  -0.00001  -0.00031  -0.00032  -3.13825
   D40        0.09864  -0.00001   0.00025  -0.00018   0.00007   0.09871
   D41        2.98523   0.00001  -0.00030   0.00014  -0.00016   2.98507
   D42       -0.07374   0.00001  -0.00023   0.00014  -0.00009  -0.07383
   D43       -0.02769   0.00001  -0.00008   0.00013   0.00005  -0.02764
   D44       -3.08666   0.00000  -0.00001   0.00013   0.00012  -3.08654
   D45       -0.65949   0.00001  -0.00029   0.00010  -0.00019  -0.65967
   D46       -3.01250   0.00002  -0.00044   0.00005  -0.00039  -3.01289
   D47        1.17881  -0.00001  -0.00029   0.00008  -0.00021   1.17860
   D48        2.38303   0.00001  -0.00056  -0.00004  -0.00059   2.38243
   D49        0.03001   0.00002  -0.00071  -0.00008  -0.00079   0.02922
   D50       -2.06187  -0.00001  -0.00055  -0.00006  -0.00061  -2.06248
   D51       -0.09492   0.00001  -0.00024   0.00009  -0.00015  -0.09507
   D52        3.01934   0.00001  -0.00020   0.00006  -0.00014   3.01920
   D53       -3.13754   0.00001   0.00002   0.00023   0.00025  -3.13729
   D54       -0.02328   0.00000   0.00007   0.00020   0.00026  -0.02302
   D55        0.78074   0.00000   0.00004   0.00012   0.00016   0.78090
   D56       -2.43777   0.00000   0.00004   0.00014   0.00018  -2.43759
   D57       -3.13082  -0.00000   0.00016   0.00018   0.00034  -3.13048
   D58       -0.06615  -0.00000   0.00016   0.00020   0.00036  -0.06579
   D59       -1.16784   0.00001   0.00014   0.00012   0.00026  -1.16758
   D60        1.89684   0.00001   0.00013   0.00014   0.00027   1.89711
   D61        2.37725  -0.00001   0.00049  -0.00013   0.00036   2.37761
   D62       -1.11708   0.00001   0.00048   0.00021   0.00069  -1.11639
   D63        0.05810  -0.00001   0.00040  -0.00015   0.00024   0.05835
   D64        2.84696   0.00001   0.00039   0.00018   0.00058   2.84753
   D65        2.40456  -0.00001  -0.00126  -0.00050  -0.00177   2.40279
   D66        1.84390  -0.00000  -0.00081  -0.00038  -0.00117   1.84273
   D67       -1.88089  -0.00001  -0.00132  -0.00054  -0.00187  -1.88275
   D68       -2.44155  -0.00001  -0.00087  -0.00041  -0.00127  -2.44282
   D69        3.10281   0.00001  -0.00037  -0.00006  -0.00044   3.10237
   D70        0.04073   0.00001  -0.00037  -0.00009  -0.00045   0.04028
   D71       -0.04917   0.00000  -0.00010   0.00001  -0.00009  -0.04926
   D72        3.13200   0.00000  -0.00007   0.00003  -0.00003   3.13197
   D73        3.01029   0.00000  -0.00017   0.00001  -0.00016   3.01013
   D74       -0.09172   0.00000  -0.00013   0.00003  -0.00010  -0.09182
   D75        0.05465  -0.00001   0.00011  -0.00010   0.00001   0.05465
   D76       -3.10878  -0.00001   0.00008  -0.00009  -0.00001  -3.10879
   D77       -3.12678  -0.00000   0.00008  -0.00013  -0.00005  -3.12683
   D78       -0.00702  -0.00000   0.00005  -0.00011  -0.00006  -0.00709
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   D302      -3.11382   0.00000  -0.00004   0.00002  -0.00001  -3.11383
   D303       0.01748   0.00000  -0.00010   0.00002  -0.00009   0.01739
   D304      -3.12209   0.00000   0.00002   0.00002   0.00004  -3.12205
   D305       0.01287   0.00000   0.00003   0.00003   0.00006   0.01294
   D306      -0.01668  -0.00000   0.00007  -0.00002   0.00005  -0.01663
   D307       3.11828  -0.00000   0.00008  -0.00000   0.00008   3.11835
   D308       0.00216   0.00000  -0.00001   0.00000  -0.00001   0.00215
   D309      -3.12724  -0.00000   0.00010  -0.00000   0.00010  -3.12714
   D310      -3.12706  -0.00000   0.00007   0.00001   0.00008  -3.12698
   D311       0.02672  -0.00000   0.00018   0.00001   0.00019   0.02691
   D312      -0.00552  -0.00000   0.00007  -0.00001   0.00006  -0.00546
   D313       3.14094  -0.00000   0.00004   0.00000   0.00005   3.14098
   D314       3.12247  -0.00000  -0.00002  -0.00002  -0.00004   3.12243
   D315      -0.01426   0.00000  -0.00004  -0.00001  -0.00005  -0.01431
   D316      -0.00178  -0.00000   0.00001  -0.00000   0.00001  -0.00177
   D317      -3.11402   0.00000  -0.00001   0.00001   0.00000  -3.11402
   D318       3.12967   0.00000  -0.00008   0.00000  -0.00008   3.12959
   D319       0.01743   0.00000  -0.00010   0.00002  -0.00009   0.01735
   D320       3.12269   0.00000  -0.00005  -0.00000  -0.00006   3.12263
   D321      -0.01404   0.00000  -0.00009   0.00001  -0.00008  -0.01412
   D322      -0.00550  -0.00000   0.00007  -0.00001   0.00006  -0.00544
   D323       3.14096  -0.00000   0.00004   0.00000   0.00004   3.14100
   D324      -3.12227  -0.00000   0.00004   0.00000   0.00004  -3.12223
   D325       0.01273  -0.00000   0.00006   0.00001   0.00007   0.01279
   D326      -0.01664  -0.00000   0.00007  -0.00002   0.00006  -0.01659
   D327       3.11836  -0.00000   0.00009  -0.00001   0.00008   3.11844
   D328       0.00673  -0.00000   0.00004   0.00002   0.00006   0.00678
   D329      -3.14004   0.00000   0.00001   0.00002   0.00003  -3.14001
   D330      -3.12995   0.00000   0.00002   0.00003   0.00005  -3.12990
   D331       0.00647   0.00000  -0.00001   0.00004   0.00003   0.00650
   D332      -0.00733  -0.00000   0.00000  -0.00002  -0.00001  -0.00735
   D333       3.13112  -0.00000  -0.00001  -0.00003  -0.00004   3.13108
   D334       3.13942  -0.00000   0.00003  -0.00002   0.00001   3.13943
   D335      -0.00532  -0.00000   0.00002  -0.00003  -0.00002  -0.00533
   D336      -0.00472  -0.00000  -0.00003  -0.00002  -0.00005  -0.00476
   D337       3.13005   0.00000  -0.00004  -0.00002  -0.00007   3.12998
   D338       3.14001   0.00000  -0.00002  -0.00001  -0.00002   3.13998
   D339      -0.00842   0.00000  -0.00003  -0.00001  -0.00004  -0.00846
   D340      -0.00471  -0.00000  -0.00003  -0.00002  -0.00005  -0.00475
   D341       3.14049   0.00000  -0.00002  -0.00001  -0.00002   3.14047
   D342       3.12927   0.00000  -0.00003  -0.00002  -0.00005   3.12922
   D343      -0.00872   0.00000  -0.00002  -0.00001  -0.00003  -0.00875
   D344      -0.00754  -0.00000   0.00001  -0.00002  -0.00001  -0.00755
   D345       3.13967  -0.00000   0.00004  -0.00002   0.00002   3.13969
   D346       3.13044  -0.00000  -0.00000  -0.00003  -0.00003   3.13041
   D347      -0.00554  -0.00000   0.00003  -0.00003  -0.00001  -0.00555
   D348       0.00689  -0.00000   0.00004   0.00001   0.00005   0.00694
   D349      -3.12956   0.00000   0.00002   0.00003   0.00005  -3.12951
   D350      -3.14034   0.00000   0.00001   0.00002   0.00003  -3.14031
   D351       0.00641   0.00000  -0.00001   0.00003   0.00003   0.00643
   D352       0.00664  -0.00000  -0.00000  -0.00000  -0.00000   0.00663
   D353      -3.14010   0.00000  -0.00001   0.00001   0.00000  -3.14010
   D354      -3.12995   0.00000  -0.00003   0.00000  -0.00003  -3.12998
   D355       0.00649   0.00000  -0.00003   0.00001  -0.00002   0.00647
   D356      -0.00732  -0.00000   0.00003   0.00000   0.00003  -0.00728
   D357       3.13114  -0.00000   0.00003  -0.00001   0.00003   3.13116
   D358       3.13941  -0.00000   0.00004  -0.00001   0.00003   3.13944
   D359      -0.00532  -0.00000   0.00004  -0.00002   0.00002  -0.00530
   D360      -0.00464  -0.00000   0.00001  -0.00000   0.00000  -0.00464
   D361       3.13023   0.00000   0.00003   0.00001   0.00003   3.13026
   D362       3.14008   0.00000   0.00001   0.00000   0.00001   3.14009
   D363      -0.00824   0.00000   0.00003   0.00002   0.00004  -0.00819
   D364      -0.00466  -0.00000   0.00000  -0.00001  -0.00000  -0.00466
   D365       3.14053   0.00000   0.00000   0.00000   0.00001   3.14053
   D366       3.12933   0.00000   0.00003   0.00000   0.00003   3.12935
   D367      -0.00867   0.00000   0.00003   0.00001   0.00003  -0.00863
   D368      -0.00751  -0.00000   0.00003   0.00000   0.00004  -0.00748
   D369       3.13962  -0.00000   0.00004  -0.00001   0.00003   3.13965
   D370       3.13047  -0.00000   0.00003  -0.00001   0.00003   3.13049
   D371      -0.00558  -0.00000   0.00004  -0.00002   0.00002  -0.00556
   D372       0.00685  -0.00000   0.00000  -0.00000  -0.00000   0.00685
   D373      -3.12966   0.00000  -0.00003   0.00001  -0.00002  -3.12968
   D374      -3.14030   0.00000  -0.00000   0.00001   0.00001  -3.14030
   D375       0.00637   0.00000  -0.00003   0.00002  -0.00001   0.00636
   D376      -0.00641   0.00000  -0.00000   0.00000  -0.00000  -0.00642
   D377       3.14025  -0.00000   0.00001  -0.00001   0.00000   3.14025
   D378       3.13030  -0.00000   0.00003  -0.00001   0.00002   3.13032
   D379      -0.00622  -0.00000   0.00004  -0.00002   0.00002  -0.00620
   D380       0.00707   0.00000  -0.00003   0.00000  -0.00003   0.00704
   D381      -3.13130   0.00000  -0.00003   0.00001  -0.00002  -3.13132
   D382      -3.13958   0.00000  -0.00004   0.00001  -0.00003  -3.13961
   D383       0.00523   0.00000  -0.00004   0.00002  -0.00002   0.00521
   D384       0.00445   0.00000  -0.00000   0.00000   0.00000   0.00445
   D385      -3.13057  -0.00000  -0.00002   0.00000  -0.00002  -3.13059
   D386      -3.14035   0.00000  -0.00001  -0.00000  -0.00001  -3.14036
   D387       0.00781  -0.00000  -0.00002  -0.00001  -0.00003   0.00778
   D388       0.00446   0.00000  -0.00000   0.00001   0.00000   0.00447
   D389      -3.14026  -0.00000  -0.00000  -0.00000  -0.00000  -3.14026
   D390      -3.13052  -0.00000  -0.00001  -0.00000  -0.00002  -3.13054
   D391       0.00794  -0.00000  -0.00001  -0.00001  -0.00002   0.00792
   D392       0.00708   0.00000  -0.00003   0.00000  -0.00003   0.00705
   D393      -3.13951   0.00000  -0.00004   0.00001  -0.00003  -3.13953
   D394      -3.13137   0.00000  -0.00003   0.00001  -0.00003  -3.13139
   D395       0.00523   0.00000  -0.00004   0.00002  -0.00002   0.00521
   D396      -0.00642   0.00000  -0.00000   0.00000  -0.00000  -0.00643
   D397       3.13030  -0.00000   0.00002  -0.00001   0.00001   3.13031
   D398       3.14018  -0.00000   0.00000  -0.00001  -0.00001   3.14017
   D399      -0.00628  -0.00000   0.00003  -0.00002   0.00000  -0.00628
   D400       1.61908   0.00000   0.00033   0.00091   0.00124   1.62032
   D401      -0.64451   0.00002   0.00025   0.00099   0.00124  -0.64327
   D402      -2.86484   0.00002   0.00019   0.00092   0.00111  -2.86373
   D403      -3.09000  -0.00001   0.00050  -0.00042   0.00008  -3.08992
   D404      -0.91526  -0.00002   0.00056  -0.00043   0.00013  -0.91512
   D405       1.30349  -0.00000   0.00052  -0.00039   0.00012   1.30361
   D406       2.75215   0.00000   0.00496  -0.00055   0.00441   2.75656
   D407      -1.42024  -0.00000   0.00510  -0.00055   0.00455  -1.41570
   D408       0.62734   0.00000   0.00509  -0.00053   0.00457   0.63191
   D409       2.98155   0.00003  -0.00300   0.00212  -0.00088   2.98067
   D410      -1.19214   0.00003  -0.00304   0.00214  -0.00090  -1.19304
   D411       0.86513   0.00003  -0.00304   0.00214  -0.00090   0.86423
   D412       3.11608  -0.00000   0.00044  -0.00001   0.00042   3.11651
   D413      -1.08040  -0.00000   0.00047  -0.00002   0.00045  -1.07994
   D414       1.03013  -0.00000   0.00043  -0.00002   0.00041   1.03054
   D415       1.05221   0.00000   0.00012  -0.00004   0.00009   1.05230
   D416       3.13891   0.00000   0.00015  -0.00004   0.00012   3.13903
   D417      -1.03375   0.00000   0.00011  -0.00004   0.00008  -1.03367
   D418      -1.08312  -0.00000   0.00032  -0.00004   0.00027  -1.08285
   D419       1.00358  -0.00000   0.00035  -0.00004   0.00030   1.00389
   D420       3.11411  -0.00000   0.00031  -0.00004   0.00026   3.11437
   D421       1.28633  -0.00000  -0.00317  -0.00058  -0.00377   1.28256
   D422      -2.93519  -0.00001  -0.00309  -0.00059  -0.00369  -2.93888
   D423      -0.76241  -0.00001  -0.00324  -0.00059  -0.00383  -0.76624
   D424      -1.40671  -0.00000  -0.00200   0.00031  -0.00170  -1.40841
   D425       2.80286  -0.00000  -0.00183   0.00033  -0.00151   2.80135
   D426       0.63308  -0.00000  -0.00173   0.00034  -0.00141   0.63167
   D427       1.04461   0.00000  -0.00043   0.00024  -0.00019   1.04442
   D428       3.13421   0.00000  -0.00044   0.00025  -0.00020   3.13401
   D429      -1.06054   0.00000  -0.00043   0.00025  -0.00019  -1.06073
   D430      -1.02869  -0.00000  -0.00033   0.00017  -0.00016  -1.02885
   D431       1.06091  -0.00000  -0.00034   0.00017  -0.00017   1.06074
   D432      -3.13384  -0.00000  -0.00033   0.00017  -0.00016  -3.13400
   D433       3.12533  -0.00000  -0.00033   0.00019  -0.00014   3.12518
   D434      -1.06826   0.00000  -0.00035   0.00020  -0.00015  -1.06841
   D435       1.02017   0.00000  -0.00034   0.00019  -0.00014   1.02003
   D436      -1.35534   0.00002   0.00290   0.00114   0.00405  -1.35129
   D437      -1.25419   0.00000   0.00226   0.00085   0.00313  -1.25106
   D438       0.41840   0.00000   0.00122   0.00025   0.00149   0.41988
   D439       1.09083   0.00001   0.00155   0.00063   0.00217   1.09300
   D440       0.91332   0.00001   0.00120   0.00044   0.00163   0.91496
   D441      -0.39197   0.00000  -0.00015  -0.00021  -0.00037  -0.39234
         Item               Value     Threshold  Converged?
 Maximum Force            0.000083     0.000450     YES
 RMS     Force            0.000008     0.000300     YES
 Maximum Displacement     0.015998     0.001800     NO 
 RMS     Displacement     0.002375     0.001200     NO 
 Predicted change in Energy=-3.973613D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.833445    2.897556    0.555474
      2          6           0       -2.066272    1.522246    0.685285
      3          6           0       -1.018050    0.594866    0.724160
      4          6           0        0.308668    1.070146    0.671112
      5          6           0        0.550835    2.440135    0.510056
      6          6           0       -0.501520    3.341006    0.449496
      7          6           0       -1.236269   -0.865565    0.711063
      8          6           0       -0.169550   -1.744175    1.026211
      9          6           0        1.120617   -1.159073    1.535006
     10          6           0        1.434387    0.134708    0.826763
     11          6           0       -2.439621   -1.403631    0.241464
     12          6           0       -2.619445   -2.778234    0.039950
     13          6           0       -1.520760   -3.618433    0.268597
     14          6           0       -0.319615   -3.105744    0.742140
     15          7           0        2.229476   -2.050697    1.690358
     16          6           0        3.524074   -1.641266    1.248813
     17          6           0        3.672740   -0.378723    0.631543
     18          7           0        2.609430    0.488302    0.439104
     19          6           0        4.663812   -2.454496    1.348550
     20          6           0        5.895780   -2.016635    0.878423
     21          6           0        6.062546   -0.756832    0.275521
     22          6           0        4.924735    0.040358    0.160122
     23          6           0       -2.961006    3.860329    0.530496
     24          6           0       -3.913392   -3.312342   -0.447478
     25          6           0        7.383427   -0.301544   -0.219877
     26          6           0       -3.964744   -4.381408   -1.358006
     27          6           0       -5.178832   -4.877218   -1.822453
     28          6           0       -6.384793   -4.325941   -1.370574
     29          6           0       -6.350712   -3.266371   -0.455055
     30          6           0       -5.131477   -2.764563   -0.010518
     31          6           0       -2.852236    5.118612    1.147059
     32          6           0       -3.909565    6.022899    1.136582
     33          6           0       -5.107656    5.699195    0.487152
     34          6           0       -5.228545    4.453213   -0.141271
     35          6           0       -4.172490    3.547988   -0.109653
     36          6           0        8.296829   -1.203716   -0.791197
     37          6           0        9.533942   -0.778161   -1.265369
     38          6           0        9.901350    0.569518   -1.165366
     39          6           0        9.005502    1.480299   -0.591268
     40          6           0        7.764315    1.048430   -0.134306
     41          7           0       -6.184840    6.621612    0.465033
     42          7           0       -7.624699   -4.834539   -1.834434
     43          7           0       11.165218    1.006581   -1.639679
     44          6           0       -8.030578   -6.174616   -1.787648
     45          6           0       -9.328911   -6.282259   -2.347648
     46          6           0       -9.724039   -4.949343   -2.752790
     47          6           0       -8.651702   -4.083051   -2.420492
     48          6           0       -7.497405    6.359465    0.878560
     49          6           0       -8.278582    7.529531    0.700790
     50          6           0       -7.400191    8.542420    0.153653
     51          6           0       -6.118736    7.949314    0.023035
     52          6           0       11.382807    2.037285   -2.562744
     53          6           0       12.777416    2.173268   -2.781189
     54          6           0       13.431233    1.182610   -1.951780
     55          6           0       12.408004    0.481592   -1.264069
     56          6           0      -10.867295   -4.427384   -3.368775
     57          6           0      -10.924723   -3.065573   -3.649128
     58          6           0       -9.846865   -2.223801   -3.326612
     59          6           0       -8.697644   -2.717161   -2.712831
     60          6           0       -7.366407   -7.286279   -1.261954
     61          6           0       -8.014540   -8.517897   -1.324301
     62          6           0       -9.294653   -8.645012   -1.889570
     63          6           0       -9.957151   -7.531918   -2.398090
     64          6           0       -7.588712    9.871791   -0.241484
     65          6           0       -6.512371   10.583622   -0.762304
     66          6           0       -5.252821    9.975837   -0.898577
     67          6           0       -5.037607    8.654641   -0.512648
     68          6           0       -8.040171    5.194062    1.426793
     69          6           0       -9.388481    5.209381    1.776971
     70          6           0      -10.180670    6.355363    1.593570
     71          6           0       -9.631076    7.517459    1.060717
     72          6           0       14.770502    0.843714   -1.727087
     73          6           0       15.070855   -0.173008   -0.825640
     74          6           0       14.045148   -0.847705   -0.142047
     75          6           0       12.704145   -0.530919   -0.347278
     76          6           0       10.454943    2.830903   -3.242884
     77          6           0       10.945970    3.781728   -4.134788
     78          6           0       12.325232    3.939631   -4.352536
     79          6           0       13.243716    3.137085   -3.682682
     80          8           0        0.755369   -3.514726    3.473746
     81         15           0        2.088913   -3.346873    2.868768
     82          8           0        3.309038   -3.141774    3.889452
     83          8           0        2.625585   -4.571011    1.969424
     84          6           0        3.145392   -2.366254    5.118289
     85          6           0        4.229093   -2.803575    6.082563
     86          6           0        2.620104   -5.907926    2.551703
     87          6           0        2.945700   -6.894814    1.448863
     88          1           0       -3.087810    1.176414    0.796287
     89          1           0        1.578824    2.778235    0.447205
     90          1           0       -0.296263    4.397977    0.313056
     91          1           0       -3.238404   -0.731281   -0.048949
     92          1           0       -1.608550   -4.685891    0.094934
     93          1           0        0.512162   -3.784040    0.863854
     94          1           0        4.602349   -3.436224    1.790633
     95          1           0        6.754348   -2.668929    1.003394
     96          1           0        4.958406    1.009390   -0.325735
     97          1           0       -3.040881   -4.803853   -1.740562
     98          1           0       -5.199538   -5.678651   -2.553272
     99          1           0       -7.281809   -2.855972   -0.078973
    100          1           0       -5.123952   -1.962554    0.721088
    101          1           0       -1.941732    5.376158    1.678925
    102          1           0       -3.820907    6.974757    1.649360
    103          1           0       -6.143298    4.209573   -0.671108
    104          1           0       -4.274853    2.599080   -0.626908
    105          1           0        8.019629   -2.247246   -0.904237
    106          1           0       10.212361   -1.482538   -1.735045
    107          1           0        9.295927    2.520313   -0.486440
    108          1           0        7.094223    1.764214    0.331545
    109          1           0      -11.696621   -5.079154   -3.628313
    110          1           0      -11.806636   -2.648522   -4.125329
    111          1           0       -9.906565   -1.165341   -3.562264
    112          1           0       -7.866317   -2.062233   -2.477214
    113          1           0       -6.383359   -7.195438   -0.813703
    114          1           0       -7.517952   -9.396531   -0.923213
    115          1           0       -9.771027   -9.619891   -1.924049
    116          1           0      -10.951355   -7.629289   -2.824736
    117          1           0       -8.564680   10.339172   -0.146524
    118          1           0       -6.645692   11.615823   -1.071017
    119          1           0       -4.427413   10.544786   -1.316260
    120          1           0       -4.064978    8.190386   -0.631057
    121          1           0       -7.433560    4.308942    1.582226
    122          1           0       -9.833122    4.315263    2.203931
    123          1           0      -11.228785    6.333144    1.875467
    124          1           0      -10.241608    8.406292    0.929581
    125          1           0       15.564671    1.371712   -2.247190
    126          1           0       16.105798   -0.445769   -0.643877
    127          1           0       14.300192   -1.631896    0.564732
    128          1           0       11.919217   -1.049503    0.191809
    129          1           0        9.388709    2.708791   -3.088417
    130          1           0       10.244437    4.411254   -4.674243
    131          1           0       12.674592    4.691640   -5.053219
    132          1           0       14.309220    3.252896   -3.859559
    133          1           0        3.230601   -1.308018    4.859262
    134          1           0        2.142694   -2.546418    5.512601
    135          1           0        4.151061   -2.222453    7.006805
    136          1           0        4.127194   -3.863412    6.332682
    137          1           0        5.222560   -2.639299    5.656020
    138          1           0        3.366931   -5.937469    3.351948
    139          1           0        1.633250   -6.094560    2.985381
    140          1           0        3.926924   -6.686174    1.013854
    141          1           0        2.957154   -7.910665    1.855978
    142          1           0        2.197285   -6.849992    0.653140
    143         17           0        0.735076   -0.361793    3.400770
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177770           0.0074045           0.0058215
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13524.5932190172 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.75D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000108    0.000005   -0.000027 Ang=   0.01 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -4306.68069388     A.U. after    7 cycles
            NFock=  7  Conv=0.60D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000034157   -0.000049130    0.000001643
      2        6          -0.000030010    0.000031153    0.000011427
      3        6           0.000035454   -0.000013997   -0.000008825
      4        6          -0.000049200   -0.000005977   -0.000007025
      5        6          -0.000003547    0.000014973    0.000015308
      6        6           0.000016500    0.000002486   -0.000004595
      7        6           0.000036899    0.000023389    0.000004607
      8        6           0.000035375    0.000070767    0.000005820
      9        6          -0.000035119   -0.000115794   -0.000022648
     10        6           0.000000153    0.000042620    0.000005428
     11        6          -0.000008467   -0.000048722   -0.000021741
     12        6          -0.000039323    0.000037259    0.000000691
     13        6           0.000052760    0.000010501    0.000012727
     14        6          -0.000030361   -0.000055844    0.000005677
     15        7           0.000070994    0.000065438    0.000044174
     16        6          -0.000057377   -0.000031203   -0.000019446
     17        6          -0.000143414    0.000049892    0.000002674
     18        7           0.000119372   -0.000061428    0.000012574
     19        6           0.000038714    0.000001961   -0.000019067
     20        6          -0.000009256   -0.000029460    0.000023628
     21        6          -0.000049250    0.000020058   -0.000005589
     22        6           0.000060467    0.000000172   -0.000012774
     23        6          -0.000042550    0.000020430   -0.000002733
     24        6          -0.000001474    0.000001611    0.000003150
     25        6           0.000021118    0.000015339   -0.000002241
     26        6          -0.000000795   -0.000004704   -0.000001761
     27        6           0.000007004    0.000000495    0.000004928
     28        6          -0.000020290   -0.000008239    0.000003183
     29        6           0.000001453    0.000002259   -0.000004149
     30        6           0.000006492    0.000000426   -0.000005633
     31        6           0.000002017   -0.000006330   -0.000000803
     32        6           0.000005217    0.000004895   -0.000008285
     33        6          -0.000008841   -0.000000714   -0.000004577
     34        6          -0.000007415   -0.000000187    0.000011298
     35        6           0.000015138    0.000002576    0.000003791
     36        6          -0.000003854    0.000002178   -0.000008277
     37        6           0.000001712   -0.000003892    0.000009358
     38        6           0.000002918    0.000009052   -0.000000009
     39        6           0.000002560    0.000001475   -0.000012148
     40        6          -0.000001477   -0.000010032    0.000007592
     41        7           0.000017741   -0.000010798    0.000003647
     42        7           0.000028530    0.000022986   -0.000006611
     43        7          -0.000017078   -0.000015022    0.000005689
     44        6          -0.000003061   -0.000022807    0.000001528
     45        6          -0.000014638    0.000007450    0.000027807
     46        6           0.000019258   -0.000002605   -0.000024140
     47        6          -0.000015950    0.000002389   -0.000000124
     48        6          -0.000012998   -0.000008356   -0.000011994
     49        6           0.000009650    0.000011152    0.000018089
     50        6          -0.000001135   -0.000014972   -0.000017375
     51        6          -0.000002806    0.000018794    0.000009913
     52        6          -0.000001454    0.000021189    0.000002686
     53        6           0.000004191   -0.000018902   -0.000011574
     54        6          -0.000012048    0.000016826    0.000015847
     55        6           0.000018426   -0.000008057   -0.000006878
     56        6          -0.000006429   -0.000001546    0.000014812
     57        6           0.000003552    0.000001879   -0.000001435
     58        6          -0.000002836   -0.000001485    0.000001863
     59        6           0.000000452   -0.000003243   -0.000000360
     60        6          -0.000001897    0.000003503   -0.000003290
     61        6          -0.000001146   -0.000002265   -0.000003536
     62        6           0.000002458    0.000001572    0.000005330
     63        6           0.000005808    0.000001364   -0.000013629
     64        6           0.000000510    0.000002691    0.000010131
     65        6           0.000001092   -0.000001772   -0.000003092
     66        6          -0.000001755    0.000001042    0.000001843
     67        6          -0.000003104   -0.000002829   -0.000000751
     68        6          -0.000000355    0.000003790   -0.000000129
     69        6          -0.000001814    0.000000807   -0.000001727
     70        6           0.000002065   -0.000000426    0.000003555
     71        6          -0.000001401   -0.000002217   -0.000011521
     72        6           0.000001631   -0.000006783   -0.000011574
     73        6          -0.000002230    0.000000564    0.000003987
     74        6           0.000002667    0.000000436   -0.000002220
     75        6          -0.000002059    0.000003316   -0.000003486
     76        6           0.000003296   -0.000003141   -0.000000803
     77        6           0.000002120    0.000002548    0.000000630
     78        6          -0.000001225   -0.000003222   -0.000002558
     79        6          -0.000000602    0.000005878    0.000008312
     80        8          -0.000012178    0.000011886   -0.000014154
     81       15           0.000039507   -0.000000071    0.000042241
     82        8           0.000060495   -0.000018948   -0.000121415
     83        8          -0.000085139   -0.000050524   -0.000044564
     84        6          -0.000060080    0.000054329    0.000132623
     85        6           0.000001333   -0.000003346   -0.000014984
     86        6           0.000043202    0.000017804    0.000020199
     87        6           0.000012472    0.000005933    0.000004563
     88        1           0.000000076   -0.000001787   -0.000005059
     89        1           0.000000130   -0.000001925   -0.000003809
     90        1          -0.000002432   -0.000000089    0.000004553
     91        1           0.000002078    0.000007553    0.000002699
     92        1           0.000000371   -0.000000944    0.000003352
     93        1          -0.000004361   -0.000004574    0.000003783
     94        1          -0.000001594    0.000004065   -0.000005542
     95        1           0.000002873    0.000001102   -0.000005666
     96        1          -0.000003396    0.000002401    0.000001938
     97        1          -0.000000938   -0.000002610    0.000000519
     98        1           0.000000479   -0.000000099   -0.000001599
     99        1          -0.000001000    0.000000124    0.000001540
    100        1          -0.000002682    0.000000246    0.000000084
    101        1          -0.000000675    0.000002726   -0.000000588
    102        1           0.000000122   -0.000000876    0.000002629
    103        1           0.000000777   -0.000000481   -0.000002768
    104        1          -0.000002713   -0.000002019    0.000000532
    105        1           0.000001605   -0.000001856    0.000002811
    106        1          -0.000000206   -0.000000467   -0.000002313
    107        1           0.000000254    0.000000478    0.000002871
    108        1          -0.000001929    0.000000925   -0.000002156
    109        1           0.000001066   -0.000000012   -0.000002613
    110        1          -0.000001592   -0.000000459    0.000002330
    111        1           0.000001030    0.000000194   -0.000001513
    112        1           0.000001124    0.000000989    0.000000160
    113        1           0.000000445    0.000000151    0.000001751
    114        1          -0.000000628    0.000000123    0.000001921
    115        1           0.000000756   -0.000000263   -0.000002853
    116        1          -0.000000966   -0.000000613    0.000001961
    117        1          -0.000000556   -0.000000844   -0.000001276
    118        1           0.000000176    0.000001035    0.000002399
    119        1           0.000000433   -0.000000638   -0.000001323
    120        1           0.000000580    0.000000420   -0.000001803
    121        1           0.000000448   -0.000000516    0.000002364
    122        1           0.000000707   -0.000000175    0.000001286
    123        1          -0.000000837   -0.000000908   -0.000002619
    124        1           0.000000180    0.000000966    0.000001976
    125        1          -0.000000589    0.000001929    0.000001836
    126        1           0.000000749   -0.000001833   -0.000002537
    127        1          -0.000000650    0.000000385    0.000001071
    128        1          -0.000000608    0.000000469    0.000002957
    129        1          -0.000000984   -0.000000305   -0.000001138
    130        1          -0.000000451   -0.000001162   -0.000001067
    131        1          -0.000000492    0.000001821    0.000001980
    132        1           0.000000329   -0.000000955   -0.000000922
    133        1          -0.000004527   -0.000025454   -0.000003161
    134        1           0.000033721   -0.000031198    0.000004727
    135        1           0.000000309    0.000001624    0.000004333
    136        1          -0.000001816    0.000002270    0.000001040
    137        1          -0.000000821    0.000000853    0.000001276
    138        1          -0.000013018   -0.000003557    0.000011827
    139        1          -0.000005250   -0.000004888   -0.000014218
    140        1           0.000001105   -0.000000950    0.000000117
    141        1          -0.000000985   -0.000000615   -0.000000852
    142        1          -0.000000049    0.000001552   -0.000000377
    143       17          -0.000034673    0.000056125   -0.000025572
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000143414 RMS     0.000021689

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000115996 RMS     0.000008754
 Search for a local minimum.
 Step number  37 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   20   21   22   23   24
                                                     25   26   27   28   29
                                                     30   31   32   33   34
                                                     35   36   37
 DE= -6.51D-07 DEPred=-3.97D-07 R= 1.64D+00
 Trust test= 1.64D+00 RLast= 2.23D-02 DXMaxT set to 6.22D-01
 ITU=  0  1  0  0  0  0  0  0  1  0  1 -1  1  1  1  1  1  1 -1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00040   0.00135   0.00289   0.00418   0.00422
     Eigenvalues ---    0.00596   0.00699   0.00786   0.01262   0.01633
     Eigenvalues ---    0.02075   0.02228   0.02573   0.02590   0.02625
     Eigenvalues ---    0.02643   0.02700   0.02706   0.02708   0.02714
     Eigenvalues ---    0.02721   0.02726   0.02728   0.02730   0.02731
     Eigenvalues ---    0.02740   0.02750   0.02764   0.02769   0.02771
     Eigenvalues ---    0.02774   0.02774   0.02778   0.02780   0.02785
     Eigenvalues ---    0.02786   0.02789   0.02789   0.02791   0.02791
     Eigenvalues ---    0.02792   0.02792   0.02792   0.02794   0.02794
     Eigenvalues ---    0.02795   0.02800   0.02801   0.02802   0.02803
     Eigenvalues ---    0.02804   0.02806   0.02807   0.02808   0.02808
     Eigenvalues ---    0.02808   0.02809   0.02811   0.02813   0.02817
     Eigenvalues ---    0.02817   0.02818   0.02818   0.02818   0.02819
     Eigenvalues ---    0.02820   0.02822   0.02829   0.02834   0.02841
     Eigenvalues ---    0.02844   0.02845   0.02845   0.02846   0.02847
     Eigenvalues ---    0.02848   0.02849   0.02861   0.02862   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02869   0.02872   0.02873
     Eigenvalues ---    0.02873   0.02876   0.02877   0.02878   0.02878
     Eigenvalues ---    0.02879   0.02880   0.02883   0.02884   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02886   0.02886
     Eigenvalues ---    0.02887   0.02891   0.02892   0.02894   0.02896
     Eigenvalues ---    0.02897   0.02898   0.02899   0.02899   0.02899
     Eigenvalues ---    0.02902   0.02908   0.02909   0.02910   0.02935
     Eigenvalues ---    0.02942   0.02950   0.03024   0.03025   0.03025
     Eigenvalues ---    0.03076   0.03123   0.03132   0.03134   0.03134
     Eigenvalues ---    0.03150   0.03158   0.03241   0.03358   0.03581
     Eigenvalues ---    0.03959   0.04045   0.04741   0.05376   0.05566
     Eigenvalues ---    0.05579   0.05619   0.05726   0.05746   0.06011
     Eigenvalues ---    0.07464   0.08545   0.09393   0.10508   0.11006
     Eigenvalues ---    0.11431   0.11727   0.12628   0.13655   0.15211
     Eigenvalues ---    0.15609   0.15815   0.15883   0.15921   0.15959
     Eigenvalues ---    0.15971   0.15983   0.15986   0.15986   0.15987
     Eigenvalues ---    0.15988   0.15991   0.15995   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15998   0.15998
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16003   0.16003   0.16005
     Eigenvalues ---    0.16010   0.16013   0.16058   0.16094   0.16106
     Eigenvalues ---    0.16239   0.16790   0.17321   0.18835   0.19987
     Eigenvalues ---    0.20897   0.21987   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22002   0.22003
     Eigenvalues ---    0.22010   0.22363   0.22421   0.22526   0.22600
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22604   0.22694
     Eigenvalues ---    0.22947   0.22966   0.22996   0.23173   0.23256
     Eigenvalues ---    0.23443   0.23515   0.23704   0.23971   0.23997
     Eigenvalues ---    0.24200   0.24477   0.24486   0.24489   0.24490
     Eigenvalues ---    0.24525   0.24534   0.24772   0.24896   0.24982
     Eigenvalues ---    0.24984   0.24984   0.24985   0.24986   0.24989
     Eigenvalues ---    0.24990   0.24997   0.24999   0.25000   0.25000
     Eigenvalues ---    0.25002   0.25005   0.25015   0.25029   0.25054
     Eigenvalues ---    0.25104   0.25118   0.25446   0.26311   0.27826
     Eigenvalues ---    0.28227   0.28997   0.29787   0.29807   0.30197
     Eigenvalues ---    0.32017   0.32099   0.32129   0.32142   0.32148
     Eigenvalues ---    0.32172   0.32189   0.32221   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33297   0.33319
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33457   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33634   0.33639
     Eigenvalues ---    0.33640   0.33643   0.33648   0.33664   0.33702
     Eigenvalues ---    0.33722   0.33744   0.33820   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33922   0.33941
     Eigenvalues ---    0.33947   0.33955   0.33960   0.34454   0.34476
     Eigenvalues ---    0.34859   0.34920   0.35045   0.38539   0.40885
     Eigenvalues ---    0.41663   0.44425   0.44429   0.44439   0.44452
     Eigenvalues ---    0.44992   0.45474   0.46275   0.48737   0.48921
     Eigenvalues ---    0.48955   0.48976   0.49237   0.49423   0.49795
     Eigenvalues ---    0.49813   0.49817   0.49849   0.49883   0.49943
     Eigenvalues ---    0.50016   0.50196   0.50397   0.50408   0.50610
     Eigenvalues ---    0.50613   0.50616   0.50742   0.51442   0.51576
     Eigenvalues ---    0.52208   0.52460   0.52624   0.52899   0.53354
     Eigenvalues ---    0.54060   0.54112   0.54199   0.54201   0.54206
     Eigenvalues ---    0.54371   0.54405   0.54939   0.55123   0.55305
     Eigenvalues ---    0.55330   0.55351   0.55358   0.55399   0.55420
     Eigenvalues ---    0.55437   0.55508   0.55532   0.55639   0.55694
     Eigenvalues ---    0.55707   0.55755   0.55842   0.55939   0.55948
     Eigenvalues ---    0.56147   0.56152   0.56153   0.56225   0.56267
     Eigenvalues ---    0.56293   0.56310   0.56392   0.56654   0.56662
     Eigenvalues ---    0.56664   0.56670   0.56672   0.56682   0.56843
     Eigenvalues ---    0.56900   0.56914   0.57115   0.57173   0.57178
     Eigenvalues ---    0.57190   0.57195   0.57209   0.57522   0.58117
     Eigenvalues ---    0.61715   0.62163   0.65913   0.66055   0.67648
     Eigenvalues ---    0.67657   0.67666   0.68960   0.69919   0.70078
     Eigenvalues ---    0.73789   0.75491   0.80039
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    37   36   35   34   33   32   31   30   29   28
 RFO step:  Lambda=-1.39926724D-06.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 DIIS inversion failure, remove point   4.
 RFO-DIIS uses    3 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    2.67509   -2.00000    0.32491    0.00000    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00394414 RMS(Int)=  0.00000925
 Iteration  2 RMS(Cart)=  0.00002018 RMS(Int)=  0.00000300
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000300
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64733  -0.00002   0.00005  -0.00000   0.00005   2.64738
    R2        2.66036   0.00001  -0.00002   0.00001  -0.00001   2.66035
    R3        2.80225   0.00004  -0.00001   0.00003   0.00002   2.80227
    R4        2.64583   0.00002  -0.00007  -0.00000  -0.00007   2.64576
    R5        2.04882   0.00000   0.00001   0.00001   0.00001   2.04883
    R6        2.66504  -0.00002  -0.00002  -0.00003  -0.00005   2.66499
    R7        2.79056  -0.00001  -0.00001  -0.00002  -0.00003   2.79053
    R8        2.64660   0.00000  -0.00004  -0.00001  -0.00005   2.64655
    R9        2.78150   0.00002   0.00007   0.00003   0.00010   2.78160
   R10        2.62031  -0.00001   0.00004   0.00001   0.00005   2.62036
   R11        2.04844  -0.00000   0.00000  -0.00000   0.00000   2.04844
   R12        2.05097  -0.00000  -0.00000  -0.00000  -0.00000   2.05097
   R13        2.67859  -0.00001  -0.00000  -0.00001  -0.00001   2.67858
   R14        2.64433   0.00002  -0.00006   0.00000  -0.00005   2.64428
   R15        2.84449  -0.00005  -0.00008  -0.00002  -0.00010   2.84440
   R16        2.64365   0.00003  -0.00000   0.00003   0.00003   2.64368
   R17        2.84962   0.00003  -0.00024   0.00000  -0.00024   2.84938
   R18        2.70482  -0.00001  -0.00055  -0.00008  -0.00063   2.70419
   R19        3.90281  -0.00000   0.00086   0.00000   0.00086   3.90367
   R20        2.43183   0.00000   0.00002   0.00001   0.00003   2.43186
   R21        2.64729  -0.00003   0.00005  -0.00001   0.00004   2.64733
   R22        2.04793   0.00000   0.00001   0.00001   0.00002   2.04795
   R23        2.64921   0.00003  -0.00002   0.00002  -0.00000   2.64920
   R24        2.80111  -0.00000  -0.00007  -0.00002  -0.00009   2.80102
   R25        2.62518  -0.00003   0.00003  -0.00001   0.00002   2.62520
   R26        2.05045   0.00000   0.00001  -0.00000   0.00000   2.05045
   R27        2.04121  -0.00000   0.00001  -0.00002  -0.00001   2.04121
   R28        2.69813  -0.00004   0.00016   0.00000   0.00016   2.69829
   R29        3.32102   0.00001   0.00003  -0.00000   0.00004   3.32106
   R30        5.34867   0.00002   0.00002   0.00005   0.00007   5.34874
   R31        2.67056   0.00001  -0.00004  -0.00001  -0.00005   2.67051
   R32        2.65255   0.00003  -0.00002   0.00001  -0.00001   2.65254
   R33        2.61807  -0.00012   0.00015  -0.00002   0.00013   2.61820
   R34        2.64923   0.00003  -0.00005   0.00002  -0.00003   2.64920
   R35        2.62562  -0.00002   0.00002  -0.00001   0.00001   2.62564
   R36        2.03793  -0.00001  -0.00002  -0.00000  -0.00003   2.03790
   R37        2.65801   0.00002  -0.00002   0.00001  -0.00001   2.65800
   R38        2.05124   0.00000  -0.00000   0.00000   0.00000   2.05124
   R39        2.63442  -0.00003   0.00002  -0.00001   0.00002   2.63443
   R40        2.80128   0.00002  -0.00002   0.00001  -0.00001   2.80127
   R41        2.04947   0.00000  -0.00000  -0.00000  -0.00000   2.04947
   R42        2.65589  -0.00001   0.00001   0.00000   0.00001   2.65590
   R43        2.65575  -0.00001   0.00001  -0.00000   0.00001   2.65576
   R44        2.65545   0.00000   0.00001   0.00001   0.00001   2.65546
   R45        2.65554  -0.00000   0.00001   0.00000   0.00001   2.65555
   R46        2.65547  -0.00000   0.00001   0.00001   0.00002   2.65549
   R47        2.65561  -0.00001   0.00001   0.00000   0.00001   2.65562
   R48        2.62906  -0.00000  -0.00002  -0.00001  -0.00003   2.62904
   R49        2.05132  -0.00000   0.00000  -0.00000   0.00000   2.05132
   R50        2.64726   0.00000   0.00003   0.00001   0.00004   2.64730
   R51        2.05000   0.00000  -0.00001   0.00000  -0.00000   2.05000
   R52        2.64698  -0.00000   0.00002   0.00001   0.00003   2.64701
   R53        2.67995  -0.00001  -0.00006  -0.00002  -0.00008   2.67987
   R54        2.62934   0.00000  -0.00002  -0.00000  -0.00002   2.62932
   R55        2.04999   0.00000  -0.00001   0.00000  -0.00000   2.04999
   R56        2.05148   0.00000   0.00000   0.00000   0.00000   2.05148
   R57        2.62923  -0.00000  -0.00000  -0.00000  -0.00000   2.62922
   R58        2.05123   0.00000  -0.00001  -0.00000  -0.00001   2.05122
   R59        2.64694   0.00000  -0.00001  -0.00000  -0.00001   2.64693
   R60        2.05001   0.00000   0.00000   0.00000   0.00001   2.05002
   R61        2.64697  -0.00000  -0.00000  -0.00000  -0.00001   2.64696
   R62        2.68026  -0.00001   0.00001   0.00000   0.00002   2.68028
   R63        2.62915   0.00000  -0.00001   0.00000  -0.00001   2.62915
   R64        2.05004   0.00000   0.00000   0.00000   0.00001   2.05004
   R65        2.05143   0.00000  -0.00000  -0.00000  -0.00000   2.05142
   R66        2.62963  -0.00000  -0.00001  -0.00000  -0.00001   2.62962
   R67        2.05153   0.00000  -0.00000   0.00000  -0.00000   2.05153
   R68        2.64645   0.00000  -0.00000   0.00000  -0.00000   2.64644
   R69        2.05015   0.00000   0.00000   0.00000   0.00001   2.05016
   R70        2.64673  -0.00000  -0.00000  -0.00000  -0.00001   2.64672
   R71        2.68139  -0.00001   0.00001   0.00000   0.00002   2.68140
   R72        2.62928   0.00000  -0.00001   0.00000  -0.00001   2.62927
   R73        2.05013   0.00000   0.00000   0.00000   0.00001   2.05013
   R74        2.05136   0.00000  -0.00000  -0.00000  -0.00000   2.05136
   R75        2.64734   0.00001  -0.00001   0.00000  -0.00000   2.64733
   R76        2.64732   0.00001  -0.00002   0.00000  -0.00001   2.64731
   R77        2.64746   0.00001   0.00006   0.00003   0.00008   2.64754
   R78        2.64759   0.00001   0.00006   0.00002   0.00008   2.64768
   R79        2.64679   0.00001  -0.00001   0.00000  -0.00001   2.64679
   R80        2.64644   0.00001  -0.00000   0.00001   0.00000   2.64644
   R81        2.67972  -0.00000  -0.00001  -0.00001  -0.00002   2.67970
   R82        2.64107  -0.00000   0.00000  -0.00000   0.00000   2.64107
   R83        2.73647  -0.00001  -0.00000  -0.00000  -0.00000   2.73647
   R84        2.64486  -0.00000  -0.00000  -0.00000  -0.00001   2.64485
   R85        2.67968  -0.00000  -0.00002  -0.00001  -0.00002   2.67965
   R86        2.64488  -0.00000  -0.00000  -0.00000  -0.00001   2.64488
   R87        2.64104  -0.00000   0.00000  -0.00000   0.00000   2.64104
   R88        2.67975  -0.00000  -0.00000  -0.00000  -0.00000   2.67974
   R89        2.64110  -0.00000  -0.00001  -0.00000  -0.00002   2.64109
   R90        2.73643  -0.00001   0.00001  -0.00000   0.00001   2.73645
   R91        2.64490  -0.00000   0.00000   0.00000   0.00000   2.64490
   R92        2.67979  -0.00000   0.00000  -0.00000   0.00000   2.67979
   R93        2.64487  -0.00000   0.00000   0.00000   0.00000   2.64488
   R94        2.64108  -0.00000  -0.00001  -0.00000  -0.00001   2.64107
   R95        2.67991  -0.00000   0.00000  -0.00000  -0.00000   2.67991
   R96        2.64113  -0.00000  -0.00001  -0.00000  -0.00001   2.64111
   R97        2.73638  -0.00001   0.00001  -0.00000   0.00001   2.73639
   R98        2.64499  -0.00000   0.00000   0.00000   0.00000   2.64499
   R99        2.68006  -0.00000  -0.00000  -0.00000  -0.00000   2.68006
   R100       2.64493  -0.00000   0.00000   0.00000   0.00000   2.64493
   R101       2.64115  -0.00000  -0.00001  -0.00000  -0.00001   2.64114
   R102       2.62966   0.00000   0.00000   0.00000   0.00001   2.62967
   R103       2.05272   0.00000  -0.00000   0.00000  -0.00000   2.05272
   R104       2.65530  -0.00000  -0.00001  -0.00000  -0.00002   2.65528
   R105       2.05144   0.00000  -0.00000   0.00000  -0.00000   2.05144
   R106       2.63265  -0.00000   0.00001   0.00000   0.00001   2.63266
   R107       2.05228   0.00000  -0.00000  -0.00000  -0.00000   2.05227
   R108       2.04889   0.00000  -0.00001   0.00000  -0.00001   2.04889
   R109       2.63266   0.00000   0.00000   0.00000   0.00001   2.63267
   R110       2.04891   0.00000  -0.00001   0.00000  -0.00001   2.04890
   R111       2.65530  -0.00000  -0.00001  -0.00000  -0.00002   2.65528
   R112       2.05231   0.00000  -0.00000  -0.00000  -0.00000   2.05230
   R113       2.62969   0.00000   0.00000   0.00000   0.00001   2.62970
   R114       2.05147   0.00000  -0.00000   0.00000  -0.00000   2.05147
   R115       2.05272   0.00000  -0.00000   0.00000  -0.00000   2.05272
   R116       2.62969  -0.00000   0.00001   0.00000   0.00001   2.62970
   R117       2.05275   0.00000  -0.00000   0.00000  -0.00000   2.05275
   R118       2.65534  -0.00000  -0.00000  -0.00000  -0.00000   2.65534
   R119       2.05148   0.00000   0.00000   0.00000   0.00000   2.05148
   R120       2.63264  -0.00000   0.00000   0.00000   0.00000   2.63264
   R121       2.05230   0.00000  -0.00000   0.00000  -0.00000   2.05230
   R122       2.04890   0.00000   0.00000   0.00000   0.00001   2.04891
   R123       2.63263  -0.00000   0.00000   0.00000   0.00000   2.63263
   R124       2.04891   0.00000   0.00000   0.00000   0.00001   2.04892
   R125       2.65537  -0.00000  -0.00000  -0.00000  -0.00000   2.65536
   R126       2.05229   0.00000  -0.00000   0.00000  -0.00000   2.05229
   R127       2.62968   0.00000   0.00001   0.00000   0.00001   2.62969
   R128       2.05147   0.00000   0.00000   0.00000   0.00000   2.05147
   R129       2.05274   0.00000  -0.00000  -0.00000  -0.00000   2.05274
   R130       2.62974   0.00000   0.00001   0.00000   0.00001   2.62975
   R131       2.05276   0.00000  -0.00000  -0.00000  -0.00000   2.05276
   R132       2.65545  -0.00000  -0.00000  -0.00000  -0.00001   2.65544
   R133       2.05150   0.00000   0.00000   0.00000   0.00000   2.05150
   R134       2.63260   0.00000   0.00000   0.00000   0.00000   2.63260
   R135       2.05237   0.00000  -0.00000   0.00000  -0.00000   2.05237
   R136       2.04899   0.00000   0.00000   0.00000   0.00000   2.04899
   R137       2.63254   0.00000   0.00000   0.00000   0.00000   2.63254
   R138       2.04896   0.00000   0.00000   0.00000   0.00000   2.04896
   R139       2.65553  -0.00000  -0.00000  -0.00000  -0.00001   2.65552
   R140       2.05230   0.00000  -0.00000   0.00000  -0.00000   2.05230
   R141       2.62964  -0.00000   0.00001   0.00000   0.00001   2.62965
   R142       2.05149   0.00000   0.00000   0.00000   0.00000   2.05149
   R143       2.05276   0.00000  -0.00000  -0.00000  -0.00000   2.05276
   R144       2.78535   0.00000  -0.00001  -0.00001  -0.00002   2.78533
   R145       3.03097   0.00000   0.00003   0.00001   0.00005   3.03103
   R146       3.04437   0.00001  -0.00004  -0.00000  -0.00005   3.04432
   R147       2.76330   0.00012  -0.00016   0.00009  -0.00007   2.76323
   R148       2.75565   0.00000  -0.00002  -0.00001  -0.00003   2.75562
   R149       2.86310  -0.00001   0.00003  -0.00002   0.00002   2.86311
   R150       2.06510  -0.00002  -0.00002  -0.00001  -0.00002   2.06508
   R151       2.06434  -0.00001   0.00003   0.00001   0.00005   2.06439
   R152       2.06838   0.00000  -0.00001  -0.00000  -0.00001   2.06837
   R153       2.06681  -0.00000   0.00001  -0.00000   0.00001   2.06682
   R154       2.06655  -0.00000  -0.00000  -0.00000  -0.00000   2.06655
   R155       2.86355  -0.00000  -0.00000  -0.00000  -0.00001   2.86355
   R156       2.06924   0.00000   0.00000   0.00000   0.00000   2.06924
   R157       2.06732   0.00000   0.00000   0.00000   0.00000   2.06732
   R158       2.06626   0.00000  -0.00000   0.00000  -0.00000   2.06626
   R159       2.06822   0.00000   0.00000  -0.00000  -0.00000   2.06822
   R160       2.06604   0.00000  -0.00000  -0.00000  -0.00000   2.06604
   R161       5.74743  -0.00000  -0.00812  -0.00534  -0.01345   5.73398
   R162       6.32813   0.00003   0.01529   0.00989   0.02516   6.35328
    A1        2.06401   0.00001  -0.00004  -0.00000  -0.00004   2.06397
    A2        2.10898   0.00000   0.00002   0.00001   0.00003   2.10901
    A3        2.11019  -0.00001   0.00002  -0.00001   0.00001   2.11020
    A4        2.12752  -0.00001  -0.00004  -0.00003  -0.00007   2.12745
    A5        2.07058   0.00000   0.00011   0.00005   0.00016   2.07073
    A6        2.08436   0.00000  -0.00007  -0.00002  -0.00008   2.08428
    A7        2.07150  -0.00000   0.00008   0.00003   0.00012   2.07161
    A8        2.14621  -0.00000   0.00005   0.00001   0.00006   2.14627
    A9        2.06234   0.00000  -0.00013  -0.00004  -0.00017   2.06217
   A10        2.09054   0.00001  -0.00003   0.00000  -0.00003   2.09051
   A11        2.09593  -0.00001  -0.00004  -0.00004  -0.00008   2.09585
   A12        2.09623   0.00000   0.00006   0.00003   0.00009   2.09632
   A13        2.10519  -0.00001  -0.00003  -0.00002  -0.00005   2.10514
   A14        2.06662   0.00000   0.00006   0.00002   0.00008   2.06670
   A15        2.11129   0.00000  -0.00003   0.00000  -0.00003   2.11127
   A16        2.10610  -0.00000   0.00005   0.00002   0.00006   2.10616
   A17        2.08881  -0.00000   0.00002  -0.00001   0.00001   2.08883
   A18        2.08826   0.00000  -0.00007  -0.00001  -0.00008   2.08818
   A19        2.09421   0.00001  -0.00005   0.00002  -0.00004   2.09417
   A20        2.10638  -0.00001  -0.00004  -0.00006  -0.00010   2.10628
   A21        2.07537  -0.00000   0.00007   0.00005   0.00012   2.07549
   A22        2.07059  -0.00000   0.00002   0.00000   0.00002   2.07061
   A23        2.06850  -0.00001  -0.00005  -0.00005  -0.00010   2.06840
   A24        2.13993   0.00001  -0.00002   0.00005   0.00003   2.13996
   A25        1.93167   0.00001  -0.00011  -0.00005  -0.00017   1.93150
   A26        2.04717   0.00001   0.00013   0.00009   0.00023   2.04740
   A27        1.87069   0.00000  -0.00008  -0.00002  -0.00010   1.87059
   A28        2.00892  -0.00002   0.00015  -0.00002   0.00013   2.00904
   A29        1.70311  -0.00002   0.00005  -0.00009  -0.00004   1.70308
   A30        2.02172  -0.00001   0.00002  -0.00001   0.00000   2.02172
   A31        2.08502   0.00002  -0.00005   0.00000  -0.00005   2.08497
   A32        2.17393  -0.00001   0.00004   0.00001   0.00005   2.17398
   A33        2.13645   0.00001  -0.00002   0.00000  -0.00002   2.13643
   A34        2.07741  -0.00001  -0.00002  -0.00004  -0.00006   2.07735
   A35        2.06645   0.00001   0.00004   0.00004   0.00008   2.06653
   A36        2.05333  -0.00000  -0.00002  -0.00003  -0.00005   2.05327
   A37        2.10939   0.00001   0.00000   0.00002   0.00002   2.10941
   A38        2.11977  -0.00000   0.00002   0.00001   0.00003   2.11980
   A39        2.10835   0.00000   0.00002   0.00003   0.00005   2.10840
   A40        2.09451  -0.00000  -0.00000  -0.00001  -0.00001   2.09450
   A41        2.08012  -0.00000  -0.00002  -0.00002  -0.00003   2.08009
   A42        2.11901   0.00000  -0.00000   0.00002   0.00002   2.11903
   A43        2.10098   0.00000   0.00004   0.00003   0.00007   2.10105
   A44        2.06289  -0.00001  -0.00004  -0.00005  -0.00009   2.06280
   A45        2.08316   0.00001   0.00005   0.00005   0.00009   2.08325
   A46        2.06038  -0.00001   0.00011   0.00006   0.00017   2.06056
   A47        2.08448   0.00001   0.00002   0.00001   0.00004   2.08451
   A48        2.08806  -0.00000  -0.00014   0.00011  -0.00003   2.08803
   A49        1.56346   0.00001   0.00028   0.00021   0.00048   1.56394
   A50        2.07905  -0.00000  -0.00011  -0.00002  -0.00013   2.07892
   A51        2.15090   0.00001   0.00014   0.00002   0.00016   2.15106
   A52        2.05241  -0.00001  -0.00003  -0.00000  -0.00003   2.05238
   A53        2.14009   0.00001   0.00002  -0.00001   0.00001   2.14010
   A54        2.10353  -0.00001   0.00006  -0.00000   0.00006   2.10359
   A55        2.03940  -0.00000  -0.00007   0.00001  -0.00006   2.03933
   A56        2.07945   0.00001  -0.00012  -0.00000  -0.00012   2.07933
   A57        2.10986   0.00000  -0.00001   0.00000  -0.00001   2.10985
   A58        2.10628  -0.00000   0.00011   0.00002   0.00013   2.10642
   A59        2.06704  -0.00000  -0.00010  -0.00002  -0.00012   2.06691
   A60        2.13225   0.00000   0.00004   0.00000   0.00004   2.13229
   A61        2.06349   0.00000  -0.00007  -0.00000  -0.00007   2.06342
   A62        2.08725  -0.00000   0.00003  -0.00000   0.00003   2.08728
   A63        2.03856   0.00001  -0.00004  -0.00001  -0.00005   2.03851
   A64        2.12232  -0.00001   0.00003  -0.00001   0.00002   2.12234
   A65        2.12230   0.00000   0.00001   0.00001   0.00002   2.12232
   A66        2.12954   0.00000  -0.00001   0.00000  -0.00001   2.12953
   A67        2.03250  -0.00001  -0.00001  -0.00002  -0.00003   2.03247
   A68        2.12079   0.00000   0.00002   0.00001   0.00004   2.12083
   A69        2.11185  -0.00000   0.00000  -0.00000  -0.00000   2.11185
   A70        2.11631  -0.00000   0.00001  -0.00000   0.00001   2.11632
   A71        2.05502   0.00000  -0.00001   0.00000  -0.00001   2.05502
   A72        2.11661  -0.00000   0.00001   0.00000   0.00001   2.11662
   A73        2.11060   0.00000   0.00001   0.00001   0.00001   2.11061
   A74        2.05598  -0.00000  -0.00001  -0.00001  -0.00002   2.05596
   A75        2.11517  -0.00000  -0.00002  -0.00001  -0.00003   2.11514
   A76        2.11321  -0.00000   0.00002   0.00001   0.00003   2.11324
   A77        2.05480   0.00000   0.00000   0.00000   0.00000   2.05480
   A78        2.11687   0.00000   0.00001   0.00001   0.00002   2.11689
   A79        2.08671   0.00000  -0.00003  -0.00000  -0.00003   2.08668
   A80        2.07873  -0.00000   0.00002  -0.00000   0.00002   2.07874
   A81        2.09823   0.00000   0.00001   0.00000   0.00001   2.09824
   A82        2.09999  -0.00000  -0.00001  -0.00000  -0.00001   2.09999
   A83        2.08473  -0.00000  -0.00000  -0.00000  -0.00001   2.08472
   A84        2.08010  -0.00000  -0.00002  -0.00001  -0.00003   2.08007
   A85        2.10136  -0.00000   0.00001  -0.00000   0.00001   2.10137
   A86        2.10173   0.00000   0.00001   0.00001   0.00002   2.10175
   A87        2.09781   0.00000   0.00001   0.00000   0.00001   2.09782
   A88        2.08505   0.00000   0.00000   0.00000   0.00000   2.08505
   A89        2.10007  -0.00000  -0.00001  -0.00000  -0.00001   2.10006
   A90        2.11722   0.00000   0.00001   0.00001   0.00002   2.11723
   A91        2.08464   0.00000  -0.00003  -0.00000  -0.00003   2.08461
   A92        2.08039  -0.00000   0.00002  -0.00001   0.00001   2.08041
   A93        2.11739  -0.00000   0.00000  -0.00000  -0.00000   2.11738
   A94        2.08553   0.00000   0.00001   0.00001   0.00002   2.08555
   A95        2.07937  -0.00000  -0.00001  -0.00001  -0.00002   2.07935
   A96        2.09822   0.00000  -0.00000  -0.00000  -0.00001   2.09821
   A97        2.09974  -0.00000   0.00002   0.00001   0.00003   2.09977
   A98        2.08500   0.00000  -0.00002  -0.00000  -0.00002   2.08497
   A99        2.07991  -0.00000   0.00001   0.00001   0.00002   2.07993
   A100       2.10197  -0.00000  -0.00000  -0.00001  -0.00001   2.10196
   A101       2.10130   0.00000  -0.00001   0.00000  -0.00001   2.10129
   A102       2.09793  -0.00000  -0.00001  -0.00001  -0.00001   2.09792
   A103       2.08481   0.00000  -0.00002   0.00000  -0.00002   2.08479
   A104       2.10020  -0.00000   0.00003   0.00001   0.00003   2.10023
   A105       2.11774   0.00000   0.00000   0.00000   0.00001   2.11775
   A106       2.08587   0.00000   0.00001   0.00001   0.00002   2.08589
   A107       2.07868  -0.00000  -0.00001  -0.00001  -0.00003   2.07865
   A108       2.11774  -0.00000   0.00000  -0.00000   0.00000   2.11774
   A109       2.08689   0.00000  -0.00000  -0.00000  -0.00000   2.08689
   A110       2.07771   0.00000  -0.00000   0.00000   0.00000   2.07771
   A111       2.09809  -0.00000  -0.00001  -0.00000  -0.00002   2.09808
   A112       2.10006  -0.00000   0.00003   0.00001   0.00004   2.10010
   A113       2.08479   0.00000  -0.00002  -0.00000  -0.00002   2.08477
   A114       2.07973  -0.00000   0.00002   0.00001   0.00002   2.07976
   A115       2.10161  -0.00000  -0.00001  -0.00001  -0.00001   2.10159
   A116       2.10185   0.00000  -0.00001  -0.00000  -0.00001   2.10184
   A117       2.09829  -0.00000  -0.00000  -0.00000  -0.00001   2.09828
   A118       2.08492   0.00000  -0.00002  -0.00000  -0.00002   2.08489
   A119       2.09975  -0.00000   0.00002   0.00001   0.00003   2.09978
   A120       2.11761  -0.00000  -0.00001  -0.00000  -0.00001   2.11760
   A121       2.08547   0.00000   0.00001   0.00000   0.00001   2.08548
   A122       2.07938   0.00000  -0.00000  -0.00000  -0.00000   2.07938
   A123       2.19602   0.00000  -0.00000   0.00000  -0.00000   2.19602
   A124       2.19624   0.00000  -0.00000  -0.00001  -0.00001   2.19623
   A125       1.89093  -0.00000   0.00001   0.00000   0.00001   1.89094
   A126       2.19618   0.00000   0.00002  -0.00000   0.00002   2.19620
   A127       2.19610   0.00000   0.00001   0.00001   0.00002   2.19612
   A128       1.89090  -0.00000  -0.00003  -0.00001  -0.00003   1.89087
   A129       2.19610   0.00000  -0.00000  -0.00000  -0.00001   2.19610
   A130       2.19608   0.00000  -0.00000   0.00000   0.00000   2.19608
   A131       1.89101  -0.00000   0.00000   0.00000   0.00001   1.89101
   A132       1.90146  -0.00000   0.00000  -0.00000  -0.00000   1.90146
   A133       2.25974  -0.00000   0.00002   0.00000   0.00002   2.25975
   A134       2.12148   0.00000  -0.00002   0.00000  -0.00002   2.12146
   A135       1.86549   0.00000   0.00001   0.00001   0.00002   1.86551
   A136       2.08632  -0.00000   0.00002  -0.00000   0.00002   2.08633
   A137       2.33132  -0.00000  -0.00003  -0.00001  -0.00004   2.33127
   A138       1.86546   0.00000   0.00001   0.00001   0.00002   1.86548
   A139       2.33131  -0.00000  -0.00003  -0.00001  -0.00004   2.33127
   A140       2.08635  -0.00000   0.00002   0.00000   0.00002   2.08637
   A141       1.90146  -0.00000   0.00000  -0.00000  -0.00000   1.90146
   A142       2.25985  -0.00000   0.00001   0.00000   0.00001   2.25986
   A143       2.12138   0.00000  -0.00002   0.00000  -0.00002   2.12136
   A144       1.90152  -0.00000   0.00000  -0.00000  -0.00000   1.90152
   A145       2.25970   0.00000  -0.00004  -0.00001  -0.00005   2.25965
   A146       2.12148   0.00000   0.00004   0.00001   0.00005   2.12153
   A147       1.86540   0.00000  -0.00000   0.00000  -0.00000   1.86539
   A148       2.08630   0.00000  -0.00003  -0.00001  -0.00004   2.08626
   A149       2.33142  -0.00000   0.00003   0.00001   0.00004   2.33146
   A150       1.86544   0.00000  -0.00001   0.00000  -0.00000   1.86544
   A151       2.33138  -0.00000   0.00003   0.00001   0.00003   2.33141
   A152       2.08630   0.00000  -0.00002  -0.00001  -0.00003   2.08626
   A153       1.90148  -0.00000   0.00000  -0.00000  -0.00000   1.90148
   A154       2.25976   0.00000  -0.00003  -0.00001  -0.00004   2.25971
   A155       2.12147   0.00000   0.00003   0.00001   0.00004   2.12151
   A156       1.90165  -0.00000   0.00000  -0.00000  -0.00000   1.90165
   A157       2.25938   0.00000  -0.00003  -0.00001  -0.00004   2.25934
   A158       2.12170   0.00000   0.00003   0.00001   0.00004   2.12174
   A159       1.86523   0.00000  -0.00000   0.00000  -0.00000   1.86523
   A160       2.08617   0.00000  -0.00002  -0.00001  -0.00003   2.08614
   A161       2.33173  -0.00000   0.00002   0.00001   0.00003   2.33176
   A162       1.86518   0.00000  -0.00000   0.00000   0.00000   1.86518
   A163       2.33180  -0.00000   0.00002   0.00001   0.00003   2.33183
   A164       2.08614  -0.00000  -0.00002  -0.00001  -0.00003   2.08611
   A165       1.90171  -0.00000  -0.00000  -0.00000  -0.00000   1.90171
   A166       2.25951   0.00000  -0.00003  -0.00001  -0.00003   2.25948
   A167       2.12151   0.00000   0.00003   0.00001   0.00004   2.12155
   A168       2.07984   0.00000  -0.00000  -0.00000  -0.00000   2.07983
   A169       2.10021   0.00000   0.00001   0.00000   0.00001   2.10022
   A170       2.10313  -0.00000  -0.00001  -0.00000  -0.00001   2.10312
   A171       2.10409   0.00000  -0.00001   0.00000  -0.00001   2.10408
   A172       2.09193  -0.00000  -0.00001  -0.00000  -0.00001   2.09192
   A173       2.08715   0.00000   0.00001   0.00000   0.00002   2.08717
   A174       2.11970  -0.00000  -0.00000  -0.00000  -0.00000   2.11970
   A175       2.08507   0.00000   0.00001   0.00000   0.00001   2.08508
   A176       2.07841   0.00000  -0.00001  -0.00000  -0.00001   2.07840
   A177       2.05486  -0.00000   0.00001   0.00000   0.00001   2.05487
   A178       2.11729  -0.00000   0.00001   0.00000   0.00001   2.11730
   A179       2.11102   0.00000  -0.00002  -0.00000  -0.00002   2.11099
   A180       2.05473  -0.00000   0.00001   0.00000   0.00001   2.05474
   A181       2.11734   0.00000   0.00001   0.00000   0.00002   2.11736
   A182       2.11109  -0.00000  -0.00002  -0.00000  -0.00003   2.11106
   A183       2.11978  -0.00000   0.00000  -0.00000  -0.00000   2.11978
   A184       2.07827   0.00000  -0.00001  -0.00000  -0.00001   2.07827
   A185       2.08513   0.00000   0.00001   0.00000   0.00001   2.08514
   A186       2.10409   0.00000  -0.00001   0.00000  -0.00001   2.10408
   A187       2.08724   0.00000   0.00001   0.00000   0.00002   2.08726
   A188       2.09185  -0.00000  -0.00001  -0.00001  -0.00001   2.09183
   A189       2.07982  -0.00000  -0.00000  -0.00000  -0.00000   2.07981
   A190       2.10021   0.00000   0.00001   0.00000   0.00001   2.10022
   A191       2.10315  -0.00000  -0.00001  -0.00000  -0.00001   2.10314
   A192       2.07984  -0.00000  -0.00000  -0.00000  -0.00000   2.07984
   A193       2.10019  -0.00000   0.00002   0.00000   0.00003   2.10022
   A194       2.10315   0.00000  -0.00002  -0.00000  -0.00002   2.10312
   A195       2.10408  -0.00000   0.00002   0.00000   0.00002   2.10410
   A196       2.09187   0.00000  -0.00002  -0.00001  -0.00003   2.09185
   A197       2.08722   0.00000   0.00001   0.00000   0.00001   2.08723
   A198       2.11978  -0.00000  -0.00001  -0.00000  -0.00002   2.11976
   A199       2.08515   0.00000  -0.00000   0.00000  -0.00000   2.08515
   A200       2.07826  -0.00000   0.00002   0.00000   0.00002   2.07827
   A201       2.05476   0.00000  -0.00001  -0.00000  -0.00001   2.05474
   A202       2.11730   0.00000  -0.00002  -0.00000  -0.00003   2.11727
   A203       2.11111  -0.00000   0.00003   0.00001   0.00004   2.11115
   A204       2.05476   0.00000  -0.00001  -0.00000  -0.00002   2.05474
   A205       2.11727   0.00000  -0.00003  -0.00001  -0.00003   2.11723
   A206       2.11113  -0.00000   0.00004   0.00001   0.00005   2.11118
   A207       2.11975  -0.00000  -0.00001  -0.00000  -0.00002   2.11973
   A208       2.07832  -0.00000   0.00002   0.00000   0.00002   2.07834
   A209       2.08511   0.00000  -0.00000   0.00000  -0.00000   2.08510
   A210       2.10411  -0.00000   0.00002   0.00001   0.00002   2.10413
   A211       2.08717   0.00000   0.00000   0.00000   0.00001   2.08717
   A212       2.09190   0.00000  -0.00002  -0.00001  -0.00003   2.09187
   A213       2.07982   0.00000  -0.00000  -0.00000  -0.00000   2.07982
   A214       2.10020  -0.00000   0.00002   0.00000   0.00003   2.10023
   A215       2.10315   0.00000  -0.00002  -0.00000  -0.00003   2.10313
   A216       2.07993  -0.00000  -0.00000  -0.00000  -0.00000   2.07993
   A217       2.10019  -0.00000   0.00002   0.00000   0.00002   2.10021
   A218       2.10306   0.00000  -0.00002  -0.00000  -0.00002   2.10303
   A219       2.10410  -0.00000   0.00001   0.00000   0.00002   2.10412
   A220       2.09184   0.00000  -0.00002  -0.00001  -0.00003   2.09181
   A221       2.08723   0.00000   0.00001   0.00000   0.00001   2.08724
   A222       2.11974  -0.00000  -0.00001  -0.00000  -0.00002   2.11972
   A223       2.08501   0.00000  -0.00000   0.00000   0.00000   2.08502
   A224       2.07843  -0.00000   0.00001   0.00000   0.00002   2.07844
   A225       2.05481   0.00000  -0.00001  -0.00000  -0.00001   2.05480
   A226       2.11675   0.00000  -0.00002  -0.00000  -0.00002   2.11672
   A227       2.11162  -0.00000   0.00003   0.00001   0.00003   2.11165
   A228       2.05458   0.00000  -0.00001  -0.00000  -0.00001   2.05457
   A229       2.11714   0.00000  -0.00002  -0.00000  -0.00003   2.11712
   A230       2.11145  -0.00000   0.00003   0.00001   0.00004   2.11148
   A231       2.11983  -0.00000  -0.00001  -0.00000  -0.00002   2.11981
   A232       2.07827  -0.00000   0.00001   0.00000   0.00001   2.07829
   A233       2.08508   0.00000  -0.00000   0.00000   0.00000   2.08508
   A234       2.10418  -0.00000   0.00001   0.00000   0.00002   2.10420
   A235       2.08715   0.00000   0.00001   0.00000   0.00001   2.08716
   A236       2.09185   0.00000  -0.00002  -0.00001  -0.00003   2.09182
   A237       2.07978  -0.00000  -0.00000  -0.00000  -0.00000   2.07977
   A238       2.10026  -0.00000   0.00002   0.00000   0.00002   2.10028
   A239       2.10314   0.00000  -0.00002  -0.00000  -0.00002   2.10312
   A240       2.01704  -0.00001   0.00006   0.00002   0.00008   2.01712
   A241       1.84580  -0.00001  -0.00004   0.00002  -0.00003   1.84577
   A242       1.73094   0.00002  -0.00014  -0.00004  -0.00018   1.73076
   A243       2.02820   0.00002  -0.00012  -0.00004  -0.00016   2.02804
   A244       2.03085  -0.00001   0.00014   0.00004   0.00018   2.03103
   A245       1.77114  -0.00000   0.00010  -0.00000   0.00009   1.77123
   A246       2.11468  -0.00002   0.00007  -0.00014  -0.00008   2.11460
   A247       2.06290  -0.00001   0.00006   0.00001   0.00007   2.06296
   A248       1.87729  -0.00000  -0.00011  -0.00011  -0.00021   1.87708
   A249       1.88143  -0.00001   0.00035   0.00013   0.00046   1.88188
   A250       1.89504   0.00000  -0.00005  -0.00007  -0.00012   1.89491
   A251       1.95476   0.00000   0.00001   0.00002   0.00004   1.95480
   A252       1.95973  -0.00000  -0.00008   0.00005  -0.00004   1.95969
   A253       1.89319   0.00000  -0.00010  -0.00002  -0.00010   1.89308
   A254       1.91047   0.00000   0.00003   0.00000   0.00004   1.91051
   A255       1.93758  -0.00000   0.00001   0.00000   0.00001   1.93759
   A256       1.93713   0.00000  -0.00003  -0.00001  -0.00004   1.93709
   A257       1.89098  -0.00000   0.00000   0.00000   0.00001   1.89098
   A258       1.89059  -0.00000   0.00001   0.00000   0.00001   1.89060
   A259       1.89590   0.00000  -0.00002  -0.00000  -0.00003   1.89587
   A260       1.88144  -0.00000   0.00001  -0.00001   0.00000   1.88144
   A261       1.89019   0.00001   0.00001   0.00002   0.00003   1.89022
   A262       1.89451  -0.00000   0.00001  -0.00001  -0.00001   1.89451
   A263       1.94740  -0.00000  -0.00001   0.00000  -0.00001   1.94739
   A264       1.95113   0.00000  -0.00000   0.00001   0.00001   1.95114
   A265       1.89751  -0.00000  -0.00002  -0.00000  -0.00002   1.89749
   A266       1.93702   0.00000  -0.00001  -0.00000  -0.00001   1.93701
   A267       1.91349   0.00000   0.00000  -0.00000   0.00000   1.91349
   A268       1.93468  -0.00000   0.00001   0.00000   0.00002   1.93470
   A269       1.89200  -0.00000   0.00000   0.00000   0.00001   1.89201
   A270       1.89328  -0.00000  -0.00000  -0.00000  -0.00001   1.89328
   A271       1.89225   0.00000  -0.00000  -0.00000  -0.00000   1.89225
   A272       1.92939   0.00001   0.00623   0.00415   0.01038   1.93978
   A273       1.62142  -0.00001  -0.00627  -0.00399  -0.01026   1.61116
   A274       1.73143   0.00000   0.00119   0.00059   0.00176   1.73319
   A275       1.81255  -0.00001  -0.00082  -0.00054  -0.00136   1.81119
   A276       1.23548   0.00001   0.00104   0.00049   0.00153   1.23700
   A277       1.33860   0.00000  -0.00047  -0.00038  -0.00085   1.33775
   A278       0.55427  -0.00001  -0.00102  -0.00065  -0.00169   0.55258
    D1        0.01074  -0.00000   0.00004  -0.00000   0.00004   0.01078
    D2        3.11102  -0.00000   0.00002   0.00001   0.00003   3.11105
    D3       -3.13081   0.00000   0.00005  -0.00000   0.00004  -3.13077
    D4       -0.03053   0.00000   0.00002   0.00001   0.00003  -0.03050
    D5       -0.03088   0.00000  -0.00013  -0.00001  -0.00014  -0.03102
    D6        3.10430   0.00000  -0.00012   0.00000  -0.00012   3.10418
    D7        3.11068   0.00000  -0.00014  -0.00001  -0.00014   3.11053
    D8       -0.03734   0.00000  -0.00013   0.00000  -0.00012  -0.03746
    D9        2.49437  -0.00000   0.00062   0.00017   0.00078   2.49515
   D10       -0.64804  -0.00000   0.00063   0.00016   0.00079  -0.64725
   D11       -0.64718   0.00000   0.00062   0.00017   0.00079  -0.64639
   D12        2.49360   0.00000   0.00063   0.00016   0.00079   2.49439
   D13        0.03390  -0.00000   0.00011   0.00001   0.00011   0.03401
   D14       -3.02097  -0.00001   0.00009  -0.00008   0.00001  -3.02096
   D15       -3.06606  -0.00000   0.00013  -0.00001   0.00012  -3.06595
   D16        0.16225  -0.00001   0.00011  -0.00010   0.00002   0.16227
   D17       -0.05898   0.00000  -0.00017   0.00000  -0.00017  -0.05915
   D18        3.04927   0.00000  -0.00059  -0.00013  -0.00072   3.04856
   D19        3.00009   0.00001  -0.00014   0.00008  -0.00006   3.00003
   D20       -0.17484   0.00001  -0.00057  -0.00005  -0.00061  -0.17545
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   D241      -0.03101  -0.00000   0.00003   0.00001   0.00004  -0.03098
   D242       0.00069   0.00000  -0.00001  -0.00000  -0.00001   0.00068
   D243       3.10989  -0.00000  -0.00001   0.00001  -0.00000   3.10989
   D244       0.00183  -0.00000  -0.00002  -0.00000  -0.00002   0.00181
   D245      -3.12887  -0.00000   0.00018  -0.00001   0.00017  -3.12869
   D246       3.11227   0.00000  -0.00025  -0.00005  -0.00031   3.11196
   D247      -0.01843  -0.00000  -0.00005  -0.00006  -0.00011  -0.01854
   D248       3.12110   0.00000  -0.00019  -0.00001  -0.00021   3.12089
   D249      -0.01284   0.00000  -0.00019  -0.00001  -0.00020  -0.01305
   D250       0.01768   0.00000   0.00010   0.00005   0.00014   0.01782
   D251      -3.11626   0.00000   0.00010   0.00005   0.00015  -3.11611
   D252      -0.00225  -0.00000   0.00001  -0.00000   0.00001  -0.00224
   D253       3.12658   0.00000  -0.00025   0.00001  -0.00024   3.12634
   D254       3.12625   0.00000  -0.00022   0.00000  -0.00022   3.12603
   D255      -0.02811   0.00001  -0.00049   0.00002  -0.00047  -0.02857
   D256       0.00569   0.00000  -0.00003   0.00003   0.00001   0.00570
   D257      -3.14104   0.00000  -0.00004   0.00001  -0.00003  -3.14107
   D258      -3.12150  -0.00000   0.00023   0.00002   0.00026  -3.12125
   D259       0.01495  -0.00000   0.00022   0.00000   0.00023   0.01518
   D260       0.00187   0.00000  -0.00001   0.00001   0.00000   0.00187
   D261       3.11280   0.00000  -0.00028  -0.00004  -0.00033   3.11247
   D262      -3.12909  -0.00000   0.00021  -0.00000   0.00021  -3.12888
   D263      -0.01816  -0.00000  -0.00006  -0.00006  -0.00012  -0.01828
   D264      -3.12193  -0.00000   0.00026   0.00001   0.00027  -3.12166
   D265       0.01476  -0.00000   0.00025  -0.00001   0.00024   0.01500
   D266       0.00562   0.00000  -0.00003   0.00003   0.00000   0.00562
   D267      -3.14087   0.00000  -0.00004   0.00001  -0.00003  -3.14090
   D268       3.12147   0.00000  -0.00023  -0.00002  -0.00025   3.12123
   D269      -0.01325   0.00000  -0.00021  -0.00002  -0.00023  -0.01348
   D270       0.01746   0.00000   0.00011   0.00005   0.00016   0.01762
   D271      -3.11726   0.00000   0.00013   0.00005   0.00018  -3.11708
   D272       0.00181   0.00000   0.00001   0.00001   0.00001   0.00182
   D273      -3.12919  -0.00000   0.00007  -0.00002   0.00005  -3.12914
   D274       3.11278  -0.00000   0.00003   0.00001   0.00004   3.11282
   D275      -0.01822  -0.00000   0.00010  -0.00002   0.00008  -0.01814
   D276       3.12152   0.00000  -0.00003   0.00002  -0.00001   3.12151
   D277      -0.01247   0.00000  -0.00006   0.00001  -0.00006  -0.01252
   D278       0.01745   0.00000  -0.00006   0.00001  -0.00005   0.01740
   D279      -3.11654   0.00000  -0.00010   0.00000  -0.00009  -3.11663
   D280      -0.00222  -0.00000   0.00000  -0.00000  -0.00000  -0.00222
   D281       3.12667   0.00000  -0.00011   0.00001  -0.00010   3.12657
   D282       3.12665   0.00000  -0.00008   0.00003  -0.00005   3.12660
   D283      -0.02765   0.00001  -0.00019   0.00005  -0.00014  -0.02780
   D284       0.00565   0.00000  -0.00006   0.00002  -0.00005   0.00560
   D285      -3.14100   0.00000  -0.00006   0.00000  -0.00005  -3.14106
   D286      -3.12195  -0.00000   0.00002  -0.00002  -0.00000  -3.12195
   D287       0.01459  -0.00000   0.00003  -0.00004  -0.00001   0.01458
   D288       0.00184   0.00000  -0.00001   0.00000  -0.00001   0.00183
   D289       3.11300  -0.00000   0.00000  -0.00000   0.00000   3.11300
   D290      -3.12918  -0.00000   0.00009  -0.00001   0.00007  -3.12910
   D291      -0.01801  -0.00000   0.00010  -0.00002   0.00009  -0.01793
   D292      -3.12195  -0.00000   0.00007  -0.00001   0.00006  -3.12189
   D293       0.01467  -0.00000   0.00009  -0.00001   0.00007   0.01474
   D294       0.00567   0.00000  -0.00006   0.00002  -0.00005   0.00562
   D295      -3.14090   0.00000  -0.00004   0.00001  -0.00004  -3.14093
   D296       3.12153   0.00000  -0.00005   0.00001  -0.00004   3.12149
   D297      -0.01335   0.00000  -0.00009  -0.00001  -0.00010  -0.01345
   D298       0.01723   0.00000  -0.00007   0.00001  -0.00006   0.01716
   D299      -3.11765   0.00000  -0.00011  -0.00000  -0.00012  -3.11777
   D300      -0.00177  -0.00000  -0.00000  -0.00001  -0.00001  -0.00178
   D301       3.12945   0.00000  -0.00009   0.00001  -0.00008   3.12937
   D302      -3.11383   0.00000   0.00000   0.00000   0.00001  -3.11383
   D303       0.01739   0.00000  -0.00008   0.00002  -0.00006   0.01733
   D304      -3.12205  -0.00000   0.00005  -0.00000   0.00005  -3.12199
   D305       0.01294  -0.00000   0.00009   0.00001   0.00010   0.01303
   D306      -0.01663  -0.00000   0.00005  -0.00001   0.00003  -0.01660
   D307       3.11835  -0.00000   0.00008   0.00000   0.00008   3.11843
   D308       0.00215   0.00000  -0.00000   0.00001   0.00000   0.00216
   D309      -3.12714  -0.00000   0.00010  -0.00003   0.00007  -3.12707
   D310      -3.12698  -0.00000   0.00010  -0.00001   0.00008  -3.12690
   D311       0.02691  -0.00001   0.00021  -0.00005   0.00015   0.02706
   D312      -0.00546  -0.00000   0.00006  -0.00002   0.00004  -0.00542
   D313       3.14098  -0.00000   0.00005  -0.00000   0.00005   3.14103
   D314       3.12243   0.00000  -0.00005   0.00001  -0.00005   3.12238
   D315      -0.01431   0.00000  -0.00006   0.00002  -0.00004  -0.01435
   D316      -0.00177  -0.00000   0.00001  -0.00000   0.00001  -0.00176
   D317      -3.11402   0.00000   0.00001  -0.00001   0.00000  -3.11402
   D318       3.12959   0.00000  -0.00008   0.00003  -0.00005   3.12954
   D319       0.01735   0.00000  -0.00008   0.00002  -0.00006   0.01729
   D320       3.12263   0.00000  -0.00006   0.00002  -0.00004   3.12259
   D321      -0.01412   0.00000  -0.00008   0.00004  -0.00004  -0.01416
   D322      -0.00544  -0.00000   0.00005  -0.00002   0.00004  -0.00541
   D323       3.14100  -0.00000   0.00004  -0.00000   0.00004   3.14103
   D324      -3.12223  -0.00000   0.00005  -0.00002   0.00003  -3.12220
   D325       0.01279  -0.00000   0.00007  -0.00001   0.00006   0.01285
   D326      -0.01659  -0.00000   0.00005  -0.00002   0.00004  -0.01655
   D327       3.11844  -0.00000   0.00008  -0.00001   0.00007   3.11851
   D328       0.00678  -0.00000   0.00007   0.00001   0.00008   0.00686
   D329      -3.14001   0.00000   0.00005   0.00002   0.00006  -3.13995
   D330      -3.12990   0.00000   0.00008   0.00003   0.00010  -3.12979
   D331       0.00650   0.00000   0.00005   0.00004   0.00009   0.00658
   D332      -0.00735  -0.00000  -0.00002  -0.00001  -0.00004  -0.00738
   D333       3.13108  -0.00000  -0.00006  -0.00003  -0.00009   3.13099
   D334       3.13943  -0.00000   0.00000  -0.00002  -0.00002   3.13941
   D335      -0.00533  -0.00000  -0.00004  -0.00003  -0.00007  -0.00540
   D336      -0.00476   0.00000  -0.00007  -0.00001  -0.00008  -0.00484
   D337       3.12998   0.00000  -0.00009  -0.00001  -0.00010   3.12988
   D338       3.13998   0.00000  -0.00003  -0.00000  -0.00003   3.13995
   D339      -0.00846   0.00000  -0.00005  -0.00000  -0.00005  -0.00851
   D340      -0.00475   0.00000  -0.00006  -0.00001  -0.00007  -0.00482
   D341       3.14047   0.00000  -0.00003  -0.00000  -0.00003   3.14044
   D342       3.12922   0.00000  -0.00007  -0.00001  -0.00008   3.12914
   D343      -0.00875   0.00000  -0.00004   0.00000  -0.00003  -0.00878
   D344      -0.00755  -0.00000  -0.00002  -0.00002  -0.00004  -0.00758
   D345       3.13969  -0.00000   0.00001  -0.00002  -0.00002   3.13967
   D346       3.13041  -0.00000  -0.00005  -0.00003  -0.00008   3.13033
   D347      -0.00555  -0.00000  -0.00002  -0.00003  -0.00006  -0.00560
   D348       0.00694  -0.00000   0.00006   0.00000   0.00007   0.00700
   D349      -3.12951   0.00000   0.00007   0.00003   0.00010  -3.12941
   D350      -3.14031   0.00000   0.00004   0.00001   0.00005  -3.14026
   D351       0.00643   0.00000   0.00005   0.00003   0.00008   0.00651
   D352       0.00663  -0.00000  -0.00001  -0.00001  -0.00001   0.00662
   D353      -3.14010   0.00000   0.00000   0.00001   0.00001  -3.14009
   D354      -3.12998   0.00000  -0.00003   0.00000  -0.00002  -3.13000
   D355       0.00647   0.00000  -0.00001   0.00002   0.00000   0.00647
   D356      -0.00728  -0.00000   0.00004  -0.00000   0.00004  -0.00725
   D357       3.13116  -0.00000   0.00003  -0.00001   0.00002   3.13118
   D358       3.13944  -0.00000   0.00003  -0.00001   0.00001   3.13945
   D359      -0.00530  -0.00000   0.00001  -0.00002  -0.00001  -0.00530
   D360      -0.00464  -0.00000   0.00000  -0.00000   0.00000  -0.00464
   D361       3.13026  -0.00000   0.00004   0.00001   0.00006   3.13032
   D362       3.14009  -0.00000   0.00001   0.00001   0.00002   3.14011
   D363      -0.00819   0.00000   0.00005   0.00002   0.00007  -0.00812
   D364      -0.00466  -0.00000  -0.00001  -0.00000  -0.00001  -0.00467
   D365       3.14053  -0.00000   0.00001   0.00000   0.00001   3.14054
   D366       3.12935  -0.00000   0.00003   0.00001   0.00004   3.12939
   D367      -0.00863  -0.00000   0.00004   0.00001   0.00005  -0.00858
   D368      -0.00748  -0.00000   0.00004  -0.00000   0.00004  -0.00744
   D369       3.13965  -0.00000   0.00002  -0.00002   0.00001   3.13966
   D370       3.13049  -0.00000   0.00002  -0.00001   0.00002   3.13051
   D371      -0.00556  -0.00000   0.00001  -0.00002  -0.00001  -0.00557
   D372       0.00685  -0.00000  -0.00000  -0.00001  -0.00001   0.00684
   D373      -3.12968   0.00000  -0.00001   0.00001  -0.00000  -3.12968
   D374      -3.14030   0.00000   0.00001   0.00001   0.00002  -3.14027
   D375       0.00636   0.00000   0.00000   0.00002   0.00003   0.00639
   D376      -0.00642   0.00000  -0.00000   0.00001   0.00001  -0.00641
   D377       3.14025  -0.00000  -0.00000  -0.00001  -0.00001   3.14024
   D378       3.13032  -0.00000   0.00001  -0.00001   0.00000   3.13033
   D379      -0.00620  -0.00000   0.00001  -0.00002  -0.00001  -0.00621
   D380       0.00704   0.00000  -0.00003   0.00000  -0.00003   0.00702
   D381      -3.13132   0.00000  -0.00002   0.00001  -0.00001  -3.13133
   D382      -3.13961   0.00000  -0.00003   0.00002  -0.00001  -3.13961
   D383       0.00521   0.00000  -0.00001   0.00002   0.00001   0.00522
   D384       0.00445   0.00000   0.00000   0.00000   0.00001   0.00446
   D385      -3.13059   0.00000  -0.00002  -0.00000  -0.00003  -3.13062
   D386      -3.14036   0.00000  -0.00001  -0.00000  -0.00001  -3.14037
   D387       0.00778   0.00000  -0.00004  -0.00001  -0.00005   0.00774
   D388       0.00447   0.00000   0.00001   0.00000   0.00001   0.00448
   D389      -3.14026   0.00000  -0.00000  -0.00000  -0.00000  -3.14026
   D390      -3.13054  -0.00000  -0.00002  -0.00001  -0.00003  -3.13057
   D391       0.00792  -0.00000  -0.00003  -0.00002  -0.00005   0.00787
   D392       0.00705   0.00000  -0.00003   0.00000  -0.00003   0.00702
   D393      -3.13953   0.00000  -0.00002   0.00002  -0.00000  -3.13954
   D394      -3.13139   0.00000  -0.00002   0.00001  -0.00002  -3.13141
   D395       0.00521   0.00000  -0.00001   0.00002   0.00001   0.00522
   D396      -0.00643   0.00000  -0.00000   0.00001   0.00000  -0.00642
   D397       3.13031  -0.00000   0.00000  -0.00001  -0.00000   3.13031
   D398       3.14017  -0.00000  -0.00001  -0.00001  -0.00002   3.14015
   D399      -0.00628  -0.00000  -0.00001  -0.00002  -0.00003  -0.00631
   D400       1.62032   0.00000   0.00188   0.00098   0.00286   1.62318
   D401      -0.64327   0.00002   0.00193   0.00097   0.00289  -0.64038
   D402      -2.86373   0.00002   0.00175   0.00095   0.00269  -2.86104
   D403      -3.08992  -0.00001  -0.00016  -0.00039  -0.00055  -3.09047
   D404      -0.91512  -0.00002  -0.00011  -0.00037  -0.00048  -0.91560
   D405       1.30361  -0.00001  -0.00010  -0.00040  -0.00050   1.30311
   D406       2.75656   0.00000   0.00443   0.00320   0.00763   2.76419
   D407      -1.41570  -0.00000   0.00458   0.00324   0.00781  -1.40788
   D408       0.63191   0.00000   0.00462   0.00324   0.00787   0.63979
   D409       2.98067   0.00003   0.00031   0.00072   0.00103   2.98170
   D410      -1.19304   0.00003   0.00031   0.00073   0.00103  -1.19201
   D411       0.86423   0.00003   0.00030   0.00072   0.00102   0.86525
   D412       3.11651  -0.00000   0.00045   0.00025   0.00069   3.11720
   D413      -1.07994  -0.00000   0.00048   0.00025   0.00073  -1.07922
   D414       1.03054  -0.00000   0.00043   0.00025   0.00068   1.03121
   D415       1.05230   0.00000   0.00009   0.00015   0.00024   1.05254
   D416       3.13903   0.00000   0.00011   0.00015   0.00028   3.13931
   D417      -1.03367   0.00001   0.00007   0.00014   0.00023  -1.03344
   D418      -1.08285  -0.00000   0.00027   0.00012   0.00038  -1.08247
   D419       1.00389  -0.00000   0.00030   0.00013   0.00042   1.00430
   D420       3.11437  -0.00000   0.00025   0.00012   0.00037   3.11473
   D421       1.28256   0.00000  -0.00442  -0.00262  -0.00706   1.27550
   D422      -2.93888  -0.00001  -0.00433  -0.00266  -0.00701  -2.94588
   D423      -0.76624  -0.00000  -0.00450  -0.00260  -0.00711  -0.77335
   D424      -1.40841  -0.00000  -0.00165  -0.00124  -0.00290  -1.41131
   D425       2.80135  -0.00000  -0.00144  -0.00109  -0.00254   2.79882
   D426       0.63167  -0.00001  -0.00132  -0.00114  -0.00248   0.62919
   D427       1.04442   0.00000  -0.00006   0.00005  -0.00002   1.04440
   D428       3.13401   0.00000  -0.00006   0.00005  -0.00002   3.13400
   D429      -1.06073   0.00000  -0.00005   0.00005  -0.00001  -1.06074
   D430      -1.02885  -0.00000  -0.00008   0.00003  -0.00005  -1.02890
   D431       1.06074  -0.00000  -0.00008   0.00003  -0.00005   1.06070
   D432      -3.13400  -0.00000  -0.00007   0.00003  -0.00004  -3.13404
   D433       3.12518  -0.00000  -0.00004   0.00003  -0.00002   3.12516
   D434      -1.06841   0.00000  -0.00005   0.00003  -0.00002  -1.06843
   D435       1.02003  -0.00000  -0.00004   0.00003  -0.00001   1.02002
   D436      -1.35129   0.00002   0.00507   0.00285   0.00794  -1.34334
   D437      -1.25106   0.00000   0.00389   0.00220   0.00611  -1.24495
   D438       0.41988  -0.00000   0.00176   0.00098   0.00276   0.42264
   D439       1.09300   0.00002   0.00272   0.00160   0.00431   1.09730
   D440       0.91496   0.00001   0.00202   0.00125   0.00327   0.91822
   D441      -0.39234   0.00000  -0.00053  -0.00017  -0.00071  -0.39305
         Item               Value     Threshold  Converged?
 Maximum Force            0.000116     0.000450     YES
 RMS     Force            0.000009     0.000300     YES
 Maximum Displacement     0.029817     0.001800     NO 
 RMS     Displacement     0.003950     0.001200     NO 
 Predicted change in Energy=-6.698149D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.834579    2.897769    0.554483
      2          6           0       -2.067074    1.522453    0.685122
      3          6           0       -1.018613    0.595399    0.723927
      4          6           0        0.307981    1.070852    0.670098
      5          6           0        0.549823    2.440767    0.508148
      6          6           0       -0.502788    3.341373    0.447549
      7          6           0       -1.236356   -0.865095    0.711677
      8          6           0       -0.169498   -1.743112    1.027992
      9          6           0        1.120419   -1.157206    1.536347
     10          6           0        1.433866    0.135670    0.826578
     11          6           0       -2.439231   -1.403727    0.241588
     12          6           0       -2.618615   -2.778537    0.040945
     13          6           0       -1.519855   -3.618263    0.270953
     14          6           0       -0.319081   -3.104925    0.744758
     15          7           0        2.229241   -2.048058    1.693328
     16          6           0        3.524016   -1.638902    1.251777
     17          6           0        3.672324   -0.377535    0.632083
     18          7           0        2.608769    0.488972    0.438177
     19          6           0        4.664163   -2.451266    1.353750
     20          6           0        5.896045   -2.013789    0.883020
     21          6           0        6.062365   -0.755266    0.277334
     22          6           0        4.924198    0.041155    0.160048
     23          6           0       -2.962319    3.860351    0.529638
     24          6           0       -3.912038   -3.313290   -0.447028
     25          6           0        7.383118   -0.300479   -0.218845
     26          6           0       -3.962482   -4.382924   -1.356950
     27          6           0       -5.176097   -4.879342   -1.821942
     28          6           0       -6.382549   -4.328139   -1.371229
     29          6           0       -6.349375   -3.267999   -0.456314
     30          6           0       -5.130590   -2.765590   -0.011250
     31          6           0       -2.853086    5.119334    1.144700
     32          6           0       -3.910550    6.023463    1.134313
     33          6           0       -5.109260    5.698867    0.486489
     34          6           0       -5.230657    4.452164   -0.140396
     35          6           0       -4.174444    3.547126   -0.108877
     36          6           0        8.297218   -1.203631   -0.787518
     37          6           0        9.534201   -0.778608   -1.262484
     38          6           0        9.900761    0.569555   -1.165970
     39          6           0        9.004230    1.481334   -0.594539
     40          6           0        7.763180    1.049951   -0.136755
     41          7           0       -6.186586    6.621133    0.464439
     42          7           0       -7.621953   -4.837364   -1.835614
     43          7           0       11.164492    1.006113   -1.641135
     44          6           0       -8.026944   -6.177782   -1.789568
     45          6           0       -9.325139   -6.286001   -2.349749
     46          6           0       -9.721159   -4.953148   -2.754214
     47          6           0       -8.649476   -4.086273   -2.421375
     48          6           0       -7.498602    6.359403    0.879957
     49          6           0       -8.280165    7.529093    0.701428
     50          6           0       -7.402590    8.541301    0.151710
     51          6           0       -6.121214    7.948178    0.020388
     52          6           0       11.381672    2.034332   -2.567058
     53          6           0       12.776259    2.170654   -2.785435
     54          6           0       13.430486    1.182817   -1.952983
     55          6           0       12.407515    0.483059   -1.263610
     56          6           0      -10.864641   -4.431745   -3.370242
     57          6           0      -10.922934   -3.069867   -3.650111
     58          6           0       -9.845679   -2.227510   -3.327150
     59          6           0       -8.696230   -2.720333   -2.713358
     60          6           0       -7.362238   -7.289230   -1.264094
     61          6           0       -8.009613   -8.521222   -1.327007
     62          6           0       -9.289542   -8.648903   -1.892544
     63          6           0       -9.952637   -7.536008   -2.400732
     64          6           0       -7.591764    9.870033   -0.245261
     65          6           0       -6.516143   10.581195   -0.768495
     66          6           0       -5.256668    9.973389   -0.905348
     67          6           0       -5.040814    8.652813   -0.517656
     68          6           0       -8.040469    5.194691    1.430523
     69          6           0       -9.388343    5.210291    1.782368
     70          6           0      -10.180923    6.355898    1.598329
     71          6           0       -9.632198    7.517321    1.063101
     72          6           0       14.769907    0.845504   -1.726805
     73          6           0       15.070624   -0.168425   -0.822331
     74          6           0       14.045145   -0.841898   -0.137196
     75          6           0       12.703999   -0.526628   -0.343828
     76          6           0       10.453449    2.825332   -3.249742
     77          6           0       10.944077    3.773923   -4.144244
     78          6           0       12.323293    3.932128   -4.362044
     79          6           0       13.242148    3.132171   -3.689596
     80          8           0        0.754559   -3.511564    3.476792
     81         15           0        2.088330   -3.343662    2.872356
     82          8           0        3.307765   -3.137586    3.893711
     83          8           0        2.625954   -4.567924    1.973792
     84          6           0        3.142014   -2.364415    5.123702
     85          6           0        4.233130   -2.793287    6.083413
     86          6           0        2.621291   -5.904541    2.556723
     87          6           0        2.949184   -6.891619    1.454737
     88          1           0       -3.088439    1.176317    0.796845
     89          1           0        1.577697    2.779096    0.444624
     90          1           0       -0.297761    4.398287    0.310346
     91          1           0       -3.237884   -0.731685   -0.049933
     92          1           0       -1.607292   -4.685892    0.098150
     93          1           0        0.512774   -3.782976    0.867270
     94          1           0        4.603242   -3.432010    1.798051
     95          1           0        6.754903   -2.665346    1.009828
     96          1           0        4.957489    1.009220   -0.327757
     97          1           0       -3.038226   -4.805341   -1.738589
     98          1           0       -5.196063   -5.681146   -2.552372
     99          1           0       -7.280832   -2.857689   -0.081032
    100          1           0       -5.123773   -1.963136    0.719876
    101          1           0       -1.942110    5.377582    1.675408
    102          1           0       -3.821510    6.975930    1.645903
    103          1           0       -6.145976    4.207806   -0.668932
    104          1           0       -4.277225    2.597654   -0.625009
    105          1           0        8.020653   -2.247616   -0.897877
    106          1           0       10.213206   -1.483811   -1.730077
    107          1           0        9.294029    2.521798   -0.492449
    108          1           0        7.092560    1.766569    0.327041
    109          1           0      -11.693465   -5.083976   -3.630215
    110          1           0      -11.805061   -2.653243   -4.126291
    111          1           0       -9.905999   -1.169017   -3.562495
    112          1           0       -7.865342   -2.064945   -2.477486
    113          1           0       -6.379357   -7.197973   -0.815571
    114          1           0       -7.512571   -9.399689   -0.926120
    115          1           0       -9.765328   -9.624052   -1.927490
    116          1           0      -10.946744   -7.633811   -2.827502
    117          1           0       -8.567663   10.337463   -0.149843
    118          1           0       -6.649997   11.612901   -1.078632
    119          1           0       -4.431851   10.541819   -1.324903
    120          1           0       -4.068264    8.188484   -0.636450
    121          1           0       -7.433485    4.309900    1.586398
    122          1           0       -9.832319    4.316723    2.211167
    123          1           0      -11.228683    6.333938    1.881568
    124          1           0      -10.243065    8.405852    0.931483
    125          1           0       15.563924    1.372553   -2.248099
    126          1           0       16.105696   -0.439927   -0.639416
    127          1           0       14.300483   -1.623885    0.571914
    128          1           0       11.919201   -1.044221    0.196402
    129          1           0        9.387261    2.702925   -3.095173
    130          1           0       10.242278    4.401408   -4.685723
    131          1           0       12.672359    4.682347   -5.064790
    132          1           0       14.307616    3.248222   -3.866527
    133          1           0        3.216886   -1.305178    4.865613
    134          1           0        2.142415   -2.553776    5.521632
    135          1           0        4.153305   -2.214153    7.008744
    136          1           0        4.141695   -3.854343    6.332422
    137          1           0        5.223493   -2.619522    5.653432
    138          1           0        3.367256   -5.932901    3.357817
    139          1           0        1.634161   -6.092032    2.989408
    140          1           0        3.930654   -6.682100    1.020708
    141          1           0        2.961315   -7.907253    1.862373
    142          1           0        2.201605   -6.848029    0.658161
    143         17           0        0.734012   -0.357417    3.401363
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177726           0.0074045           0.0058224
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13524.5516605694 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.75D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000214    0.000011   -0.000098 Ang=   0.03 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.68069510     A.U. after    9 cycles
            NFock=  9  Conv=0.39D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000025690   -0.000058628    0.000001748
      2        6          -0.000035318    0.000043620    0.000001830
      3        6           0.000045663   -0.000031523   -0.000008980
      4        6          -0.000026769   -0.000011583    0.000017698
      5        6          -0.000013931    0.000020757    0.000003217
      6        6           0.000028480    0.000006906   -0.000011698
      7        6           0.000036315    0.000039283    0.000010311
      8        6           0.000019495    0.000035761   -0.000032880
      9        6          -0.000140684   -0.000090195    0.000000232
     10        6          -0.000012837    0.000125244   -0.000026176
     11        6          -0.000018554   -0.000069108   -0.000018001
     12        6          -0.000024683    0.000063331    0.000010215
     13        6           0.000054469    0.000007713    0.000018844
     14        6          -0.000036977   -0.000056178    0.000003622
     15        7           0.000239508    0.000015035    0.000029374
     16        6          -0.000097851   -0.000057912   -0.000014338
     17        6          -0.000189578    0.000092362    0.000001677
     18        7           0.000150874   -0.000099663    0.000025613
     19        6           0.000047892    0.000003219   -0.000026338
     20        6          -0.000009861   -0.000035820    0.000032198
     21        6          -0.000061158    0.000024655   -0.000005002
     22        6           0.000075703   -0.000001044   -0.000016594
     23        6          -0.000035022    0.000016923   -0.000003334
     24        6          -0.000020280   -0.000013335   -0.000005080
     25        6           0.000025302    0.000014439   -0.000004622
     26        6           0.000004595    0.000002217    0.000007550
     27        6          -0.000004813    0.000003188   -0.000002516
     28        6          -0.000010837   -0.000003824    0.000005140
     29        6          -0.000000231   -0.000009020   -0.000001583
     30        6           0.000016591    0.000004923   -0.000005960
     31        6          -0.000002806   -0.000010994    0.000004962
     32        6           0.000005551    0.000008004   -0.000011187
     33        6          -0.000015135    0.000000499   -0.000004740
     34        6          -0.000010868    0.000000159    0.000015899
     35        6           0.000017857    0.000006108   -0.000002862
     36        6          -0.000010566    0.000003036   -0.000008386
     37        6           0.000005020   -0.000000226    0.000011795
     38        6           0.000011361    0.000012867   -0.000004146
     39        6           0.000003382    0.000003447   -0.000014793
     40        6          -0.000001001   -0.000015659    0.000011035
     41        7           0.000016168   -0.000012802    0.000003586
     42        7           0.000007002    0.000009607   -0.000014264
     43        7          -0.000017545   -0.000015604    0.000008863
     44        6          -0.000009731   -0.000003477    0.000022768
     45        6          -0.000023809    0.000004421    0.000037641
     46        6           0.000021710   -0.000005155   -0.000038047
     47        6           0.000013648   -0.000001213   -0.000012643
     48        6          -0.000000576   -0.000004244   -0.000017493
     49        6           0.000006924    0.000011925    0.000024795
     50        6          -0.000003357   -0.000014935   -0.000024941
     51        6          -0.000000202    0.000011330    0.000014477
     52        6          -0.000001667    0.000013606    0.000007575
     53        6           0.000004801   -0.000021073   -0.000018281
     54        6          -0.000009499    0.000020424    0.000021393
     55        6           0.000007397   -0.000008537   -0.000010420
     56        6          -0.000009545    0.000003573    0.000018306
     57        6          -0.000000135   -0.000004959   -0.000000147
     58        6           0.000001133   -0.000000161    0.000003297
     59        6          -0.000005182   -0.000001386    0.000004725
     60        6           0.000002328    0.000000728   -0.000008756
     61        6           0.000000901    0.000000756   -0.000001920
     62        6          -0.000003117    0.000001646   -0.000000253
     63        6           0.000011456   -0.000001497   -0.000015241
     64        6           0.000003629    0.000005951    0.000011699
     65        6          -0.000005081   -0.000001769   -0.000000732
     66        6          -0.000000680   -0.000001618    0.000001324
     67        6          -0.000003493    0.000001547    0.000001255
     68        6          -0.000004395    0.000001297   -0.000000703
     69        6           0.000001242    0.000001891   -0.000001438
     70        6          -0.000002307    0.000004340    0.000000839
     71        6          -0.000001476   -0.000006025   -0.000011163
     72        6           0.000002267   -0.000010311   -0.000010897
     73        6           0.000000395    0.000004529   -0.000000214
     74        6           0.000000072    0.000000875   -0.000001781
     75        6           0.000000933    0.000001687   -0.000004352
     76        6           0.000002800    0.000001149   -0.000000572
     77        6           0.000001407   -0.000000322    0.000001887
     78        6           0.000004697   -0.000000666   -0.000000906
     79        6          -0.000003814    0.000007705    0.000008055
     80        8          -0.000016468    0.000009208   -0.000014002
     81       15           0.000037278    0.000022658    0.000073527
     82        8           0.000059465   -0.000025724   -0.000146287
     83        8          -0.000081370   -0.000054964   -0.000054626
     84        6          -0.000065414    0.000065138    0.000173713
     85        6           0.000001814   -0.000005073   -0.000021453
     86        6           0.000042458    0.000016857    0.000024690
     87        6           0.000013006    0.000005373    0.000002729
     88        1          -0.000000772    0.000005612   -0.000004335
     89        1           0.000002136   -0.000003634    0.000001118
     90        1          -0.000005222   -0.000000034    0.000006004
     91        1           0.000002822    0.000001785    0.000007771
     92        1           0.000001529    0.000001401   -0.000003485
     93        1          -0.000002534   -0.000001556    0.000006240
     94        1          -0.000007081    0.000000235   -0.000003683
     95        1           0.000002713    0.000002742   -0.000009940
     96        1          -0.000002203    0.000003019    0.000003258
     97        1          -0.000001800   -0.000003357   -0.000002196
     98        1           0.000002536    0.000000580    0.000000282
     99        1           0.000000980    0.000002021    0.000001182
    100        1          -0.000004637   -0.000000774   -0.000000003
    101        1           0.000001212    0.000003915   -0.000002480
    102        1           0.000002574   -0.000003231    0.000003152
    103        1           0.000004618   -0.000000070   -0.000004010
    104        1          -0.000002455   -0.000002844    0.000001933
    105        1           0.000002683   -0.000001327    0.000002910
    106        1          -0.000003599   -0.000001884   -0.000002662
    107        1          -0.000001697   -0.000001800    0.000004675
    108        1          -0.000002414    0.000001711   -0.000003014
    109        1           0.000001676   -0.000001308   -0.000002019
    110        1          -0.000000526    0.000001116    0.000000883
    111        1           0.000000321    0.000000485   -0.000001211
    112        1           0.000000000    0.000000656   -0.000000620
    113        1          -0.000000616   -0.000000927    0.000002263
    114        1          -0.000000183   -0.000000484    0.000001570
    115        1           0.000001430   -0.000000596   -0.000000907
    116        1          -0.000001521    0.000000579    0.000001272
    117        1          -0.000001259   -0.000002843   -0.000000693
    118        1           0.000001674    0.000001184    0.000001618
    119        1           0.000001301   -0.000000502   -0.000000652
    120        1          -0.000001014    0.000002554   -0.000005382
    121        1          -0.000002600   -0.000001321    0.000005174
    122        1           0.000001321   -0.000000828    0.000000832
    123        1           0.000000185   -0.000002014   -0.000001417
    124        1           0.000001230    0.000002552    0.000000321
    125        1          -0.000001821    0.000002922    0.000000376
    126        1           0.000000470   -0.000002812   -0.000001108
    127        1          -0.000000848   -0.000000500    0.000000988
    128        1           0.000002126    0.000001909    0.000005311
    129        1          -0.000000241    0.000000949   -0.000004795
    130        1          -0.000001256   -0.000001004   -0.000000735
    131        1          -0.000002014    0.000001358    0.000000877
    132        1           0.000001607   -0.000001703    0.000000907
    133        1           0.000000258   -0.000028814   -0.000010390
    134        1           0.000030112   -0.000025291   -0.000009491
    135        1          -0.000002807    0.000002220    0.000003285
    136        1          -0.000000188    0.000001746    0.000002973
    137        1          -0.000001506    0.000000371    0.000001740
    138        1          -0.000012700   -0.000002706    0.000011372
    139        1          -0.000005449   -0.000005269   -0.000013990
    140        1           0.000001125   -0.000001248    0.000000392
    141        1          -0.000001195   -0.000000863   -0.000000744
    142        1          -0.000000748    0.000002377   -0.000000027
    143       17          -0.000025793    0.000039861   -0.000010046
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000239508 RMS     0.000028988

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000144682 RMS     0.000011205
 Search for a local minimum.
 Step number  38 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   20   21   22   23   24
                                                     25   26   27   28   29
                                                     30   31   32   33   34
                                                     35   36   37   38
 DE= -1.21D-06 DEPred=-6.70D-07 R= 1.81D+00
 TightC=F SS=  1.41D+00  RLast= 4.08D-02 DXNew= 1.0456D+00 1.2251D-01
 Trust test= 1.81D+00 RLast= 4.08D-02 DXMaxT set to 6.22D-01
 ITU=  1  0  1  0  0  0  0  0  0  1  0  1 -1  1  1  1  1  1  1 -1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00031   0.00132   0.00244   0.00418   0.00421
     Eigenvalues ---    0.00548   0.00702   0.00785   0.01101   0.01622
     Eigenvalues ---    0.02037   0.02252   0.02557   0.02589   0.02618
     Eigenvalues ---    0.02650   0.02699   0.02706   0.02708   0.02714
     Eigenvalues ---    0.02723   0.02726   0.02727   0.02729   0.02736
     Eigenvalues ---    0.02739   0.02751   0.02764   0.02770   0.02772
     Eigenvalues ---    0.02774   0.02775   0.02778   0.02782   0.02785
     Eigenvalues ---    0.02786   0.02789   0.02790   0.02791   0.02791
     Eigenvalues ---    0.02792   0.02792   0.02793   0.02794   0.02795
     Eigenvalues ---    0.02796   0.02801   0.02802   0.02802   0.02803
     Eigenvalues ---    0.02804   0.02807   0.02807   0.02808   0.02808
     Eigenvalues ---    0.02809   0.02809   0.02811   0.02813   0.02817
     Eigenvalues ---    0.02817   0.02818   0.02818   0.02818   0.02819
     Eigenvalues ---    0.02820   0.02825   0.02829   0.02838   0.02841
     Eigenvalues ---    0.02844   0.02845   0.02845   0.02846   0.02847
     Eigenvalues ---    0.02849   0.02850   0.02862   0.02867   0.02868
     Eigenvalues ---    0.02869   0.02869   0.02871   0.02872   0.02873
     Eigenvalues ---    0.02875   0.02876   0.02877   0.02878   0.02878
     Eigenvalues ---    0.02879   0.02881   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02886   0.02886   0.02887
     Eigenvalues ---    0.02889   0.02891   0.02892   0.02894   0.02896
     Eigenvalues ---    0.02897   0.02898   0.02898   0.02899   0.02899
     Eigenvalues ---    0.02903   0.02908   0.02908   0.02910   0.02935
     Eigenvalues ---    0.02942   0.02950   0.03024   0.03025   0.03026
     Eigenvalues ---    0.03065   0.03117   0.03128   0.03133   0.03134
     Eigenvalues ---    0.03148   0.03155   0.03245   0.03354   0.03696
     Eigenvalues ---    0.03938   0.04002   0.04722   0.05375   0.05568
     Eigenvalues ---    0.05579   0.05619   0.05726   0.05745   0.06001
     Eigenvalues ---    0.07487   0.08542   0.09383   0.10505   0.10984
     Eigenvalues ---    0.11431   0.11689   0.12642   0.13652   0.15215
     Eigenvalues ---    0.15611   0.15813   0.15889   0.15926   0.15959
     Eigenvalues ---    0.15972   0.15986   0.15986   0.15987   0.15987
     Eigenvalues ---    0.15988   0.15992   0.15995   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16003   0.16004   0.16006
     Eigenvalues ---    0.16010   0.16012   0.16083   0.16104   0.16114
     Eigenvalues ---    0.16252   0.16812   0.17309   0.18760   0.20102
     Eigenvalues ---    0.20906   0.21990   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22002   0.22002   0.22003
     Eigenvalues ---    0.22012   0.22374   0.22417   0.22524   0.22600
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22604   0.22694
     Eigenvalues ---    0.22946   0.22966   0.22996   0.23164   0.23267
     Eigenvalues ---    0.23420   0.23513   0.23709   0.23968   0.23998
     Eigenvalues ---    0.24206   0.24478   0.24486   0.24489   0.24490
     Eigenvalues ---    0.24534   0.24551   0.24762   0.24899   0.24980
     Eigenvalues ---    0.24984   0.24985   0.24985   0.24986   0.24988
     Eigenvalues ---    0.24990   0.24997   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25002   0.25005   0.25014   0.25030   0.25049
     Eigenvalues ---    0.25110   0.25169   0.25433   0.26417   0.27823
     Eigenvalues ---    0.28304   0.28984   0.29787   0.29810   0.30241
     Eigenvalues ---    0.32017   0.32099   0.32129   0.32142   0.32148
     Eigenvalues ---    0.32172   0.32189   0.32220   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33297   0.33319
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33457   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33634   0.33639
     Eigenvalues ---    0.33640   0.33643   0.33648   0.33664   0.33702
     Eigenvalues ---    0.33722   0.33744   0.33820   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33922   0.33941
     Eigenvalues ---    0.33947   0.33955   0.33960   0.34471   0.34475
     Eigenvalues ---    0.34862   0.34920   0.35063   0.38616   0.40575
     Eigenvalues ---    0.41687   0.44408   0.44429   0.44439   0.44450
     Eigenvalues ---    0.44707   0.45501   0.47121   0.48712   0.48934
     Eigenvalues ---    0.48975   0.49093   0.49242   0.49376   0.49783
     Eigenvalues ---    0.49802   0.49815   0.49844   0.49873   0.49933
     Eigenvalues ---    0.50010   0.50202   0.50395   0.50407   0.50437
     Eigenvalues ---    0.50611   0.50615   0.50617   0.51533   0.51814
     Eigenvalues ---    0.52337   0.52534   0.52647   0.52917   0.53341
     Eigenvalues ---    0.54064   0.54112   0.54199   0.54201   0.54206
     Eigenvalues ---    0.54367   0.54430   0.54932   0.55123   0.55304
     Eigenvalues ---    0.55330   0.55350   0.55358   0.55397   0.55421
     Eigenvalues ---    0.55431   0.55499   0.55552   0.55646   0.55697
     Eigenvalues ---    0.55707   0.55758   0.55871   0.55939   0.55948
     Eigenvalues ---    0.56147   0.56152   0.56153   0.56225   0.56268
     Eigenvalues ---    0.56306   0.56357   0.56526   0.56662   0.56664
     Eigenvalues ---    0.56670   0.56672   0.56682   0.56694   0.56844
     Eigenvalues ---    0.56900   0.56914   0.57118   0.57173   0.57178
     Eigenvalues ---    0.57189   0.57195   0.57209   0.57550   0.58980
     Eigenvalues ---    0.61798   0.63845   0.65998   0.66067   0.67649
     Eigenvalues ---    0.67657   0.67673   0.68977   0.69896   0.70086
     Eigenvalues ---    0.74144   0.75676   0.80050
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    38   37   36   35   34   33   32   31   30   29
 RFO step:  Lambda=-1.42629073D-06.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 DIIS inversion failure, remove point   4.
 RFO-DIIS uses    3 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.94033   -2.00000    1.05967    0.00000    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00363954 RMS(Int)=  0.00001193
 Iteration  2 RMS(Cart)=  0.00003032 RMS(Int)=  0.00000259
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00000259
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64738  -0.00003   0.00000   0.00001   0.00001   2.64739
    R2        2.66035   0.00001   0.00001   0.00000   0.00001   2.66035
    R3        2.80227   0.00003   0.00004   0.00002   0.00006   2.80232
    R4        2.64576   0.00004  -0.00000  -0.00002  -0.00002   2.64573
    R5        2.04883  -0.00000   0.00001  -0.00000   0.00000   2.04884
    R6        2.66499  -0.00001  -0.00005  -0.00003  -0.00008   2.66491
    R7        2.79053   0.00000  -0.00002  -0.00000  -0.00003   2.79050
    R8        2.64655   0.00001  -0.00001  -0.00002  -0.00003   2.64652
    R9        2.78160  -0.00000   0.00004   0.00004   0.00008   2.78169
   R10        2.62036  -0.00002   0.00001   0.00001   0.00002   2.62038
   R11        2.04844  -0.00000  -0.00000   0.00001   0.00000   2.04844
   R12        2.05097   0.00000  -0.00000   0.00000  -0.00000   2.05096
   R13        2.67858  -0.00000  -0.00001  -0.00001  -0.00002   2.67856
   R14        2.64428   0.00004   0.00001   0.00000   0.00001   2.64429
   R15        2.84440  -0.00001  -0.00004  -0.00002  -0.00006   2.84434
   R16        2.64368   0.00003   0.00004   0.00002   0.00006   2.64374
   R17        2.84938   0.00007  -0.00001  -0.00001  -0.00002   2.84936
   R18        2.70419   0.00008  -0.00015  -0.00023  -0.00038   2.70381
   R19        3.90367  -0.00001   0.00012   0.00028   0.00040   3.90407
   R20        2.43186  -0.00000   0.00000  -0.00001  -0.00001   2.43186
   R21        2.64733  -0.00004  -0.00002  -0.00000  -0.00002   2.64731
   R22        2.04795  -0.00000   0.00001  -0.00000   0.00001   2.04796
   R23        2.64920   0.00003   0.00002   0.00001   0.00003   2.64924
   R24        2.80102   0.00002  -0.00003  -0.00002  -0.00005   2.80097
   R25        2.62520  -0.00004  -0.00002  -0.00001  -0.00003   2.62517
   R26        2.05045  -0.00000  -0.00000   0.00001   0.00001   2.05046
   R27        2.04121  -0.00000  -0.00002   0.00001  -0.00000   2.04120
   R28        2.69829  -0.00008   0.00001   0.00004   0.00005   2.69834
   R29        3.32106   0.00001  -0.00001  -0.00004  -0.00004   3.32101
   R30        5.34874   0.00004   0.00005  -0.00015  -0.00010   5.34864
   R31        2.67051   0.00004  -0.00002  -0.00001  -0.00003   2.67049
   R32        2.65254   0.00003   0.00001   0.00001   0.00002   2.65256
   R33        2.61820  -0.00014  -0.00003  -0.00002  -0.00004   2.61815
   R34        2.64920   0.00004   0.00002   0.00000   0.00002   2.64922
   R35        2.62564  -0.00002  -0.00001  -0.00001  -0.00002   2.62562
   R36        2.03790  -0.00000  -0.00001  -0.00002  -0.00003   2.03787
   R37        2.65800   0.00002   0.00001   0.00000   0.00002   2.65802
   R38        2.05124   0.00000   0.00000  -0.00000   0.00000   2.05124
   R39        2.63443  -0.00003  -0.00001  -0.00002  -0.00004   2.63440
   R40        2.80127   0.00002   0.00001   0.00000   0.00002   2.80128
   R41        2.04947   0.00000   0.00000   0.00000   0.00000   2.04947
   R42        2.65590  -0.00001  -0.00000  -0.00000  -0.00000   2.65590
   R43        2.65576  -0.00001  -0.00000  -0.00000  -0.00001   2.65575
   R44        2.65546  -0.00000   0.00001  -0.00000   0.00001   2.65547
   R45        2.65555  -0.00001   0.00000  -0.00000  -0.00000   2.65555
   R46        2.65549  -0.00001   0.00001  -0.00000   0.00001   2.65549
   R47        2.65562  -0.00001  -0.00000  -0.00001  -0.00001   2.65561
   R48        2.62904   0.00000  -0.00001  -0.00001  -0.00002   2.62902
   R49        2.05132  -0.00000  -0.00000   0.00001   0.00000   2.05132
   R50        2.64730  -0.00000   0.00002   0.00002   0.00004   2.64734
   R51        2.05000  -0.00000   0.00000  -0.00001  -0.00001   2.04999
   R52        2.64701  -0.00000   0.00001   0.00002   0.00003   2.64704
   R53        2.67987  -0.00001  -0.00004  -0.00006  -0.00009   2.67978
   R54        2.62932   0.00000  -0.00001  -0.00001  -0.00001   2.62931
   R55        2.04999  -0.00000   0.00000  -0.00001  -0.00001   2.04998
   R56        2.05148   0.00000   0.00000   0.00000   0.00000   2.05149
   R57        2.62922  -0.00000  -0.00000  -0.00000  -0.00000   2.62922
   R58        2.05122   0.00000  -0.00000  -0.00000  -0.00000   2.05122
   R59        2.64693   0.00000  -0.00000   0.00000   0.00000   2.64693
   R60        2.05002  -0.00000   0.00000  -0.00000   0.00000   2.05002
   R61        2.64696  -0.00000  -0.00000  -0.00000  -0.00000   2.64696
   R62        2.68028  -0.00001  -0.00000  -0.00001  -0.00001   2.68027
   R63        2.62915   0.00001   0.00000  -0.00000  -0.00000   2.62915
   R64        2.05004  -0.00000   0.00000  -0.00000   0.00000   2.05005
   R65        2.05142   0.00000  -0.00000  -0.00000  -0.00000   2.05142
   R66        2.62962   0.00000  -0.00001  -0.00000  -0.00001   2.62961
   R67        2.05153   0.00000   0.00000  -0.00000  -0.00000   2.05152
   R68        2.64644   0.00000   0.00000   0.00000   0.00001   2.64645
   R69        2.05016  -0.00000   0.00000  -0.00000   0.00000   2.05016
   R70        2.64672  -0.00000  -0.00000   0.00000  -0.00000   2.64672
   R71        2.68140  -0.00001  -0.00000  -0.00001  -0.00001   2.68140
   R72        2.62927   0.00001   0.00000   0.00000   0.00000   2.62928
   R73        2.05013  -0.00000   0.00000  -0.00000   0.00000   2.05013
   R74        2.05136   0.00000  -0.00000   0.00000   0.00000   2.05136
   R75        2.64733   0.00001   0.00001   0.00000   0.00001   2.64734
   R76        2.64731   0.00001   0.00001   0.00000   0.00001   2.64732
   R77        2.64754   0.00000   0.00004   0.00005   0.00009   2.64764
   R78        2.64768  -0.00000   0.00004   0.00004   0.00008   2.64776
   R79        2.64679   0.00001   0.00001   0.00001   0.00002   2.64680
   R80        2.64644   0.00001   0.00001   0.00001   0.00002   2.64646
   R81        2.67970  -0.00000  -0.00001  -0.00001  -0.00002   2.67968
   R82        2.64107  -0.00000  -0.00000   0.00000   0.00000   2.64107
   R83        2.73647  -0.00001  -0.00001  -0.00001  -0.00002   2.73645
   R84        2.64485  -0.00000  -0.00000  -0.00000  -0.00001   2.64485
   R85        2.67965   0.00000  -0.00001  -0.00001  -0.00002   2.67963
   R86        2.64488  -0.00000  -0.00000  -0.00000  -0.00001   2.64487
   R87        2.64104  -0.00000  -0.00000   0.00000   0.00000   2.64105
   R88        2.67974  -0.00000  -0.00000  -0.00000  -0.00001   2.67974
   R89        2.64109   0.00000  -0.00000  -0.00000  -0.00001   2.64108
   R90        2.73645  -0.00001  -0.00000  -0.00001  -0.00001   2.73644
   R91        2.64490  -0.00000   0.00000   0.00000   0.00000   2.64490
   R92        2.67979  -0.00000  -0.00000   0.00000  -0.00000   2.67979
   R93        2.64488  -0.00000   0.00000   0.00000   0.00000   2.64488
   R94        2.64107   0.00000  -0.00000  -0.00000  -0.00001   2.64106
   R95        2.67991  -0.00000  -0.00000  -0.00000  -0.00000   2.67991
   R96        2.64111   0.00000  -0.00000  -0.00000  -0.00001   2.64111
   R97        2.73639  -0.00001  -0.00000  -0.00001  -0.00001   2.73638
   R98        2.64499  -0.00000   0.00000   0.00000   0.00000   2.64499
   R99        2.68006  -0.00000  -0.00000  -0.00000  -0.00001   2.68005
   R100       2.64493  -0.00000   0.00000   0.00000   0.00000   2.64493
   R101       2.64114   0.00000  -0.00000  -0.00000  -0.00001   2.64113
   R102       2.62967  -0.00000   0.00000  -0.00000   0.00000   2.62967
   R103       2.05272   0.00000  -0.00000  -0.00000  -0.00000   2.05271
   R104       2.65528   0.00000  -0.00001  -0.00001  -0.00002   2.65527
   R105       2.05144   0.00000   0.00000  -0.00000   0.00000   2.05144
   R106       2.63266  -0.00000   0.00000   0.00000   0.00000   2.63266
   R107       2.05227   0.00000  -0.00000  -0.00000  -0.00000   2.05227
   R108       2.04889   0.00000  -0.00000  -0.00001  -0.00001   2.04888
   R109       2.63267  -0.00000   0.00000   0.00000   0.00001   2.63267
   R110       2.04890   0.00000  -0.00000  -0.00001  -0.00001   2.04889
   R111       2.65528  -0.00000  -0.00001  -0.00001  -0.00002   2.65527
   R112       2.05230   0.00000  -0.00000  -0.00000  -0.00000   2.05230
   R113       2.62970  -0.00000   0.00000  -0.00000   0.00000   2.62970
   R114       2.05147   0.00000   0.00000   0.00000   0.00000   2.05147
   R115       2.05272   0.00000  -0.00000  -0.00000  -0.00000   2.05272
   R116       2.62970  -0.00000   0.00000  -0.00000   0.00000   2.62970
   R117       2.05275   0.00000  -0.00000  -0.00000  -0.00000   2.05274
   R118       2.65534  -0.00000  -0.00000  -0.00000  -0.00001   2.65533
   R119       2.05148   0.00000   0.00000   0.00000   0.00000   2.05148
   R120       2.63264  -0.00000   0.00000  -0.00000   0.00000   2.63264
   R121       2.05230   0.00000  -0.00000  -0.00000  -0.00000   2.05230
   R122       2.04891  -0.00000   0.00000  -0.00000  -0.00000   2.04891
   R123       2.63263  -0.00000   0.00000  -0.00000   0.00000   2.63263
   R124       2.04892  -0.00000   0.00000  -0.00000  -0.00000   2.04892
   R125       2.65536  -0.00000  -0.00000  -0.00000  -0.00000   2.65536
   R126       2.05229   0.00000   0.00000  -0.00000  -0.00000   2.05229
   R127       2.62969  -0.00000   0.00001  -0.00000   0.00000   2.62969
   R128       2.05147   0.00000   0.00000   0.00000   0.00000   2.05147
   R129       2.05274   0.00000  -0.00000  -0.00000  -0.00000   2.05274
   R130       2.62975  -0.00000   0.00000   0.00000   0.00000   2.62975
   R131       2.05276   0.00000  -0.00000   0.00000  -0.00000   2.05276
   R132       2.65544  -0.00000  -0.00000  -0.00000  -0.00001   2.65543
   R133       2.05150   0.00000   0.00000   0.00000   0.00000   2.05150
   R134       2.63260  -0.00000   0.00000  -0.00000   0.00000   2.63260
   R135       2.05237   0.00000  -0.00000  -0.00000  -0.00000   2.05236
   R136       2.04899  -0.00000   0.00000  -0.00000  -0.00000   2.04899
   R137       2.63254  -0.00000   0.00000  -0.00000   0.00000   2.63254
   R138       2.04896  -0.00000   0.00000  -0.00000  -0.00000   2.04896
   R139       2.65552  -0.00000  -0.00000  -0.00000  -0.00001   2.65551
   R140       2.05230   0.00000  -0.00000  -0.00000  -0.00000   2.05230
   R141       2.62965  -0.00000   0.00000  -0.00000   0.00000   2.62965
   R142       2.05149   0.00000   0.00000   0.00000   0.00000   2.05149
   R143       2.05276   0.00000  -0.00000   0.00000  -0.00000   2.05276
   R144       2.78533   0.00001  -0.00001  -0.00000  -0.00001   2.78532
   R145       3.03103  -0.00001   0.00002   0.00004   0.00007   3.03109
   R146       3.04432   0.00002  -0.00000   0.00000   0.00000   3.04432
   R147       2.76323   0.00013   0.00011   0.00008   0.00020   2.76343
   R148       2.75562   0.00000  -0.00001  -0.00002  -0.00003   2.75559
   R149       2.86311  -0.00001  -0.00001  -0.00001  -0.00002   2.86309
   R150       2.06508  -0.00002  -0.00000  -0.00005  -0.00004   2.06504
   R151       2.06439  -0.00002   0.00001   0.00000   0.00002   2.06442
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   A229       2.11712   0.00000  -0.00001  -0.00000  -0.00001   2.11711
   A230       2.11148  -0.00000   0.00001  -0.00000   0.00001   2.11149
   A231       2.11981   0.00000  -0.00000  -0.00000  -0.00001   2.11981
   A232       2.07829  -0.00000   0.00000   0.00000   0.00001   2.07829
   A233       2.08508   0.00000   0.00000  -0.00000   0.00000   2.08508
   A234       2.10420  -0.00000   0.00001   0.00000   0.00001   2.10420
   A235       2.08716  -0.00000   0.00000   0.00000   0.00001   2.08717
   A236       2.09182   0.00000  -0.00001  -0.00000  -0.00001   2.09181
   A237       2.07977   0.00000  -0.00000  -0.00000  -0.00000   2.07977
   A238       2.10028  -0.00000   0.00001   0.00001   0.00001   2.10029
   A239       2.10312   0.00000  -0.00001  -0.00001  -0.00001   2.10311
   A240       2.01712  -0.00001   0.00001  -0.00001  -0.00001   2.01711
   A241       1.84577  -0.00001  -0.00001  -0.00006  -0.00007   1.84570
   A242       1.73076   0.00002  -0.00003  -0.00008  -0.00010   1.73066
   A243       2.02804   0.00002  -0.00005  -0.00010  -0.00015   2.02789
   A244       2.03103  -0.00001   0.00004   0.00007   0.00012   2.03114
   A245       1.77123  -0.00000   0.00004   0.00020   0.00023   1.77146
   A246       2.11460  -0.00002  -0.00017  -0.00020  -0.00039   2.11421
   A247       2.06296  -0.00001  -0.00000  -0.00000  -0.00001   2.06296
   A248       1.87708  -0.00000  -0.00009  -0.00016  -0.00023   1.87685
   A249       1.88188  -0.00001   0.00009   0.00032   0.00040   1.88228
   A250       1.89491   0.00000  -0.00008  -0.00023  -0.00030   1.89461
   A251       1.95480   0.00000   0.00002   0.00007   0.00009   1.95489
   A252       1.95969   0.00000   0.00003   0.00001   0.00003   1.95972
   A253       1.89308   0.00000   0.00002  -0.00002   0.00002   1.89310
   A254       1.91051  -0.00000   0.00001   0.00000   0.00001   1.91052
   A255       1.93759   0.00000   0.00000   0.00004   0.00004   1.93763
   A256       1.93709   0.00000  -0.00001  -0.00003  -0.00004   1.93705
   A257       1.89098  -0.00000  -0.00000  -0.00001  -0.00001   1.89097
   A258       1.89060   0.00000  -0.00000   0.00001   0.00001   1.89061
   A259       1.89587  -0.00000  -0.00000  -0.00001  -0.00002   1.89586
   A260       1.88144  -0.00001  -0.00002  -0.00001  -0.00003   1.88141
   A261       1.89022   0.00001   0.00006   0.00007   0.00012   1.89034
   A262       1.89451  -0.00000  -0.00004  -0.00003  -0.00006   1.89445
   A263       1.94739  -0.00000  -0.00000  -0.00000  -0.00001   1.94738
   A264       1.95114   0.00000   0.00001  -0.00001   0.00001   1.95115
   A265       1.89749  -0.00000  -0.00001  -0.00002  -0.00003   1.89746
   A266       1.93701   0.00000   0.00000  -0.00000  -0.00000   1.93701
   A267       1.91349   0.00000   0.00000   0.00001   0.00001   1.91350
   A268       1.93470  -0.00000  -0.00000  -0.00001  -0.00001   1.93469
   A269       1.89201  -0.00000   0.00000   0.00001   0.00001   1.89201
   A270       1.89328   0.00000  -0.00000  -0.00000  -0.00001   1.89327
   A271       1.89225   0.00000  -0.00000   0.00000  -0.00000   1.89225
   A272       1.93978   0.00001   0.00371   0.00795   0.01166   1.95144
   A273       1.61116  -0.00000  -0.00365  -0.00790  -0.01154   1.59963
   A274       1.73319   0.00002   0.00063   0.00143   0.00206   1.73525
   A275       1.81119   0.00001  -0.00064  -0.00100  -0.00165   1.80954
   A276       1.23700   0.00000   0.00053   0.00119   0.00172   1.23872
   A277       1.33775   0.00000  -0.00045  -0.00072  -0.00117   1.33658
   A278       0.55258  -0.00001  -0.00071  -0.00139  -0.00212   0.55046
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    D2        3.11105  -0.00000   0.00001  -0.00001   0.00001   3.11106
    D3       -3.13077  -0.00000   0.00002   0.00001   0.00003  -3.13074
    D4       -0.03050  -0.00000   0.00002  -0.00001   0.00001  -0.03048
    D5       -0.03102   0.00000  -0.00003  -0.00005  -0.00008  -0.03110
    D6        3.10418   0.00000  -0.00001  -0.00003  -0.00004   3.10414
    D7        3.11053   0.00000  -0.00004  -0.00005  -0.00009   3.11045
    D8       -0.03746   0.00000  -0.00002  -0.00003  -0.00005  -0.03751
    D9        2.49515  -0.00001   0.00025   0.00033   0.00058   2.49573
   D10       -0.64725  -0.00001   0.00025   0.00034   0.00059  -0.64666
   D11       -0.64639  -0.00000   0.00026   0.00033   0.00059  -0.64581
   D12        2.49439  -0.00000   0.00026   0.00033   0.00059   2.49498
   D13        0.03401  -0.00000   0.00002   0.00005   0.00007   0.03408
   D14       -3.02096  -0.00001  -0.00012  -0.00003  -0.00015  -3.02111
   D15       -3.06595  -0.00000   0.00001   0.00007   0.00008  -3.06586
   D16        0.16227  -0.00001  -0.00013  -0.00001  -0.00014   0.16213
   D17       -0.05915   0.00000  -0.00003  -0.00008  -0.00010  -0.05925
   D18        3.04856   0.00001  -0.00022  -0.00025  -0.00047   3.04809
   D19        3.00003   0.00001   0.00011   0.00000   0.00012   3.00014
   D20       -0.17545   0.00001  -0.00008  -0.00017  -0.00025  -0.17570
   D21       -2.91447  -0.00000   0.00058   0.00047   0.00105  -2.91341
   D22        0.35756  -0.00000   0.00051   0.00054   0.00105   0.35861
   D23        0.31331  -0.00000   0.00044   0.00039   0.00082   0.31413
   D24       -2.69786  -0.00001   0.00037   0.00046   0.00083  -2.69703
   D25        0.04011  -0.00000   0.00001   0.00004   0.00005   0.04016
   D26       -3.11515  -0.00000   0.00003   0.00004   0.00007  -3.11508
   D27       -3.06759  -0.00001   0.00020   0.00021   0.00041  -3.06718
   D28        0.06033  -0.00001   0.00023   0.00021   0.00044   0.06077
   D29       -0.38757  -0.00000  -0.00024  -0.00016  -0.00040  -0.38797
   D30        2.82673  -0.00000  -0.00025  -0.00028  -0.00053   2.82620
   D31        2.72002   0.00000  -0.00043  -0.00033  -0.00077   2.71926
   D32       -0.34886   0.00000  -0.00044  -0.00045  -0.00089  -0.34975
   D33        0.00577  -0.00000   0.00002   0.00003   0.00005   0.00582
   D34       -3.12942  -0.00000  -0.00000   0.00001   0.00001  -3.12942
   D35       -3.12180  -0.00000  -0.00001   0.00002   0.00002  -3.12178
   D36        0.02619  -0.00000  -0.00003   0.00001  -0.00002   0.02617
   D37        0.13072  -0.00000  -0.00044  -0.00026  -0.00070   0.13002
   D38       -2.91497  -0.00001  -0.00035  -0.00005  -0.00040  -2.91537
   D39       -3.13901   0.00000  -0.00038  -0.00033  -0.00072  -3.13972
   D40        0.09848  -0.00000  -0.00028  -0.00013  -0.00041   0.09807
   D41        2.98516   0.00000   0.00026   0.00005   0.00031   2.98547
   D42       -0.07369   0.00000   0.00023   0.00004   0.00027  -0.07343
   D43       -0.02738  -0.00000   0.00019   0.00012   0.00031  -0.02706
   D44       -3.08623  -0.00000   0.00016   0.00011   0.00027  -3.08596
   D45       -0.65975   0.00001   0.00013  -0.00003   0.00010  -0.65965
   D46       -3.01321   0.00002   0.00011  -0.00001   0.00011  -3.01310
   D47        1.17837   0.00001   0.00000   0.00007   0.00007   1.17844
   D48        2.38179   0.00002   0.00002  -0.00025  -0.00022   2.38157
   D49        0.02833   0.00003   0.00000  -0.00022  -0.00022   0.02811
   D50       -2.06328   0.00002  -0.00010  -0.00015  -0.00025  -2.06353
   D51       -0.09506   0.00000   0.00017   0.00004   0.00020  -0.09485
   D52        3.01915   0.00001   0.00010   0.00005   0.00015   3.01930
   D53       -3.13672  -0.00000   0.00027   0.00025   0.00052  -3.13620
   D54       -0.02251  -0.00000   0.00020   0.00027   0.00047  -0.02204
   D55        0.78132  -0.00000   0.00022   0.00025   0.00047   0.78179
   D56       -2.43715   0.00000   0.00023   0.00037   0.00060  -2.43656
   D57       -3.12977   0.00000   0.00030   0.00025   0.00055  -3.12922
   D58       -0.06506   0.00001   0.00031   0.00037   0.00068  -0.06438
   D59       -1.16699  -0.00001   0.00028   0.00018   0.00046  -1.16653
   D60        1.89772  -0.00001   0.00029   0.00030   0.00059   1.89831
   D61        2.37773  -0.00001  -0.00027  -0.00021  -0.00049   2.37724
   D62       -1.11534  -0.00000   0.00026   0.00047   0.00073  -1.11461
   D63        0.05833  -0.00002  -0.00027  -0.00012  -0.00040   0.05793
   D64        2.84845  -0.00001   0.00026   0.00056   0.00081   2.84927
   D65        2.39946   0.00000  -0.00126  -0.00251  -0.00378   2.39567
   D66        1.84066   0.00000  -0.00070  -0.00144  -0.00213   1.83854
   D67       -1.88631   0.00001  -0.00137  -0.00258  -0.00396  -1.89027
   D68       -2.44510   0.00001  -0.00081  -0.00151  -0.00231  -2.44741
   D69        3.10177   0.00000  -0.00011  -0.00014  -0.00025   3.10151
   D70        0.03965   0.00000  -0.00011  -0.00027  -0.00039   0.03926
   D71       -0.04934   0.00000   0.00002  -0.00002   0.00000  -0.04934
   D72        3.13196   0.00000   0.00003  -0.00000   0.00003   3.13199
   D73        3.01001   0.00001   0.00005  -0.00002   0.00003   3.01004
   D74       -0.09188   0.00000   0.00005   0.00001   0.00006  -0.09182
   D75        0.05450  -0.00000  -0.00015  -0.00007  -0.00022   0.05428
   D76       -3.10894  -0.00000  -0.00014  -0.00006  -0.00019  -3.10914
   D77       -3.12705   0.00000  -0.00015  -0.00009  -0.00025  -3.12730
   D78       -0.00731   0.00000  -0.00014  -0.00008  -0.00022  -0.00753
   D79        2.47817   0.00001   0.00008  -0.00009  -0.00001   2.47816
   D80       -0.66488   0.00001   0.00010  -0.00009   0.00001  -0.66487
   D81       -0.62218   0.00001   0.00009  -0.00007   0.00002  -0.62216
   D82        2.51795   0.00001   0.00011  -0.00007   0.00004   2.51799
   D83        0.01769  -0.00000   0.00006   0.00006   0.00012   0.01781
   D84       -3.09710  -0.00000   0.00012   0.00005   0.00017  -3.09693
   D85       -3.10223  -0.00000   0.00004   0.00005   0.00009  -3.10214
   D86        0.06616  -0.00000   0.00011   0.00003   0.00014   0.06631
   D87       -0.03329   0.00002   0.00008  -0.00018  -0.00010  -0.03338
   D88       -3.13025   0.00001   0.00006  -0.00026  -0.00020  -3.13045
   D89       -2.81855   0.00001  -0.00047  -0.00086  -0.00133  -2.81988
   D90        0.36767   0.00001  -0.00049  -0.00094  -0.00143   0.36624
   D91       -0.93052   0.00003   0.00001  -0.00038  -0.00038  -0.93090
   D92        2.25570   0.00003  -0.00001  -0.00047  -0.00048   2.25522
   D93        0.13895  -0.00001  -0.00029  -0.00067  -0.00096   0.13799
   D94       -2.13095  -0.00001  -0.00022  -0.00047  -0.00069  -2.13164
   D95        2.32353  -0.00002  -0.00025  -0.00064  -0.00089   2.32264
   D96        2.92881   0.00000   0.00025   0.00000   0.00025   2.92905
   D97        0.65891  -0.00001   0.00031   0.00020   0.00051   0.65942
   D98       -1.16980  -0.00001   0.00028   0.00003   0.00031  -1.16948
   D99        0.75890  -0.00000  -0.00011  -0.00034  -0.00046   0.75845
   D100      -1.51100  -0.00001  -0.00005  -0.00014  -0.00019  -1.51119
   D101       2.94348  -0.00001  -0.00008  -0.00031  -0.00039   2.94309
   D102      -1.14224  -0.00003  -0.00159  -0.00281  -0.00441  -1.14665
   D103      -1.70905  -0.00002  -0.00101  -0.00165  -0.00264  -1.71170
   D104       1.02473  -0.00000  -0.00133  -0.00249  -0.00383   1.02091
   D105       0.45792   0.00000  -0.00075  -0.00133  -0.00206   0.45586
   D106       0.00530  -0.00001   0.00014   0.00030   0.00044   0.00573
   D107      -3.11626  -0.00001   0.00007   0.00015   0.00022  -3.11604
   D108       3.10478  -0.00000   0.00015   0.00038   0.00054   3.10531
   D109      -0.01678  -0.00000   0.00008   0.00023   0.00032  -0.01646
   D110       3.11845   0.00000  -0.00006  -0.00013  -0.00020   3.11826
   D111      -0.02062   0.00001  -0.00007  -0.00018  -0.00025  -0.02087
   D112       0.02086   0.00000  -0.00008  -0.00021  -0.00030   0.02056
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   D116       0.00089   0.00000  -0.00002  -0.00008  -0.00010   0.00079
   D117       3.11409   0.00000  -0.00001  -0.00003  -0.00004   3.11405
   D118      -3.12178   0.00000  -0.00009  -0.00022  -0.00031  -3.12209
   D119      -0.00859   0.00000  -0.00008  -0.00017  -0.00025  -0.00884
   D120      -0.00929   0.00000   0.00002   0.00004   0.00006  -0.00923
   D121       3.11115   0.00000   0.00001   0.00002   0.00003   3.11117
   D122       3.12984  -0.00000   0.00002   0.00009   0.00011   3.12995
   D123      -0.03291   0.00000   0.00002   0.00006   0.00008  -0.03283
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   D126      -3.12701  -0.00000   0.00005   0.00014   0.00019  -3.12682
   D127       0.01997  -0.00000   0.00004   0.00009   0.00014   0.02011
   D128       0.01095   0.00000  -0.00004  -0.00010  -0.00014   0.01081
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   D131       0.03538  -0.00000  -0.00005  -0.00010  -0.00014   0.03524
   D132       0.61470   0.00001  -0.00003  -0.00001  -0.00004   0.61466
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   D134      -2.52124   0.00001  -0.00004  -0.00006  -0.00010  -2.52134
   D135       0.61983   0.00001  -0.00006  -0.00009  -0.00015   0.61967
   D136      -3.13282   0.00000  -0.00001  -0.00001  -0.00003  -3.13284
   D137      -0.03736   0.00000  -0.00003  -0.00004  -0.00008  -0.03743
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   D139       3.10502   0.00000  -0.00003  -0.00005  -0.00008   3.10494
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   D142       0.00628  -0.00000   0.00001   0.00001   0.00003   0.00631
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   D163       0.00527  -0.00000  -0.00005  -0.00009  -0.00014   0.00513
   D164       0.00763  -0.00000   0.00001   0.00001   0.00001   0.00765
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   D166      -3.11067  -0.00000   0.00004   0.00008   0.00012  -3.11055
   D167       0.03096   0.00000   0.00005   0.00008   0.00014   0.03109
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   D171       0.03240  -0.00000   0.00003   0.00006   0.00009   0.03249
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   D398       3.14015  -0.00000  -0.00001  -0.00001  -0.00002   3.14013
   D399      -0.00631  -0.00000  -0.00003  -0.00002  -0.00006  -0.00636
   D400       1.62318   0.00001   0.00137   0.00263   0.00400   1.62717
   D401      -0.64038   0.00002   0.00141   0.00278   0.00418  -0.63620
   D402      -2.86104   0.00002   0.00135   0.00260   0.00395  -2.85709
   D403      -3.09047  -0.00001  -0.00060  -0.00078  -0.00138  -3.09185
   D404      -0.91560  -0.00002  -0.00059  -0.00081  -0.00140  -0.91700
   D405       1.30311  -0.00001  -0.00060  -0.00074  -0.00134   1.30178
   D406       2.76419   0.00000   0.00251   0.00576   0.00827   2.77246
   D407      -1.40788  -0.00000   0.00253   0.00594   0.00847  -1.39941
   D408       0.63979  -0.00000   0.00256   0.00597   0.00855   0.64833
   D409       2.98170   0.00003   0.00190   0.00197   0.00388   2.98558
   D410      -1.19201   0.00003   0.00192   0.00200   0.00392  -1.18808
   D411       0.86525   0.00003   0.00192   0.00200   0.00392   0.86917
   D412       3.11720  -0.00000   0.00020   0.00056   0.00075   3.11795
   D413      -1.07922  -0.00000   0.00020   0.00058   0.00078  -1.07844
   D414       1.03121  -0.00000   0.00020   0.00057   0.00076   1.03197
   D415       1.05254   0.00001   0.00013   0.00022   0.00036   1.05290
   D416       3.13931   0.00000   0.00013   0.00024   0.00038   3.13970
   D417      -1.03344   0.00001   0.00013   0.00023   0.00037  -1.03308
   D418      -1.08247  -0.00000   0.00007   0.00019   0.00025  -1.08222
   D419       1.00430  -0.00000   0.00007   0.00021   0.00027   1.00457
   D420       3.11473  -0.00000   0.00007   0.00019   0.00026   3.11499
   D421       1.27550   0.00000  -0.00265  -0.00571  -0.00837   1.26713
   D422      -2.94588  -0.00000  -0.00268  -0.00565  -0.00835  -2.95423
   D423      -0.77335   0.00000  -0.00262  -0.00561  -0.00824  -0.78159
   D424      -1.41131  -0.00000  -0.00092  -0.00205  -0.00297  -1.41428
   D425       2.79882  -0.00000  -0.00079  -0.00172  -0.00251   2.79631
   D426       0.62919  -0.00001  -0.00084  -0.00180  -0.00266   0.62654
   D427       1.04440   0.00000   0.00019   0.00019   0.00038   1.04478
   D428       3.13400   0.00000   0.00019   0.00020   0.00039   3.13439
   D429      -1.06074   0.00000   0.00019   0.00020   0.00039  -1.06034
   D430      -1.02890  -0.00000   0.00013   0.00012   0.00025  -1.02865
   D431       1.06070   0.00000   0.00013   0.00013   0.00026   1.06096
   D432      -3.13404  -0.00000   0.00013   0.00013   0.00027  -3.13377
   D433       3.12516  -0.00000   0.00014   0.00015   0.00029   3.12545
   D434      -1.06843   0.00000   0.00014   0.00016   0.00030  -1.06812
   D435       1.02002  -0.00000   0.00014   0.00016   0.00030   1.02033
   D436      -1.34334   0.00001   0.00317   0.00621   0.00940  -1.33394
   D437      -1.24495  -0.00000   0.00243   0.00488   0.00733  -1.23762
   D438       0.42264  -0.00000   0.00102   0.00218   0.00322   0.42586
   D439       1.09730   0.00002   0.00175   0.00332   0.00506   1.10237
   D440       0.91822   0.00001   0.00134   0.00259   0.00393   0.92216
   D441      -0.39305   0.00001  -0.00027  -0.00060  -0.00087  -0.39392
         Item               Value     Threshold  Converged?
 Maximum Force            0.000145     0.000450     YES
 RMS     Force            0.000011     0.000300     YES
 Maximum Displacement     0.032121     0.001800     NO 
 RMS     Displacement     0.003645     0.001200     NO 
 Predicted change in Energy=-6.102684D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.835857    2.898042    0.554415
      2          6           0       -2.067955    1.522697    0.685507
      3          6           0       -1.019182    0.596019    0.724449
      4          6           0        0.307236    1.071815    0.670383
      5          6           0        0.548713    2.441720    0.507942
      6          6           0       -0.504199    3.341977    0.447143
      7          6           0       -1.236328   -0.864553    0.712866
      8          6           0       -0.169397   -1.741973    1.030538
      9          6           0        1.120188   -1.155265    1.538721
     10          6           0        1.433328    0.136935    0.827610
     11          6           0       -2.438665   -1.403797    0.242090
     12          6           0       -2.617603   -2.778789    0.042378
     13          6           0       -1.518843   -3.618074    0.274097
     14          6           0       -0.318541   -3.104085    0.748353
     15          7           0        2.229162   -2.045374    1.697016
     16          6           0        3.523897   -1.636508    1.254993
     17          6           0        3.671803   -0.376044    0.633401
     18          7           0        2.608073    0.489995    0.438523
     19          6           0        4.664394   -2.448219    1.358397
     20          6           0        5.896091   -2.011076    0.886900
     21          6           0        6.061939   -0.753528    0.279046
     22          6           0        4.923511    0.042314    0.160597
     23          6           0       -2.963868    3.860350    0.529456
     24          6           0       -3.910411   -3.314228   -0.446390
     25          6           0        7.382500   -0.299152   -0.218046
     26          6           0       -3.959742   -4.384611   -1.355498
     27          6           0       -5.172778   -4.881678   -1.821276
     28          6           0       -6.379832   -4.330412   -1.372194
     29          6           0       -6.347757   -3.269514   -0.458096
     30          6           0       -5.129525   -2.766472   -0.012260
     31          6           0       -2.854625    5.119820    1.143519
     32          6           0       -3.912307    6.023689    1.132995
     33          6           0       -5.111277    5.698330    0.486035
     34          6           0       -5.232706    4.451114   -0.139819
     35          6           0       -4.176259    3.546356   -0.108167
     36          6           0        8.296841   -1.203004   -0.785224
     37          6           0        9.533611   -0.778404   -1.261107
     38          6           0        9.899711    0.570062   -1.167055
     39          6           0        9.002941    1.482544   -0.597127
     40          6           0        7.762099    1.051550   -0.138410
     41          7           0       -6.188816    6.620337    0.463828
     42          7           0       -7.618613   -4.840312   -1.837347
     43          7           0       11.163210    1.006212   -1.643202
     44          6           0       -8.022834   -6.181027   -1.791738
     45          6           0       -9.320782   -6.289885   -2.352341
     46          6           0       -9.717505   -4.957186   -2.756591
     47          6           0       -8.646490   -4.089710   -2.423214
     48          6           0       -7.500614    6.358586    0.880037
     49          6           0       -8.282534    7.527949    0.700947
     50          6           0       -7.405433    8.539961    0.150127
     51          6           0       -6.123959    7.947069    0.018745
     52          6           0       11.379890    2.033005   -2.570836
     53          6           0       12.774387    2.169386   -2.789729
     54          6           0       13.429088    1.183106   -1.955813
     55          6           0       12.406483    0.484149   -1.265091
     56          6           0      -10.861128   -4.436408   -3.372880
     57          6           0      -10.920188   -3.074524   -3.652560
     58          6           0       -9.843534   -2.231567   -3.329191
     59          6           0       -8.693967   -2.723778   -2.715122
     60          6           0       -7.357768   -7.292185   -1.266104
     61          6           0       -8.004428   -8.524533   -1.329471
     62          6           0       -9.284038   -8.652848   -1.895562
     63          6           0       -9.947560   -7.540230   -2.403802
     64          6           0       -7.595090    9.868353   -0.247756
     65          6           0       -6.519855   10.579379   -0.771973
     66          6           0       -5.260290    9.971783   -0.908891
     67          6           0       -5.043956    8.651552   -0.520285
     68          6           0       -8.041953    5.194145    1.431682
     69          6           0       -9.389702    5.209644    1.784018
     70          6           0      -10.182648    6.354903    1.599416
     71          6           0       -9.634434    7.516078    1.063119
     72          6           0       14.768656    0.846529   -1.729407
     73          6           0       15.069867   -0.165845   -0.823352
     74          6           0       14.044744   -0.838489   -0.136878
     75          6           0       12.703462   -0.523935   -0.343720
     76          6           0       10.451279    2.822571   -3.254644
     77          6           0       10.941425    3.769855   -4.150795
     78          6           0       12.320545    3.928143   -4.369118
     79          6           0       13.239791    3.129582   -3.695542
     80          8           0        0.754358   -3.508136    3.480944
     81         15           0        2.088155   -3.340533    2.876488
     82          8           0        3.307400   -3.133823    3.897998
     83          8           0        2.625854   -4.565025    1.978283
     84          6           0        3.139417   -2.364175    5.130019
     85          6           0        4.239018   -2.783969    6.084026
     86          6           0        2.622830   -5.901200    2.562194
     87          6           0        2.955852   -6.888292    1.461766
     88          1           0       -3.089168    1.176189    0.797493
     89          1           0        1.576473    2.780352    0.444171
     90          1           0       -0.299479    4.398899    0.309550
     91          1           0       -3.237136   -0.732060   -0.050650
     92          1           0       -1.605923   -4.685890    0.102249
     93          1           0        0.513303   -3.781942    0.871991
     94          1           0        4.603977   -3.428181    1.804449
     95          1           0        6.755196   -2.662085    1.014848
     96          1           0        4.956414    1.009649   -0.328685
     97          1           0       -3.035018   -4.807142   -1.735880
     98          1           0       -5.191809   -5.683999   -2.551158
     99          1           0       -7.279647   -2.859158   -0.083951
    100          1           0       -5.123616   -1.963423    0.718223
    101          1           0       -1.943471    5.378690    1.673616
    102          1           0       -3.823235    6.976556    1.643834
    103          1           0       -6.148249    4.206125   -0.667676
    104          1           0       -4.279107    2.596487   -0.623552
    105          1           0        8.020625   -2.247280   -0.893677
    106          1           0       10.212798   -1.484196   -1.727546
    107          1           0        9.292400    2.523287   -0.496924
    108          1           0        7.091289    1.768766    0.324188
    109          1           0      -11.689447   -5.089121   -3.633248
    110          1           0      -11.802453   -2.658377   -4.128899
    111          1           0       -9.904394   -1.173090   -3.564461
    112          1           0       -7.863536   -2.067907   -2.479003
    113          1           0       -6.375154   -7.200476   -0.817100
    114          1           0       -7.507070   -9.402769   -0.928471
    115          1           0       -9.759254   -9.628261   -1.930911
    116          1           0      -10.941466   -7.638509   -2.830925
    117          1           0       -8.571059   10.335628   -0.152302
    118          1           0       -6.654094   11.610826   -1.082808
    119          1           0       -4.435794   10.540093   -1.329235
    120          1           0       -4.071340    8.187367   -0.639104
    121          1           0       -7.434662    4.309640    1.587979
    122          1           0       -9.833280    4.316287    2.213665
    123          1           0      -11.230307    6.332878    1.883026
    124          1           0      -10.245595    8.404347    0.931098
    125          1           0       15.562416    1.372958   -2.251718
    126          1           0       16.105061   -0.436769   -0.640268
    127          1           0       14.300471   -1.619229    0.573462
    128          1           0       11.918929   -1.040859    0.197535
    129          1           0        9.385163    2.700076   -3.099651
    130          1           0       10.239321    4.396215   -4.693180
    131          1           0       12.669247    4.677342   -5.073132
    132          1           0       14.305183    3.245682   -3.872896
    133          1           0        3.202441   -1.303765    4.873682
    134          1           0        2.143520   -2.564427    5.531912
    135          1           0        4.157291   -2.207758    7.011013
    136          1           0        4.159594   -3.846468    6.331023
    137          1           0        5.225647   -2.599078    5.650140
    138          1           0        3.366744   -5.927331    3.365270
    139          1           0        1.634998   -6.090638    2.992438
    140          1           0        3.938096   -6.677012    1.030353
    141          1           0        2.968934   -7.903645    1.870069
    142          1           0        2.210422   -6.846740    0.663068
    143         17           0        0.733020   -0.353544    3.402979
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177670           0.0074047           0.0058234
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13524.4567813511 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.76D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000176    0.000008   -0.000123 Ang=   0.02 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.68069649     A.U. after    9 cycles
            NFock=  9  Conv=0.48D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000008087   -0.000045705    0.000000945
      2        6          -0.000028917    0.000039340   -0.000007731
      3        6           0.000040868   -0.000037937   -0.000002210
      4        6           0.000010014   -0.000018532    0.000039984
      5        6          -0.000020515    0.000022025   -0.000008756
      6        6           0.000030755    0.000008539   -0.000015652
      7        6           0.000022425    0.000042568    0.000008535
      8        6           0.000005018   -0.000004680   -0.000052909
      9        6          -0.000205020   -0.000034455    0.000011443
     10        6          -0.000032408    0.000154417   -0.000038973
     11        6          -0.000022367   -0.000063451   -0.000003984
     12        6          -0.000003571    0.000063596    0.000014271
     13        6           0.000038826    0.000002492    0.000017188
     14        6          -0.000030336   -0.000043153    0.000005248
     15        7           0.000345385   -0.000039174    0.000001723
     16        6          -0.000106192   -0.000064063   -0.000003151
     17        6          -0.000164400    0.000104061    0.000001351
     18        7           0.000131621   -0.000099397    0.000031084
     19        6           0.000035618    0.000001325   -0.000028043
     20        6          -0.000006222   -0.000029965    0.000029164
     21        6          -0.000048222    0.000020564   -0.000002028
     22        6           0.000062171   -0.000001383   -0.000015044
     23        6          -0.000014740    0.000007020   -0.000002482
     24        6          -0.000028924   -0.000020976   -0.000010463
     25        6           0.000019693    0.000007145   -0.000005084
     26        6           0.000009016    0.000005671    0.000013981
     27        6          -0.000015097    0.000006269   -0.000010700
     28        6           0.000007196    0.000005627    0.000008627
     29        6          -0.000001347   -0.000018802    0.000003026
     30        6           0.000019006    0.000008836   -0.000004912
     31        6          -0.000006798   -0.000011567    0.000009861
     32        6           0.000004288    0.000008603   -0.000010625
     33        6          -0.000014643    0.000001283   -0.000002994
     34        6          -0.000010439   -0.000000547    0.000014919
     35        6           0.000013175    0.000007758   -0.000009518
     36        6          -0.000012568    0.000003158   -0.000005880
     37        6           0.000006628    0.000003282    0.000010150
     38        6           0.000013786    0.000010461   -0.000006223
     39        6           0.000002196    0.000004264   -0.000012533
     40        6           0.000000763   -0.000013172    0.000010935
     41        7           0.000010653   -0.000010777    0.000001697
     42        7          -0.000020299   -0.000010319   -0.000021097
     43        7          -0.000012897   -0.000011001    0.000009556
     44        6          -0.000013953    0.000014119    0.000039825
     45        6          -0.000024877    0.000000408    0.000035117
     46        6           0.000017085   -0.000006083   -0.000038927
     47        6           0.000037917   -0.000003070   -0.000023522
     48        6           0.000008070   -0.000000493   -0.000016444
     49        6           0.000002331    0.000007503    0.000022391
     50        6          -0.000003357   -0.000009454   -0.000023457
     51        6           0.000001525    0.000004253    0.000013991
     52        6          -0.000001135    0.000004353    0.000008001
     53        6           0.000003267   -0.000015568   -0.000018504
     54        6          -0.000003412    0.000016184    0.000019358
     55        6          -0.000002928   -0.000006130   -0.000010111
     56        6          -0.000009205    0.000007119    0.000015657
     57        6          -0.000003605   -0.000009155    0.000001410
     58        6           0.000004206    0.000001139    0.000003183
     59        6          -0.000008541    0.000000713    0.000008741
     60        6           0.000005973   -0.000001619   -0.000011892
     61        6           0.000002454    0.000003169    0.000000420
     62        6          -0.000006651    0.000001110   -0.000005373
     63        6           0.000013122   -0.000003564   -0.000011896
     64        6           0.000004806    0.000006389    0.000009257
     65        6          -0.000008541   -0.000000903    0.000001566
     66        6          -0.000000035   -0.000003065    0.000000088
     67        6          -0.000002534    0.000004258    0.000003104
     68        6          -0.000006003   -0.000001321   -0.000001053
     69        6           0.000002826    0.000002356   -0.000000312
     70        6          -0.000005561    0.000006561   -0.000001802
     71        6          -0.000001000   -0.000006770   -0.000006993
     72        6           0.000001938   -0.000009556   -0.000006661
     73        6           0.000002831    0.000006306   -0.000003879
     74        6          -0.000001473    0.000001465   -0.000000691
     75        6           0.000002834   -0.000000821   -0.000003424
     76        6           0.000000810    0.000004393    0.000000462
     77        6           0.000000681   -0.000002281    0.000001658
     78        6           0.000008157    0.000002164    0.000000753
     79        6          -0.000005050    0.000006637    0.000005146
     80        8          -0.000007760   -0.000002502   -0.000009998
     81       15           0.000015522    0.000044838    0.000089378
     82        8           0.000043537   -0.000023262   -0.000127482
     83        8          -0.000053174   -0.000040508   -0.000049152
     84        6          -0.000048870    0.000043678    0.000156921
     85        6           0.000001650   -0.000004281   -0.000022955
     86        6           0.000033647    0.000012410    0.000023530
     87        6           0.000012427    0.000003900    0.000000805
     88        1          -0.000002899    0.000009483   -0.000003275
     89        1           0.000002592   -0.000005465    0.000005526
     90        1          -0.000006557   -0.000000563    0.000005621
     91        1           0.000000493   -0.000003235    0.000009018
     92        1           0.000001131    0.000004484   -0.000007990
     93        1          -0.000005234    0.000003870    0.000002757
     94        1          -0.000010603   -0.000008991   -0.000000511
     95        1           0.000002862    0.000003069   -0.000011108
     96        1          -0.000000108    0.000001710    0.000003434
     97        1          -0.000003652   -0.000002271   -0.000003756
     98        1           0.000003163   -0.000000469    0.000001291
     99        1           0.000000460    0.000003135    0.000000308
    100        1          -0.000004459   -0.000001666   -0.000000205
    101        1           0.000002584    0.000003546   -0.000003879
    102        1           0.000003443   -0.000003398    0.000003109
    103        1           0.000005548    0.000000194   -0.000004538
    104        1          -0.000001206   -0.000002696    0.000002949
    105        1           0.000002462   -0.000001242    0.000002210
    106        1          -0.000004591   -0.000002628   -0.000002479
    107        1          -0.000002580   -0.000002300    0.000004777
    108        1          -0.000001729    0.000001528   -0.000002906
    109        1           0.000001659   -0.000002430   -0.000000762
    110        1           0.000000699    0.000002199   -0.000000915
    111        1          -0.000000412    0.000000704   -0.000000243
    112        1           0.000000084    0.000000779   -0.000000590
    113        1          -0.000000398   -0.000000710    0.000002395
    114        1           0.000000475   -0.000000655    0.000000585
    115        1           0.000001546   -0.000000685    0.000001428
    116        1          -0.000001860    0.000001624    0.000000079
    117        1          -0.000001535   -0.000004039    0.000000156
    118        1           0.000002493    0.000000861    0.000000367
    119        1           0.000001998   -0.000000280    0.000000269
    120        1          -0.000000910    0.000003229   -0.000006989
    121        1          -0.000003872   -0.000002038    0.000006155
    122        1           0.000001529   -0.000001561    0.000000071
    123        1           0.000001035   -0.000002450    0.000000221
    124        1           0.000001957    0.000003258   -0.000001416
    125        1          -0.000002713    0.000002763   -0.000001158
    126        1          -0.000000199   -0.000002714    0.000000596
    127        1          -0.000000825   -0.000001444    0.000000609
    128        1           0.000003198    0.000001952    0.000005850
    129        1          -0.000000189    0.000001232   -0.000006420
    130        1          -0.000001819   -0.000000555   -0.000000011
    131        1          -0.000002799    0.000000298   -0.000000338
    132        1           0.000002110   -0.000002061    0.000002381
    133        1          -0.000000001   -0.000026436   -0.000013747
    134        1           0.000018577   -0.000010434   -0.000012991
    135        1          -0.000005005    0.000002265    0.000001084
    136        1           0.000000421    0.000002190    0.000002872
    137        1           0.000000245    0.000000215    0.000001773
    138        1          -0.000010289   -0.000001666    0.000009007
    139        1          -0.000004653   -0.000003971   -0.000011291
    140        1           0.000001088   -0.000001167    0.000000308
    141        1          -0.000001633   -0.000000451   -0.000000658
    142        1          -0.000001046    0.000002405    0.000000351
    143       17          -0.000021290    0.000029412   -0.000008309
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000345385 RMS     0.000030787

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000160804 RMS     0.000012129
 Search for a local minimum.
 Step number  39 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   20   21   22   23   24
                                                     25   26   27   28   29
                                                     30   31   32   33   34
                                                     35   36   37   38   39
 DE= -1.40D-06 DEPred=-6.10D-07 R= 2.29D+00
 TightC=F SS=  1.41D+00  RLast= 4.71D-02 DXNew= 1.0456D+00 1.4133D-01
 Trust test= 2.29D+00 RLast= 4.71D-02 DXMaxT set to 6.22D-01
 ITU=  1  1  0  1  0  0  0  0  0  0  1  0  1 -1  1  1  1  1  1  1
 ITU= -1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00025   0.00129   0.00212   0.00417   0.00420
     Eigenvalues ---    0.00513   0.00705   0.00785   0.00979   0.01613
     Eigenvalues ---    0.02002   0.02251   0.02522   0.02609   0.02616
     Eigenvalues ---    0.02655   0.02700   0.02706   0.02708   0.02714
     Eigenvalues ---    0.02724   0.02725   0.02726   0.02729   0.02737
     Eigenvalues ---    0.02739   0.02753   0.02764   0.02771   0.02772
     Eigenvalues ---    0.02774   0.02775   0.02778   0.02783   0.02785
     Eigenvalues ---    0.02786   0.02789   0.02790   0.02791   0.02791
     Eigenvalues ---    0.02792   0.02792   0.02793   0.02794   0.02795
     Eigenvalues ---    0.02798   0.02801   0.02802   0.02803   0.02804
     Eigenvalues ---    0.02804   0.02807   0.02808   0.02808   0.02808
     Eigenvalues ---    0.02809   0.02811   0.02813   0.02813   0.02817
     Eigenvalues ---    0.02817   0.02818   0.02818   0.02818   0.02819
     Eigenvalues ---    0.02820   0.02827   0.02829   0.02839   0.02840
     Eigenvalues ---    0.02844   0.02845   0.02845   0.02846   0.02847
     Eigenvalues ---    0.02849   0.02851   0.02861   0.02868   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02872   0.02873   0.02873
     Eigenvalues ---    0.02876   0.02877   0.02877   0.02878   0.02878
     Eigenvalues ---    0.02879   0.02881   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02886   0.02886   0.02887
     Eigenvalues ---    0.02890   0.02892   0.02894   0.02895   0.02897
     Eigenvalues ---    0.02898   0.02898   0.02899   0.02899   0.02900
     Eigenvalues ---    0.02907   0.02908   0.02910   0.02921   0.02936
     Eigenvalues ---    0.02942   0.02952   0.03024   0.03025   0.03026
     Eigenvalues ---    0.03037   0.03112   0.03129   0.03133   0.03134
     Eigenvalues ---    0.03148   0.03155   0.03259   0.03341   0.03629
     Eigenvalues ---    0.03879   0.03999   0.04677   0.05374   0.05567
     Eigenvalues ---    0.05579   0.05619   0.05726   0.05745   0.06026
     Eigenvalues ---    0.07486   0.08540   0.09400   0.10500   0.10973
     Eigenvalues ---    0.11432   0.11746   0.12690   0.13651   0.15215
     Eigenvalues ---    0.15622   0.15814   0.15894   0.15928   0.15958
     Eigenvalues ---    0.15972   0.15986   0.15986   0.15987   0.15987
     Eigenvalues ---    0.15988   0.15993   0.15995   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16003   0.16004   0.16008
     Eigenvalues ---    0.16009   0.16013   0.16083   0.16107   0.16131
     Eigenvalues ---    0.16251   0.16835   0.17296   0.18696   0.20206
     Eigenvalues ---    0.20922   0.21995   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22002   0.22002   0.22004
     Eigenvalues ---    0.22016   0.22389   0.22412   0.22514   0.22600
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22604   0.22694
     Eigenvalues ---    0.22945   0.22965   0.22995   0.23150   0.23261
     Eigenvalues ---    0.23408   0.23513   0.23709   0.23968   0.23999
     Eigenvalues ---    0.24209   0.24476   0.24486   0.24489   0.24490
     Eigenvalues ---    0.24534   0.24558   0.24744   0.24900   0.24980
     Eigenvalues ---    0.24984   0.24985   0.24985   0.24986   0.24988
     Eigenvalues ---    0.24991   0.24997   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25002   0.25005   0.25013   0.25032   0.25043
     Eigenvalues ---    0.25112   0.25160   0.25422   0.26494   0.27867
     Eigenvalues ---    0.28385   0.29008   0.29788   0.29811   0.30212
     Eigenvalues ---    0.32017   0.32099   0.32129   0.32142   0.32148
     Eigenvalues ---    0.32172   0.32190   0.32220   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33298   0.33319
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33457   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33634   0.33639
     Eigenvalues ---    0.33639   0.33643   0.33648   0.33664   0.33702
     Eigenvalues ---    0.33722   0.33745   0.33820   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33922   0.33940
     Eigenvalues ---    0.33947   0.33955   0.33960   0.34464   0.34497
     Eigenvalues ---    0.34868   0.34920   0.35069   0.38418   0.40359
     Eigenvalues ---    0.41704   0.43723   0.44429   0.44438   0.44441
     Eigenvalues ---    0.44467   0.45490   0.47446   0.48706   0.48933
     Eigenvalues ---    0.48975   0.49140   0.49299   0.49386   0.49736
     Eigenvalues ---    0.49799   0.49815   0.49844   0.49900   0.49924
     Eigenvalues ---    0.50003   0.50219   0.50273   0.50398   0.50408
     Eigenvalues ---    0.50610   0.50614   0.50617   0.51473   0.51914
     Eigenvalues ---    0.52263   0.52465   0.52777   0.53088   0.53359
     Eigenvalues ---    0.54071   0.54112   0.54199   0.54201   0.54206
     Eigenvalues ---    0.54322   0.54474   0.54932   0.55123   0.55304
     Eigenvalues ---    0.55329   0.55350   0.55359   0.55395   0.55421
     Eigenvalues ---    0.55426   0.55494   0.55563   0.55639   0.55700
     Eigenvalues ---    0.55706   0.55760   0.55883   0.55939   0.55948
     Eigenvalues ---    0.56147   0.56152   0.56153   0.56225   0.56269
     Eigenvalues ---    0.56306   0.56358   0.56545   0.56662   0.56664
     Eigenvalues ---    0.56670   0.56672   0.56682   0.56729   0.56845
     Eigenvalues ---    0.56901   0.56914   0.57116   0.57173   0.57178
     Eigenvalues ---    0.57189   0.57195   0.57209   0.57533   0.58391
     Eigenvalues ---    0.61792   0.65054   0.66050   0.66640   0.67651
     Eigenvalues ---    0.67657   0.67681   0.68876   0.69927   0.70101
     Eigenvalues ---    0.72506   0.75073   0.80050
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    39   38   37   36   35   34   33   32   31   30
 RFO step:  Lambda=-1.58348873D-06.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 DIIS inversion failure, remove point   4.
 RFO-DIIS uses    3 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    2.44611   -2.00000    0.55389    0.00000    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00364639 RMS(Int)=  0.00001604
 Iteration  2 RMS(Cart)=  0.00003998 RMS(Int)=  0.00000558
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00000558
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64739  -0.00003  -0.00002  -0.00002  -0.00004   2.64735
    R2        2.66035   0.00001   0.00002   0.00001   0.00003   2.66038
    R3        2.80232   0.00001   0.00007   0.00000   0.00008   2.80240
    R4        2.64573   0.00004   0.00001   0.00003   0.00004   2.64577
    R5        2.04884  -0.00000  -0.00000   0.00000   0.00000   2.04884
    R6        2.66491   0.00001  -0.00008   0.00001  -0.00007   2.66484
    R7        2.79050   0.00000  -0.00003  -0.00001  -0.00004   2.79046
    R8        2.64652   0.00001  -0.00002   0.00002  -0.00000   2.64652
    R9        2.78169  -0.00003   0.00007  -0.00005   0.00002   2.78171
   R10        2.62038  -0.00002   0.00000  -0.00001  -0.00001   2.62037
   R11        2.04844  -0.00000   0.00001  -0.00001  -0.00000   2.04844
   R12        2.05096  -0.00000  -0.00000  -0.00000  -0.00000   2.05096
   R13        2.67856   0.00000  -0.00003   0.00001  -0.00001   2.67855
   R14        2.64429   0.00003   0.00004   0.00002   0.00006   2.64435
   R15        2.84434   0.00002  -0.00003  -0.00000  -0.00003   2.84431
   R16        2.64374   0.00001   0.00007   0.00002   0.00009   2.64383
   R17        2.84936   0.00008   0.00010   0.00006   0.00016   2.84952
   R18        2.70381   0.00016  -0.00020   0.00022   0.00003   2.70384
   R19        3.90407  -0.00003   0.00010  -0.00005   0.00005   3.90411
   R20        2.43186  -0.00000  -0.00003   0.00001  -0.00001   2.43184
   R21        2.64731  -0.00004  -0.00005  -0.00003  -0.00008   2.64723
   R22        2.04796  -0.00000   0.00000   0.00000   0.00000   2.04797
   R23        2.64924   0.00002   0.00005   0.00002   0.00007   2.64931
   R24        2.80097   0.00003  -0.00003   0.00002  -0.00001   2.80096
   R25        2.62517  -0.00003  -0.00005  -0.00002  -0.00007   2.62511
   R26        2.05046  -0.00000   0.00001  -0.00001  -0.00000   2.05046
   R27        2.04120  -0.00001  -0.00000  -0.00003  -0.00003   2.04117
   R28        2.69834  -0.00011  -0.00001  -0.00008  -0.00010   2.69824
   R29        3.32101   0.00000  -0.00008   0.00003  -0.00004   3.32097
   R30        5.34864   0.00006  -0.00019   0.00054   0.00035   5.34899
   R31        2.67049   0.00005  -0.00001   0.00002   0.00001   2.67049
   R32        2.65256   0.00002   0.00004   0.00001   0.00004   2.65260
   R33        2.61815  -0.00012  -0.00013  -0.00006  -0.00019   2.61797
   R34        2.64922   0.00004   0.00005   0.00003   0.00008   2.64929
   R35        2.62562  -0.00002  -0.00003  -0.00001  -0.00004   2.62557
   R36        2.03787   0.00001  -0.00003   0.00002  -0.00001   2.03787
   R37        2.65802   0.00002   0.00003   0.00001   0.00004   2.65806
   R38        2.05124   0.00000  -0.00000   0.00000   0.00000   2.05125
   R39        2.63440  -0.00002  -0.00006  -0.00000  -0.00007   2.63433
   R40        2.80128   0.00001   0.00003   0.00001   0.00004   2.80132
   R41        2.04947   0.00000   0.00001  -0.00000   0.00000   2.04948
   R42        2.65590  -0.00000  -0.00001   0.00000  -0.00001   2.65590
   R43        2.65575  -0.00001  -0.00002   0.00000  -0.00002   2.65574
   R44        2.65547  -0.00000   0.00001   0.00000   0.00001   2.65548
   R45        2.65555  -0.00001  -0.00001   0.00000  -0.00001   2.65554
   R46        2.65549  -0.00001  -0.00000  -0.00000  -0.00001   2.65549
   R47        2.65561  -0.00001  -0.00002   0.00000  -0.00002   2.65559
   R48        2.62902   0.00001  -0.00002   0.00000  -0.00001   2.62900
   R49        2.05132  -0.00000   0.00001  -0.00001  -0.00001   2.05132
   R50        2.64734  -0.00001   0.00004  -0.00001   0.00002   2.64736
   R51        2.04999  -0.00000  -0.00001   0.00001   0.00000   2.04999
   R52        2.64704  -0.00001   0.00002  -0.00001   0.00001   2.64705
   R53        2.67978   0.00001  -0.00009   0.00002  -0.00007   2.67971
   R54        2.62931   0.00001  -0.00001   0.00000  -0.00001   2.62930
   R55        2.04998   0.00000  -0.00001   0.00001   0.00000   2.04998
   R56        2.05149  -0.00000   0.00000  -0.00000  -0.00000   2.05149
   R57        2.62922  -0.00000  -0.00000  -0.00000  -0.00001   2.62922
   R58        2.05122   0.00000  -0.00000   0.00000  -0.00000   2.05122
   R59        2.64693   0.00001   0.00001   0.00000   0.00001   2.64694
   R60        2.05002  -0.00000  -0.00000   0.00001   0.00000   2.05002
   R61        2.64696  -0.00000  -0.00000   0.00000  -0.00000   2.64696
   R62        2.68027  -0.00001  -0.00002  -0.00001  -0.00003   2.68024
   R63        2.62915   0.00001   0.00000   0.00000   0.00001   2.62915
   R64        2.05005  -0.00000  -0.00000   0.00001   0.00000   2.05005
   R65        2.05142   0.00000  -0.00000  -0.00000  -0.00000   2.05142
   R66        2.62961   0.00000  -0.00001   0.00000  -0.00000   2.62960
   R67        2.05152   0.00000  -0.00000   0.00000   0.00000   2.05153
   R68        2.64645   0.00000   0.00001   0.00000   0.00001   2.64646
   R69        2.05016  -0.00000  -0.00000   0.00001   0.00000   2.05016
   R70        2.64672   0.00000  -0.00000   0.00000   0.00000   2.64672
   R71        2.68140  -0.00001  -0.00002  -0.00001  -0.00003   2.68137
   R72        2.62928   0.00001   0.00001   0.00000   0.00001   2.62929
   R73        2.05013  -0.00000  -0.00000   0.00001   0.00000   2.05014
   R74        2.05136   0.00000   0.00000  -0.00000   0.00000   2.05136
   R75        2.64734   0.00000   0.00002   0.00001   0.00003   2.64737
   R76        2.64732   0.00001   0.00002   0.00001   0.00003   2.64735
   R77        2.64764  -0.00001   0.00009  -0.00002   0.00007   2.64771
   R78        2.64776  -0.00002   0.00007  -0.00002   0.00005   2.64781
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   A154       2.25971   0.00001   0.00001   0.00000   0.00001   2.25972
   A155       2.12152  -0.00001  -0.00001   0.00000  -0.00001   2.12151
   A156       1.90165  -0.00000   0.00000  -0.00001  -0.00001   1.90164
   A157       2.25933   0.00001   0.00001   0.00000   0.00001   2.25934
   A158       2.12175  -0.00001  -0.00001   0.00000  -0.00001   2.12174
   A159       1.86523   0.00000   0.00001   0.00000   0.00001   1.86524
   A160       2.08613   0.00001   0.00001   0.00000   0.00001   2.08614
   A161       2.33176  -0.00001  -0.00001  -0.00000  -0.00002   2.33174
   A162       1.86518   0.00000   0.00001   0.00000   0.00001   1.86520
   A163       2.33184  -0.00001  -0.00001  -0.00000  -0.00002   2.33182
   A164       2.08610   0.00001   0.00000   0.00000   0.00001   2.08611
   A165       1.90171  -0.00000  -0.00000  -0.00000  -0.00001   1.90170
   A166       2.25947   0.00001   0.00001   0.00000   0.00001   2.25948
   A167       2.12156  -0.00001  -0.00001   0.00000  -0.00001   2.12155
   A168       2.07983   0.00000  -0.00000   0.00000  -0.00000   2.07983
   A169       2.10023  -0.00000   0.00000  -0.00001  -0.00000   2.10023
   A170       2.10312   0.00000  -0.00000   0.00001   0.00001   2.10312
   A171       2.10407  -0.00000  -0.00001   0.00001  -0.00001   2.10406
   A172       2.09192   0.00000  -0.00000   0.00000   0.00000   2.09192
   A173       2.08719  -0.00000   0.00001  -0.00001   0.00000   2.08719
   A174       2.11970   0.00000   0.00000  -0.00000   0.00000   2.11970
   A175       2.08508  -0.00000   0.00001   0.00000   0.00001   2.08509
   A176       2.07839  -0.00000  -0.00001  -0.00000  -0.00001   2.07839
   A177       2.05489   0.00000   0.00002  -0.00001   0.00001   2.05489
   A178       2.11732   0.00000   0.00002  -0.00000   0.00001   2.11733
   A179       2.11096  -0.00000  -0.00004   0.00001  -0.00002   2.11094
   A180       2.05476  -0.00000   0.00002  -0.00001   0.00001   2.05477
   A181       2.11738   0.00000   0.00002  -0.00000   0.00002   2.11740
   A182       2.11102  -0.00000  -0.00004   0.00002  -0.00003   2.11100
   A183       2.11978   0.00000   0.00000  -0.00000   0.00000   2.11978
   A184       2.07826  -0.00000  -0.00001  -0.00000  -0.00001   2.07825
   A185       2.08514  -0.00000   0.00001   0.00000   0.00001   2.08515
   A186       2.10407  -0.00000  -0.00001   0.00001  -0.00001   2.10406
   A187       2.08728  -0.00000   0.00001  -0.00001   0.00001   2.08728
   A188       2.09183   0.00000  -0.00000   0.00000   0.00000   2.09183
   A189       2.07981   0.00000  -0.00000  -0.00000  -0.00000   2.07981
   A190       2.10023  -0.00000   0.00001  -0.00001  -0.00000   2.10022
   A191       2.10313   0.00000  -0.00000   0.00001   0.00000   2.10314
   A192       2.07984   0.00000  -0.00000  -0.00000  -0.00000   2.07983
   A193       2.10023  -0.00000   0.00001  -0.00001  -0.00001   2.10022
   A194       2.10311   0.00000  -0.00001   0.00001   0.00001   2.10312
   A195       2.10411  -0.00000  -0.00000  -0.00000  -0.00000   2.10410
   A196       2.09183   0.00000  -0.00000   0.00001   0.00000   2.09184
   A197       2.08723  -0.00000   0.00001  -0.00000   0.00000   2.08723
   A198       2.11975   0.00000  -0.00000   0.00000   0.00000   2.11976
   A199       2.08515   0.00000   0.00000   0.00001   0.00001   2.08515
   A200       2.07828  -0.00000   0.00000  -0.00001  -0.00001   2.07827
   A201       2.05474   0.00000   0.00001  -0.00001   0.00000   2.05475
   A202       2.11726   0.00000   0.00000   0.00001   0.00001   2.11727
   A203       2.11116  -0.00001  -0.00001  -0.00000  -0.00001   2.11115
   A204       2.05474   0.00000   0.00001  -0.00000   0.00000   2.05475
   A205       2.11722   0.00000  -0.00000   0.00001   0.00001   2.11723
   A206       2.11120  -0.00001  -0.00000  -0.00001  -0.00001   2.11118
   A207       2.11972   0.00000  -0.00000   0.00000   0.00000   2.11973
   A208       2.07835  -0.00000   0.00000  -0.00001  -0.00001   2.07834
   A209       2.08511   0.00000   0.00000   0.00000   0.00001   2.08511
   A210       2.10414  -0.00000  -0.00000  -0.00000  -0.00001   2.10413
   A211       2.08718  -0.00000   0.00001  -0.00000   0.00000   2.08718
   A212       2.09186   0.00000  -0.00001   0.00001   0.00000   2.09186
   A213       2.07982   0.00000  -0.00000   0.00000  -0.00000   2.07982
   A214       2.10025  -0.00000   0.00001  -0.00001  -0.00001   2.10024
   A215       2.10311   0.00000  -0.00001   0.00001   0.00001   2.10312
   A216       2.07993   0.00000  -0.00000  -0.00000  -0.00000   2.07993
   A217       2.10022  -0.00000   0.00001  -0.00001  -0.00000   2.10022
   A218       2.10302   0.00000  -0.00001   0.00001   0.00001   2.10303
   A219       2.10413  -0.00000  -0.00000  -0.00000  -0.00000   2.10412
   A220       2.09180   0.00000  -0.00001   0.00001   0.00000   2.09180
   A221       2.08725  -0.00000   0.00001  -0.00001   0.00000   2.08725
   A222       2.11972   0.00000  -0.00000   0.00000   0.00000   2.11972
   A223       2.08502   0.00000   0.00000   0.00000   0.00001   2.08502
   A224       2.07845  -0.00000   0.00000  -0.00001  -0.00001   2.07844
   A225       2.05480   0.00000   0.00001  -0.00000   0.00000   2.05480
   A226       2.11672   0.00000   0.00000   0.00001   0.00001   2.11673
   A227       2.11165  -0.00001  -0.00001  -0.00000  -0.00001   2.11164
   A228       2.05457   0.00000   0.00001  -0.00000   0.00000   2.05457
   A229       2.11711   0.00000   0.00000   0.00001   0.00001   2.11712
   A230       2.11149  -0.00001  -0.00001  -0.00000  -0.00001   2.11148
   A231       2.11981   0.00000  -0.00000   0.00000   0.00000   2.11981
   A232       2.07829  -0.00000  -0.00000  -0.00001  -0.00001   2.07828
   A233       2.08508  -0.00000   0.00000   0.00000   0.00001   2.08509
   A234       2.10420  -0.00000  -0.00000  -0.00000  -0.00000   2.10420
   A235       2.08717  -0.00000   0.00001  -0.00001   0.00000   2.08717
   A236       2.09181   0.00000  -0.00000   0.00001   0.00000   2.09181
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   A238       2.10029  -0.00000   0.00001  -0.00001  -0.00001   2.10029
   A239       2.10311   0.00000  -0.00000   0.00001   0.00001   2.10312
   A240       2.01711   0.00000  -0.00006   0.00012   0.00006   2.01717
   A241       1.84570  -0.00001  -0.00009   0.00003  -0.00006   1.84564
   A242       1.73066   0.00001  -0.00005  -0.00006  -0.00010   1.73056
   A243       2.02789   0.00001  -0.00013   0.00002  -0.00010   2.02779
   A244       2.03114  -0.00001   0.00007  -0.00004   0.00002   2.03117
   A245       1.77146  -0.00001   0.00029  -0.00010   0.00019   1.77166
   A246       2.11421  -0.00002  -0.00052  -0.00010  -0.00064   2.11357
   A247       2.06296  -0.00002  -0.00004  -0.00004  -0.00008   2.06288
   A248       1.87685  -0.00000  -0.00022  -0.00006  -0.00025   1.87660
   A249       1.88228  -0.00001   0.00032  -0.00003   0.00025   1.88253
   A250       1.89461   0.00000  -0.00037   0.00003  -0.00034   1.89427
   A251       1.95489   0.00000   0.00011  -0.00000   0.00012   1.95501
   A252       1.95972   0.00001   0.00006   0.00011   0.00014   1.95986
   A253       1.89310  -0.00000   0.00008  -0.00006   0.00006   1.89316
   A254       1.91052  -0.00001  -0.00000  -0.00002  -0.00003   1.91050
   A255       1.93763   0.00000   0.00006   0.00000   0.00006   1.93769
   A256       1.93705   0.00000  -0.00004   0.00002  -0.00002   1.93703
   A257       1.89097   0.00000  -0.00002  -0.00000  -0.00002   1.89095
   A258       1.89061   0.00000   0.00001   0.00000   0.00001   1.89062
   A259       1.89586  -0.00000  -0.00001   0.00000  -0.00001   1.89585
   A260       1.88141  -0.00000  -0.00004  -0.00001  -0.00005   1.88137
   A261       1.89034   0.00000   0.00016   0.00003   0.00019   1.89054
   A262       1.89445  -0.00000  -0.00009  -0.00003  -0.00011   1.89433
   A263       1.94738  -0.00000  -0.00000  -0.00000  -0.00000   1.94738
   A264       1.95115   0.00000   0.00001   0.00001   0.00001   1.95116
   A265       1.89746  -0.00000  -0.00003  -0.00000  -0.00004   1.89742
   A266       1.93701   0.00000   0.00001   0.00001   0.00002   1.93702
   A267       1.91350   0.00000   0.00001   0.00001   0.00002   1.91352
   A268       1.93469  -0.00000  -0.00002  -0.00002  -0.00004   1.93466
   A269       1.89201  -0.00000   0.00001   0.00000   0.00001   1.89202
   A270       1.89327   0.00000  -0.00001  -0.00000  -0.00001   1.89326
   A271       1.89225   0.00000   0.00000  -0.00000  -0.00000   1.89225
   A272       1.95144   0.00002   0.01111   0.00183   0.01295   1.96438
   A273       1.59963   0.00000  -0.01100  -0.00165  -0.01264   1.58699
   A274       1.73525   0.00003   0.00200   0.00025   0.00223   1.73748
   A275       1.80954   0.00002  -0.00163  -0.00028  -0.00192   1.80762
   A276       1.23872  -0.00000   0.00164   0.00025   0.00187   1.24059
   A277       1.33658  -0.00000  -0.00123  -0.00019  -0.00142   1.33515
   A278       0.55046  -0.00001  -0.00213  -0.00032  -0.00248   0.54798
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    D2        3.11106  -0.00000  -0.00001  -0.00001  -0.00002   3.11104
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    D5       -0.03110   0.00000  -0.00004   0.00007   0.00003  -0.03107
    D6        3.10414   0.00000   0.00001   0.00006   0.00006   3.10420
    D7        3.11045   0.00000  -0.00005   0.00006   0.00001   3.11046
    D8       -0.03751   0.00000   0.00000   0.00005   0.00005  -0.03746
    D9        2.49573  -0.00001   0.00041  -0.00021   0.00020   2.49593
   D10       -0.64666  -0.00001   0.00041  -0.00022   0.00020  -0.64647
   D11       -0.64581  -0.00001   0.00041  -0.00020   0.00022  -0.64559
   D12        2.49498  -0.00001   0.00042  -0.00021   0.00022   2.49520
   D13        0.03408  -0.00000   0.00004  -0.00006  -0.00002   0.03406
   D14       -3.02111  -0.00000  -0.00023  -0.00007  -0.00030  -3.02141
   D15       -3.06586  -0.00000   0.00005  -0.00007  -0.00001  -3.06588
   D16        0.16213  -0.00000  -0.00021  -0.00008  -0.00029   0.16184
   D17       -0.05925   0.00001  -0.00006   0.00010   0.00004  -0.05922
   D18        3.04809   0.00001  -0.00028   0.00027  -0.00001   3.04808
   D19        3.00014   0.00001   0.00020   0.00011   0.00031   3.00045
   D20       -0.17570   0.00001  -0.00002   0.00028   0.00026  -0.17544
   D21       -2.91341  -0.00001   0.00093  -0.00025   0.00069  -2.91273
   D22        0.35861  -0.00002   0.00085  -0.00045   0.00040   0.35901
   D23        0.31413  -0.00001   0.00067  -0.00026   0.00040   0.31454
   D24       -2.69703  -0.00001   0.00058  -0.00046   0.00012  -2.69691
   D25        0.04016  -0.00000   0.00003  -0.00005  -0.00003   0.04013
   D26       -3.11508  -0.00000   0.00006  -0.00004   0.00002  -3.11506
   D27       -3.06718  -0.00001   0.00025  -0.00023   0.00003  -3.06715
   D28        0.06077  -0.00001   0.00029  -0.00021   0.00007   0.06085
   D29       -0.38797   0.00000  -0.00053  -0.00003  -0.00057  -0.38854
   D30        2.82620   0.00000  -0.00070  -0.00001  -0.00071   2.82549
   D31        2.71926   0.00001  -0.00076   0.00014  -0.00062   2.71864
   D32       -0.34975   0.00001  -0.00092   0.00016  -0.00076  -0.35052
   D33        0.00582  -0.00000   0.00002  -0.00003  -0.00001   0.00581
   D34       -3.12942  -0.00000  -0.00003  -0.00002  -0.00004  -3.12946
   D35       -3.12178  -0.00000  -0.00002  -0.00004  -0.00006  -3.12183
   D36        0.02617  -0.00000  -0.00006  -0.00003  -0.00009   0.02608
   D37        0.13002   0.00001  -0.00068   0.00001  -0.00067   0.12935
   D38       -2.91537   0.00000  -0.00054  -0.00023  -0.00077  -2.91614
   D39       -3.13972   0.00001  -0.00061   0.00020  -0.00041  -3.14013
   D40        0.09807   0.00000  -0.00047  -0.00004  -0.00051   0.09756
   D41        2.98547  -0.00000   0.00039   0.00016   0.00056   2.98603
   D42       -0.07343  -0.00000   0.00031   0.00013   0.00044  -0.07299
   D43       -0.02706  -0.00000   0.00031  -0.00003   0.00028  -0.02679
   D44       -3.08596  -0.00001   0.00023  -0.00007   0.00016  -3.08580
   D45       -0.65965   0.00001   0.00018   0.00019   0.00037  -0.65927
   D46       -3.01310   0.00001   0.00033   0.00007   0.00040  -3.01271
   D47        1.17844   0.00002   0.00024  -0.00016   0.00008   1.17853
   D48        2.38157   0.00001   0.00003   0.00044   0.00046   2.38203
   D49        0.02811   0.00002   0.00018   0.00031   0.00049   0.02860
   D50       -2.06353   0.00002   0.00008   0.00009   0.00018  -2.06335
   D51       -0.09485  -0.00000   0.00029   0.00009   0.00038  -0.09448
   D52        3.01930   0.00000   0.00025   0.00004   0.00028   3.01958
   D53       -3.13620  -0.00001   0.00044  -0.00016   0.00028  -3.13592
   D54       -0.02204  -0.00000   0.00039  -0.00021   0.00019  -0.02186
   D55        0.78179  -0.00001   0.00045  -0.00017   0.00028   0.78206
   D56       -2.43656  -0.00000   0.00062  -0.00019   0.00043  -2.43612
   D57       -3.12922   0.00001   0.00040  -0.00000   0.00040  -3.12882
   D58       -0.06438   0.00002   0.00058  -0.00002   0.00056  -0.06382
   D59       -1.16653  -0.00002   0.00034   0.00008   0.00042  -1.16611
   D60        1.89831  -0.00002   0.00051   0.00006   0.00058   1.89889
   D61        2.37724  -0.00001  -0.00077  -0.00006  -0.00083   2.37641
   D62       -1.11461  -0.00001   0.00047  -0.00018   0.00028  -1.11433
   D63        0.05793  -0.00002  -0.00057  -0.00027  -0.00084   0.05710
   D64        2.84927  -0.00002   0.00066  -0.00039   0.00027   2.84954
   D65        2.39567   0.00001  -0.00362  -0.00039  -0.00403   2.39164
   D66        1.83854   0.00001  -0.00194  -0.00013  -0.00204   1.83650
   D67       -1.89027   0.00002  -0.00375  -0.00040  -0.00418  -1.89446
   D68       -2.44741   0.00002  -0.00207  -0.00015  -0.00219  -2.44960
   D69        3.10151  -0.00000  -0.00003   0.00015   0.00012   3.10164
   D70        0.03926  -0.00000  -0.00021   0.00017  -0.00003   0.03923
   D71       -0.04934   0.00000   0.00004   0.00005   0.00009  -0.04924
   D72        3.13199   0.00000   0.00004  -0.00001   0.00004   3.13203
   D73        3.01004   0.00000   0.00012   0.00009   0.00021   3.01024
   D74       -0.09182   0.00000   0.00012   0.00003   0.00015  -0.09167
   D75        0.05428   0.00000  -0.00024  -0.00000  -0.00024   0.05404
   D76       -3.10914   0.00000  -0.00019  -0.00001  -0.00021  -3.10934
   D77       -3.12730   0.00000  -0.00024   0.00005  -0.00018  -3.12748
   D78       -0.00753   0.00000  -0.00020   0.00005  -0.00015  -0.00768
   D79        2.47816   0.00001   0.00007   0.00035   0.00042   2.47858
   D80       -0.66487   0.00001   0.00009   0.00034   0.00043  -0.66443
   D81       -0.62216   0.00001   0.00007   0.00029   0.00036  -0.62180
   D82        2.51799   0.00001   0.00009   0.00028   0.00038   2.51837
   D83        0.01781  -0.00000   0.00007  -0.00007   0.00001   0.01782
   D84       -3.09693  -0.00000   0.00011  -0.00002   0.00009  -3.09684
   D85       -3.10214  -0.00000   0.00003  -0.00006  -0.00003  -3.10216
   D86        0.06631  -0.00000   0.00007  -0.00001   0.00006   0.06637
   D87       -0.03338   0.00002   0.00026   0.00040   0.00066  -0.03273
   D88       -3.13045   0.00001   0.00008   0.00040   0.00048  -3.12997
   D89       -2.81988   0.00002  -0.00098   0.00051  -0.00047  -2.82035
   D90        0.36624   0.00002  -0.00116   0.00051  -0.00065   0.36560
   D91       -0.93090   0.00003   0.00002   0.00060   0.00061  -0.93028
   D92        2.25522   0.00003  -0.00016   0.00059   0.00043   2.25566
   D93        0.13799   0.00001  -0.00110   0.00043  -0.00067   0.13732
   D94       -2.13164  -0.00001  -0.00081   0.00028  -0.00053  -2.13217
   D95        2.32264  -0.00000  -0.00108   0.00040  -0.00068   2.32196
   D96        2.92905   0.00000   0.00011   0.00032   0.00043   2.92948
   D97        0.65942  -0.00001   0.00040   0.00017   0.00058   0.66000
   D98       -1.16948  -0.00000   0.00013   0.00029   0.00042  -1.16906
   D99        0.75845   0.00000  -0.00073   0.00023  -0.00051   0.75794
   D100      -1.51119  -0.00001  -0.00044   0.00008  -0.00036  -1.51155
   D101       2.94309  -0.00000  -0.00071   0.00020  -0.00052   2.94258
   D102      -1.14665  -0.00003  -0.00440  -0.00068  -0.00510  -1.15175
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   D326      -0.01660  -0.00000  -0.00009  -0.00001  -0.00011  -0.01671
   D327       3.11846  -0.00000  -0.00010  -0.00002  -0.00012   3.11834
   D328       0.00690  -0.00000   0.00002  -0.00002  -0.00001   0.00689
   D329      -3.13990  -0.00000   0.00004  -0.00002   0.00002  -3.13988
   D330      -3.12970  -0.00000   0.00008  -0.00003   0.00005  -3.12965
   D331       0.00669  -0.00000   0.00010  -0.00003   0.00007   0.00676
   D332      -0.00743   0.00000  -0.00005   0.00001  -0.00004  -0.00747
   D333       3.13090   0.00000  -0.00008   0.00003  -0.00005   3.13085
   D334       3.13935  -0.00000  -0.00007   0.00000  -0.00007   3.13929
   D335      -0.00550   0.00000  -0.00010   0.00002  -0.00008  -0.00558
   D336      -0.00490   0.00000  -0.00004   0.00003  -0.00001  -0.00491
   D337       3.12982   0.00000  -0.00004   0.00003  -0.00001   3.12981
   D338       3.13994   0.00000  -0.00000   0.00000   0.00000   3.13994
   D339      -0.00853   0.00000  -0.00001   0.00001   0.00000  -0.00853
   D340      -0.00487   0.00000  -0.00002   0.00003   0.00000  -0.00486
   D341       3.14043   0.00000   0.00000   0.00001   0.00001   3.14044
   D342       3.12908   0.00000  -0.00004   0.00003  -0.00002   3.12907
   D343      -0.00881   0.00000  -0.00001   0.00001  -0.00001  -0.00882
   D344      -0.00764  -0.00000  -0.00006   0.00001  -0.00006  -0.00770
   D345       3.13961  -0.00000  -0.00008  -0.00000  -0.00008   3.13953
   D346       3.13024   0.00000  -0.00009   0.00003  -0.00006   3.13017
   D347      -0.00570  -0.00000  -0.00011   0.00002  -0.00009  -0.00579
   D348       0.00704  -0.00000   0.00001  -0.00003  -0.00001   0.00703
   D349      -3.12931  -0.00000   0.00008  -0.00003   0.00005  -3.12926
   D350      -3.14022  -0.00000   0.00003  -0.00002   0.00001  -3.14021
   D351       0.00661  -0.00000   0.00010  -0.00002   0.00008   0.00669
   D352       0.00661   0.00000  -0.00001   0.00000  -0.00001   0.00660
   D353      -3.14008  -0.00000   0.00002  -0.00000   0.00001  -3.14006
   D354      -3.12999   0.00000   0.00003   0.00001   0.00004  -3.12996
   D355       0.00651   0.00000   0.00005   0.00000   0.00006   0.00656
   D356      -0.00725  -0.00000  -0.00003  -0.00001  -0.00004  -0.00729
   D357       3.13116  -0.00000  -0.00004  -0.00000  -0.00005   3.13112
   D358       3.13942  -0.00000  -0.00005  -0.00001  -0.00006   3.13936
   D359      -0.00535  -0.00000  -0.00007  -0.00000  -0.00007  -0.00542
   D360      -0.00464  -0.00000  -0.00001   0.00000  -0.00001  -0.00465
   D361       3.13035  -0.00000   0.00001  -0.00002  -0.00001   3.13034
   D362       3.14012  -0.00000   0.00001  -0.00001   0.00000   3.14012
   D363      -0.00808  -0.00000   0.00002  -0.00003  -0.00000  -0.00808
   D364      -0.00468   0.00000  -0.00001   0.00000  -0.00001  -0.00469
   D365       3.14055  -0.00000   0.00001  -0.00001  -0.00000   3.14055
   D366       3.12939  -0.00000  -0.00001  -0.00001  -0.00002   3.12937
   D367      -0.00855  -0.00000   0.00001  -0.00002  -0.00001  -0.00857
   D368      -0.00744  -0.00000  -0.00002  -0.00002  -0.00004  -0.00748
   D369       3.13962  -0.00000  -0.00005  -0.00001  -0.00006   3.13956
   D370       3.13049  -0.00000  -0.00004  -0.00000  -0.00005   3.13044
   D371      -0.00563  -0.00000  -0.00007   0.00000  -0.00007  -0.00570
   D372       0.00683   0.00000  -0.00001   0.00000  -0.00001   0.00683
   D373      -3.12965   0.00000   0.00004   0.00000   0.00005  -3.12961
   D374      -3.14025  -0.00000   0.00002  -0.00000   0.00002  -3.14023
   D375       0.00645  -0.00000   0.00007  -0.00000   0.00007   0.00652
   D376      -0.00640  -0.00000   0.00001   0.00000   0.00001  -0.00639
   D377       3.14021   0.00000  -0.00002   0.00000  -0.00002   3.14019
   D378       3.13030  -0.00000  -0.00005  -0.00000  -0.00005   3.13025
   D379      -0.00627  -0.00000  -0.00008  -0.00000  -0.00008  -0.00635
   D380       0.00703   0.00000   0.00003   0.00001   0.00004   0.00707
   D381      -3.13130   0.00000   0.00005  -0.00000   0.00005  -3.13126
   D382      -3.13958   0.00000   0.00006   0.00001   0.00007  -3.13950
   D383       0.00528   0.00000   0.00008  -0.00000   0.00008   0.00535
   D384       0.00447  -0.00000   0.00001  -0.00000   0.00001   0.00447
   D385      -3.13062   0.00000   0.00002   0.00000   0.00002  -3.13060
   D386      -3.14038   0.00000  -0.00000   0.00001   0.00000  -3.14037
   D387       0.00772   0.00000   0.00000   0.00002   0.00002   0.00774
   D388       0.00449  -0.00000   0.00001  -0.00001   0.00001   0.00450
   D389      -3.14027   0.00000  -0.00000   0.00000  -0.00000  -3.14027
   D390      -3.13059   0.00000  -0.00001   0.00001   0.00000  -3.13059
   D391       0.00784   0.00000  -0.00002   0.00002  -0.00000   0.00783
   D392       0.00703   0.00000   0.00002   0.00001   0.00004   0.00706
   D393      -3.13950   0.00000   0.00005   0.00001   0.00006  -3.13944
   D394      -3.13139   0.00000   0.00004   0.00000   0.00005  -3.13134
   D395       0.00527   0.00000   0.00007  -0.00000   0.00007   0.00534
   D396      -0.00641  -0.00000   0.00001   0.00000   0.00001  -0.00640
   D397       3.13028  -0.00000  -0.00003   0.00000  -0.00003   3.13025
   D398       3.14013   0.00000  -0.00002   0.00001  -0.00001   3.14011
   D399      -0.00636   0.00000  -0.00006   0.00001  -0.00006  -0.00642
   D400       1.62717   0.00001   0.00419   0.00067   0.00485   1.63202
   D401      -0.63620   0.00001   0.00445   0.00046   0.00491  -0.63129
   D402      -2.85709   0.00001   0.00421   0.00058   0.00479  -2.85230
   D403      -3.09185  -0.00001  -0.00170  -0.00042  -0.00212  -3.09397
   D404      -0.91700  -0.00001  -0.00176  -0.00034  -0.00210  -0.91911
   D405       1.30178  -0.00001  -0.00166  -0.00041  -0.00207   1.29970
   D406       2.77246  -0.00000   0.00773   0.00124   0.00898   2.78144
   D407      -1.39941  -0.00000   0.00793   0.00119   0.00912  -1.39029
   D408       0.64833  -0.00001   0.00800   0.00113   0.00915   0.65748
   D409       2.98558   0.00003   0.00503   0.00124   0.00628   2.99185
   D410      -1.18808   0.00003   0.00510   0.00125   0.00635  -1.18173
   D411       0.86917   0.00003   0.00510   0.00125   0.00635   0.87553
   D412       3.11795  -0.00001   0.00071   0.00001   0.00071   3.11866
   D413      -1.07844  -0.00001   0.00072  -0.00001   0.00070  -1.07774
   D414       1.03197  -0.00000   0.00072   0.00001   0.00072   1.03270
   D415       1.05290   0.00000   0.00039   0.00008   0.00049   1.05339
   D416       3.13970   0.00000   0.00040   0.00006   0.00048   3.14018
   D417      -1.03308   0.00001   0.00040   0.00008   0.00050  -1.03257
   D418      -1.08222   0.00000   0.00015   0.00007   0.00021  -1.08200
   D419       1.00457  -0.00000   0.00016   0.00006   0.00021   1.00479
   D420       3.11499   0.00000   0.00017   0.00008   0.00023   3.11522
   D421       1.26713   0.00001  -0.00819  -0.00110  -0.00932   1.25782
   D422      -2.95423  -0.00000  -0.00819  -0.00119  -0.00939  -2.96362
   D423      -0.78159   0.00001  -0.00797  -0.00109  -0.00909  -0.79067
   D424      -1.41428  -0.00000  -0.00269  -0.00049  -0.00318  -1.41746
   D425       2.79631  -0.00000  -0.00222  -0.00050  -0.00274   2.79357
   D426       0.62654  -0.00001  -0.00247  -0.00053  -0.00304   0.62350
   D427       1.04478   0.00000   0.00055   0.00018   0.00073   1.04551
   D428       3.13439   0.00000   0.00058   0.00020   0.00077   3.13516
   D429      -1.06034   0.00000   0.00057   0.00018   0.00076  -1.05959
   D430      -1.02865  -0.00000   0.00038   0.00015   0.00053  -1.02812
   D431       1.06096   0.00000   0.00041   0.00016   0.00057   1.06153
   D432      -3.13377   0.00000   0.00040   0.00015   0.00055  -3.13322
   D433       3.12545  -0.00000   0.00042   0.00015   0.00057   3.12602
   D434      -1.06812   0.00000   0.00045   0.00016   0.00061  -1.06752
   D435       1.02033  -0.00000   0.00044   0.00015   0.00060   1.02092
   D436      -1.33394   0.00000   0.00920   0.00134   0.01057  -1.32337
   D437      -1.23762  -0.00000   0.00721   0.00106   0.00830  -1.22932
   D438       0.42586  -0.00000   0.00312   0.00044   0.00359   0.42945
   D439       1.10237   0.00002   0.00494   0.00076   0.00568   1.10805
   D440       0.92216   0.00001   0.00388   0.00065   0.00452   0.92668
   D441      -0.39392   0.00001  -0.00087  -0.00007  -0.00095  -0.39487
         Item               Value     Threshold  Converged?
 Maximum Force            0.000161     0.000450     YES
 RMS     Force            0.000012     0.000300     YES
 Maximum Displacement     0.034664     0.001800     NO 
 RMS     Displacement     0.003652     0.001200     NO 
 Predicted change in Energy=-7.101542D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.836934    2.898088    0.555271
      2          6           0       -2.068655    1.522676    0.686128
      3          6           0       -1.019561    0.596343    0.725315
      4          6           0        0.306680    1.072573    0.671725
      5          6           0        0.547817    2.442568    0.509545
      6          6           0       -0.505372    3.342477    0.448512
      7          6           0       -1.236171   -0.864288    0.713867
      8          6           0       -0.169264   -1.741349    1.032576
      9          6           0        1.120025   -1.154119    1.540857
     10          6           0        1.432961    0.137956    0.829252
     11          6           0       -2.438146   -1.403905    0.242500
     12          6           0       -2.616882   -2.778980    0.043480
     13          6           0       -1.518229   -3.618062    0.276664
     14          6           0       -0.318286   -3.103718    0.751338
     15          7           0        2.229369   -2.043668    1.699839
     16          6           0        3.523855   -1.634927    1.257137
     17          6           0        3.671432   -0.374749    0.634878
     18          7           0        2.607613    0.490996    0.439887
     19          6           0        4.664518   -2.446427    1.360682
     20          6           0        5.896003   -2.009425    0.888570
     21          6           0        6.061517   -0.752165    0.279979
     22          6           0        4.923002    0.043484    0.161479
     23          6           0       -2.965251    3.860092    0.530040
     24          6           0       -3.909254   -3.314829   -0.445983
     25          6           0        7.381901   -0.297956   -0.217793
     26          6           0       -3.957799   -4.386109   -1.354085
     27          6           0       -5.170409   -4.883568   -1.820531
     28          6           0       -6.377887   -4.331813   -1.373153
     29          6           0       -6.346599   -3.270004   -0.460076
     30          6           0       -5.128763   -2.766594   -0.013583
     31          6           0       -2.856514    5.119618    1.144072
     32          6           0       -3.914452    6.023180    1.133279
     33          6           0       -5.113194    5.697458    0.486066
     34          6           0       -5.234120    4.450174   -0.139747
     35          6           0       -4.177412    3.545725   -0.107818
     36          6           0        8.295988   -1.202005   -0.785058
     37          6           0        9.532549   -0.777572   -1.261629
     38          6           0        9.898700    0.570930   -1.168192
     39          6           0        9.002186    1.483602   -0.598164
     40          6           0        7.761537    1.052763   -0.138766
     41          7           0       -6.190965    6.619165    0.463575
     42          7           0       -7.616205   -4.842137   -1.838956
     43          7           0       11.161966    1.006913   -1.645069
     44          6           0       -8.020270   -6.182923   -1.792910
     45          6           0       -9.317962   -6.292201   -2.354005
     46          6           0       -9.714723   -4.959746   -2.758992
     47          6           0       -8.644012   -4.091942   -2.425529
     48          6           0       -7.502964    6.356893    0.878868
     49          6           0       -8.285106    7.526084    0.699656
     50          6           0       -7.407971    8.538520    0.149694
     51          6           0       -6.126233    7.946070    0.018933
     52          6           0       11.378248    2.033792   -2.572726
     53          6           0       12.772629    2.169945   -2.792475
     54          6           0       13.427682    1.183468   -1.959087
     55          6           0       12.405406    0.484588   -1.267807
     56          6           0      -10.858255   -4.439427   -3.375832
     57          6           0      -10.917474   -3.077668   -3.656087
     58          6           0       -9.841067   -2.234396   -3.332733
     59          6           0       -8.691620   -2.726148   -2.718070
     60          6           0       -7.355314   -7.293760   -1.266462
     61          6           0       -8.001755   -8.526235   -1.329638
     62          6           0       -9.281047   -8.654988   -1.896337
     63          6           0       -9.944496   -7.542672   -2.405336
     64          6           0       -7.597776    9.867011   -0.247786
     65          6           0       -6.522442   10.578540   -0.771115
     66          6           0       -5.262628    9.971349   -0.907534
     67          6           0       -5.046134    8.651047   -0.519259
     68          6           0       -8.044315    5.192146    1.429859
     69          6           0       -9.392307    5.207132    1.781284
     70          6           0      -10.185488    6.352188    1.596440
     71          6           0       -9.637261    7.513684    1.060856
     72          6           0       14.767335    0.846550   -1.733692
     73          6           0       15.068964   -0.166004   -0.827976
     74          6           0       14.044178   -0.838493   -0.140852
     75          6           0       12.702817   -0.523636   -0.346730
     76          6           0       10.449359    2.823560   -3.255923
     77          6           0       10.939125    3.770888   -4.152237
     78          6           0       12.318141    3.929021   -4.371322
     79          6           0       13.237657    3.130224   -3.698393
     80          8           0        0.754960   -3.506474    3.484100
     81         15           0        2.088641   -3.338710    2.879440
     82          8           0        3.307885   -3.131546    3.900894
     83          8           0        2.626408   -4.563154    1.981149
     84          6           0        3.137226   -2.366556    5.135724
     85          6           0        4.246178   -2.776408    6.083144
     86          6           0        2.626121   -5.898862    2.566107
     87          6           0        2.967329   -6.885486    1.467770
     88          1           0       -3.089781    1.175789    0.797740
     89          1           0        1.575494    2.781515    0.446121
     90          1           0       -0.300969    4.399493    0.311169
     91          1           0       -3.236414   -0.732306   -0.051117
     92          1           0       -1.605156   -4.686013    0.105588
     93          1           0        0.513408   -3.781549    0.875973
     94          1           0        4.604367   -3.426119    1.807353
     95          1           0        6.755235   -2.660264    1.016553
     96          1           0        4.955640    1.010592   -0.328272
     97          1           0       -3.032755   -4.809082   -1.733190
     98          1           0       -5.188752   -5.686561   -2.549692
     99          1           0       -7.278801   -2.859239   -0.087157
    100          1           0       -5.123549   -1.962832    0.716120
    101          1           0       -1.945564    5.378799    1.674367
    102          1           0       -3.825766    6.976069    1.644146
    103          1           0       -6.149451    4.204887   -0.667836
    104          1           0       -4.279905    2.595807   -0.623182
    105          1           0        8.019731   -2.246325   -0.893005
    106          1           0       10.211501   -1.483523   -1.728173
    107          1           0        9.291698    2.524373   -0.498387
    108          1           0        7.090916    1.770142    0.323851
    109          1           0      -11.686356   -5.092407   -3.636226
    110          1           0      -11.799677   -2.661868   -4.132844
    111          1           0       -9.902010   -1.176033   -3.568496
    112          1           0       -7.861383   -2.070021   -2.481984
    113          1           0       -6.372954   -7.201734   -0.816967
    114          1           0       -7.504468   -9.404217   -0.927994
    115          1           0       -9.756069   -9.630498   -1.931587
    116          1           0      -10.938184   -7.641267   -2.832893
    117          1           0       -8.573943   10.333956   -0.152745
    118          1           0       -6.656787   11.610073   -1.081619
    119          1           0       -4.438056   10.540030   -1.327227
    120          1           0       -4.073316    8.187191   -0.637708
    121          1           0       -7.436859    4.307791    1.586365
    122          1           0       -9.835888    4.313524    2.210407
    123          1           0      -11.233347    6.329743    1.879280
    124          1           0      -10.248593    8.401813    0.928684
    125          1           0       15.560839    1.372894   -2.256478
    126          1           0       16.104225   -0.437209   -0.645688
    127          1           0       14.300229   -1.619351    0.569243
    128          1           0       11.918562   -1.040436    0.195047
    129          1           0        9.383312    2.701197   -3.100354
    130          1           0       10.236792    4.397397   -4.694152
    131          1           0       12.666546    4.678297   -5.075401
    132          1           0       14.302964    3.246177   -3.876351
    133          1           0        3.186925   -1.304873    4.881838
    134          1           0        2.145589   -2.579268    5.541754
    135          1           0        4.162252   -2.203921    7.012244
    136          1           0        4.180290   -3.840478    6.327345
    137          1           0        5.228478   -2.578796    5.645082
    138          1           0        3.366788   -5.921707    3.372278
    139          1           0        1.637225   -6.091644    2.992423
    140          1           0        3.950802   -6.671240    1.040640
    141          1           0        2.981878   -7.900566    1.876699
    142          1           0        2.225360   -6.846799    0.665712
    143         17           0        0.731991   -0.351294    3.404488
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177639           0.0074048           0.0058240
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13524.3115338029 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.76D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000075   -0.000003   -0.000111 Ang=   0.02 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.68069783     A.U. after    9 cycles
            NFock=  9  Conv=0.51D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000012111   -0.000018469    0.000000383
      2        6          -0.000012562    0.000024082   -0.000013867
      3        6           0.000023755   -0.000031803    0.000001104
      4        6           0.000037510   -0.000013852    0.000042104
      5        6          -0.000020392    0.000013771   -0.000019050
      6        6           0.000022944    0.000006688   -0.000014909
      7        6          -0.000003769    0.000032487    0.000004044
      8        6          -0.000004773   -0.000045395   -0.000057124
      9        6          -0.000197538    0.000033125    0.000011206
     10        6          -0.000026661    0.000124945   -0.000045626
     11        6          -0.000016334   -0.000035301    0.000011846
     12        6           0.000019167    0.000038820    0.000013480
     13        6           0.000006774   -0.000002840    0.000008532
     14        6          -0.000015347   -0.000008497    0.000005083
     15        7           0.000299821   -0.000087420   -0.000010546
     16        6          -0.000071373   -0.000044752    0.000004435
     17        6          -0.000082458    0.000073606    0.000004452
     18        7           0.000062669   -0.000060341    0.000028566
     19        6           0.000016395    0.000000558   -0.000019269
     20        6          -0.000001799   -0.000010330    0.000017098
     21        6          -0.000018831    0.000008102    0.000000402
     22        6           0.000024801   -0.000002204   -0.000008161
     23        6           0.000009296   -0.000004523   -0.000001361
     24        6          -0.000026860   -0.000021756   -0.000012179
     25        6           0.000006113   -0.000001632   -0.000003004
     26        6           0.000009394    0.000008821    0.000015608
     27        6          -0.000020220    0.000008419   -0.000016004
     28        6           0.000023476    0.000013864    0.000010227
     29        6          -0.000002001   -0.000022773    0.000007355
     30        6           0.000015067    0.000008630   -0.000001712
     31        6          -0.000008241   -0.000009181    0.000011749
     32        6           0.000002204    0.000006615   -0.000006863
     33        6          -0.000012608    0.000003537    0.000000278
     34        6          -0.000006670   -0.000001551    0.000010052
     35        6           0.000005651    0.000007679   -0.000012488
     36        6          -0.000009995    0.000002565   -0.000002864
     37        6           0.000006197    0.000005440    0.000006141
     38        6           0.000013946    0.000006250   -0.000007219
     39        6          -0.000000133    0.000003170   -0.000006612
     40        6           0.000002971   -0.000007366    0.000007158
     41        7           0.000003869   -0.000006872   -0.000001121
     42        7          -0.000042341   -0.000028212   -0.000023026
     43        7          -0.000005226   -0.000003489    0.000007697
     44        6          -0.000014614    0.000030884    0.000044675
     45        6          -0.000018182   -0.000004050    0.000020646
     46        6           0.000006366   -0.000005571   -0.000026828
     47        6           0.000052861   -0.000005747   -0.000025407
     48        6           0.000015151    0.000005006   -0.000012101
     49        6          -0.000003342   -0.000000084    0.000012057
     50        6          -0.000001888   -0.000000033   -0.000013480
     51        6           0.000002353   -0.000006833    0.000010985
     52        6           0.000000553   -0.000007660    0.000008415
     53        6           0.000000138   -0.000004218   -0.000012167
     54        6           0.000003836    0.000005718    0.000010673
     55        6          -0.000014054   -0.000001555   -0.000008783
     56        6          -0.000005739    0.000008350    0.000008008
     57        6          -0.000005173   -0.000010014    0.000002457
     58        6           0.000005871    0.000001557    0.000002213
     59        6          -0.000008926    0.000002688    0.000009415
     60        6           0.000007708   -0.000003421   -0.000010752
     61        6           0.000002836    0.000004785    0.000002238
     62        6          -0.000007580    0.000000547   -0.000008262
     63        6           0.000010673   -0.000004510   -0.000004641
     64        6           0.000004547    0.000004220    0.000003739
     65        6          -0.000008472   -0.000000013    0.000003147
     66        6           0.000000247   -0.000003645   -0.000000938
     67        6          -0.000000683    0.000005574    0.000003085
     68        6          -0.000005633   -0.000003146   -0.000000927
     69        6           0.000003473    0.000002401    0.000000681
     70        6          -0.000006198    0.000006356   -0.000003583
     71        6           0.000000394   -0.000004985   -0.000000557
     72        6           0.000000381   -0.000005507   -0.000000230
     73        6           0.000003668    0.000005688   -0.000005952
     74        6          -0.000002922    0.000001784    0.000000253
     75        6           0.000003904   -0.000002419   -0.000001299
     76        6          -0.000001041    0.000006102    0.000000847
     77        6           0.000000064   -0.000003673    0.000001152
     78        6           0.000008269    0.000003638    0.000002129
     79        6          -0.000004697    0.000002847    0.000000898
     80        8          -0.000006561   -0.000001542   -0.000001918
     81       15           0.000005314    0.000048784    0.000065251
     82        8           0.000006997   -0.000002988   -0.000048687
     83        8          -0.000029920   -0.000032947   -0.000039184
     84        6          -0.000012884    0.000025238    0.000074655
     85        6           0.000001995   -0.000003285   -0.000014801
     86        6           0.000016933    0.000009947    0.000016123
     87        6           0.000007582    0.000002610   -0.000001024
     88        1          -0.000003117    0.000012493   -0.000000767
     89        1           0.000003010   -0.000003727    0.000007471
     90        1          -0.000005221   -0.000000213    0.000003662
     91        1           0.000000976   -0.000008900    0.000006638
     92        1           0.000001843    0.000004430   -0.000009233
     93        1           0.000002739    0.000005436    0.000002305
     94        1          -0.000009809   -0.000005969    0.000000361
     95        1           0.000001080    0.000002578   -0.000007855
     96        1           0.000002473    0.000001885    0.000001909
     97        1          -0.000002052   -0.000000786   -0.000003963
     98        1           0.000002400    0.000000071    0.000003440
     99        1           0.000001849    0.000002917   -0.000001425
    100        1          -0.000002953   -0.000001602    0.000000485
    101        1           0.000003611    0.000001768   -0.000003875
    102        1           0.000003652   -0.000004752    0.000001119
    103        1           0.000006398    0.000001203   -0.000002677
    104        1           0.000001181   -0.000002575    0.000002516
    105        1           0.000001239   -0.000000220    0.000000696
    106        1          -0.000005848   -0.000001790   -0.000000833
    107        1          -0.000002694   -0.000004260    0.000003377
    108        1          -0.000001942    0.000000783   -0.000001488
    109        1           0.000000812   -0.000002176    0.000000507
    110        1           0.000001495    0.000002293   -0.000002288
    111        1          -0.000001274    0.000000464    0.000000490
    112        1          -0.000000708   -0.000000606   -0.000000546
    113        1          -0.000001654   -0.000000772    0.000000780
    114        1           0.000000625   -0.000000999   -0.000000617
    115        1           0.000000964   -0.000000674    0.000003067
    116        1          -0.000001221    0.000001468   -0.000000842
    117        1          -0.000001224   -0.000003225    0.000000666
    118        1           0.000002185    0.000000408   -0.000000940
    119        1           0.000001517    0.000000216    0.000000967
    120        1          -0.000003075    0.000003562   -0.000006078
    121        1          -0.000005078   -0.000001210    0.000004971
    122        1           0.000000966   -0.000001468   -0.000000584
    123        1           0.000001285   -0.000001921    0.000001640
    124        1           0.000001568    0.000002454   -0.000002384
    125        1          -0.000002107    0.000001643   -0.000002082
    126        1          -0.000000397   -0.000001534    0.000001947
    127        1          -0.000000325   -0.000001526   -0.000000046
    128        1           0.000004416    0.000002559    0.000003771
    129        1           0.000001465    0.000001983   -0.000006321
    130        1          -0.000001518    0.000000279    0.000000478
    131        1          -0.000002415   -0.000000503   -0.000001493
    132        1           0.000001796   -0.000001298    0.000002536
    133        1          -0.000004404   -0.000022937   -0.000004854
    134        1           0.000009543    0.000003350   -0.000014820
    135        1          -0.000004933    0.000000822   -0.000001389
    136        1           0.000002818   -0.000000364    0.000003255
    137        1          -0.000000170   -0.000000461    0.000000833
    138        1          -0.000006663   -0.000000551    0.000005584
    139        1          -0.000002367   -0.000002514   -0.000007198
    140        1           0.000000896   -0.000001202    0.000000142
    141        1          -0.000001326   -0.000000150   -0.000000001
    142        1          -0.000000916    0.000002030    0.000000088
    143       17           0.000003227   -0.000005709    0.000010681
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000299821 RMS     0.000024061

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000164578 RMS     0.000009896
 Search for a local minimum.
 Step number  40 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   20   21   22   23   24
                                                     25   26   27   28   29
                                                     30   31   32   33   34
                                                     35   36   37   38   39
                                                     40
 DE= -1.34D-06 DEPred=-7.10D-07 R= 1.88D+00
 TightC=F SS=  1.41D+00  RLast= 5.28D-02 DXNew= 1.0456D+00 1.5842D-01
 Trust test= 1.88D+00 RLast= 5.28D-02 DXMaxT set to 6.22D-01
 ITU=  1  1  1  0  1  0  0  0  0  0  0  1  0  1 -1  1  1  1  1  1
 ITU=  1 -1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  0  1  0
     Eigenvalues ---    0.00023   0.00129   0.00203   0.00416   0.00420
     Eigenvalues ---    0.00490   0.00705   0.00785   0.00907   0.01612
     Eigenvalues ---    0.01953   0.02292   0.02458   0.02611   0.02615
     Eigenvalues ---    0.02655   0.02692   0.02705   0.02708   0.02714
     Eigenvalues ---    0.02717   0.02724   0.02726   0.02729   0.02735
     Eigenvalues ---    0.02740   0.02753   0.02762   0.02771   0.02772
     Eigenvalues ---    0.02774   0.02775   0.02778   0.02782   0.02785
     Eigenvalues ---    0.02786   0.02789   0.02790   0.02791   0.02791
     Eigenvalues ---    0.02792   0.02792   0.02793   0.02793   0.02795
     Eigenvalues ---    0.02798   0.02801   0.02802   0.02803   0.02804
     Eigenvalues ---    0.02804   0.02807   0.02807   0.02808   0.02808
     Eigenvalues ---    0.02809   0.02811   0.02812   0.02813   0.02817
     Eigenvalues ---    0.02817   0.02818   0.02818   0.02818   0.02819
     Eigenvalues ---    0.02820   0.02827   0.02829   0.02832   0.02841
     Eigenvalues ---    0.02844   0.02845   0.02845   0.02846   0.02847
     Eigenvalues ---    0.02849   0.02851   0.02860   0.02866   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02871   0.02872   0.02873
     Eigenvalues ---    0.02874   0.02876   0.02877   0.02878   0.02878
     Eigenvalues ---    0.02879   0.02881   0.02884   0.02885   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02886   0.02886   0.02887
     Eigenvalues ---    0.02888   0.02892   0.02893   0.02894   0.02896
     Eigenvalues ---    0.02897   0.02898   0.02899   0.02899   0.02899
     Eigenvalues ---    0.02906   0.02908   0.02910   0.02926   0.02940
     Eigenvalues ---    0.02942   0.02958   0.02982   0.03024   0.03025
     Eigenvalues ---    0.03026   0.03107   0.03127   0.03133   0.03134
     Eigenvalues ---    0.03147   0.03155   0.03250   0.03286   0.03455
     Eigenvalues ---    0.03894   0.03999   0.04661   0.05373   0.05564
     Eigenvalues ---    0.05579   0.05619   0.05726   0.05745   0.05995
     Eigenvalues ---    0.07482   0.08544   0.09416   0.10501   0.10974
     Eigenvalues ---    0.11432   0.11902   0.12655   0.13651   0.15215
     Eigenvalues ---    0.15622   0.15818   0.15895   0.15931   0.15958
     Eigenvalues ---    0.15972   0.15986   0.15986   0.15987   0.15987
     Eigenvalues ---    0.15988   0.15993   0.15996   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16002   0.16004   0.16007
     Eigenvalues ---    0.16011   0.16014   0.16061   0.16106   0.16118
     Eigenvalues ---    0.16264   0.16827   0.17322   0.18681   0.20053
     Eigenvalues ---    0.20949   0.21995   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22002   0.22004
     Eigenvalues ---    0.22012   0.22394   0.22408   0.22503   0.22600
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22604   0.22694
     Eigenvalues ---    0.22945   0.22965   0.22994   0.23144   0.23268
     Eigenvalues ---    0.23419   0.23514   0.23709   0.23970   0.24001
     Eigenvalues ---    0.24203   0.24472   0.24486   0.24489   0.24490
     Eigenvalues ---    0.24533   0.24536   0.24735   0.24901   0.24979
     Eigenvalues ---    0.24984   0.24985   0.24985   0.24986   0.24987
     Eigenvalues ---    0.24991   0.24997   0.25000   0.25000   0.25000
     Eigenvalues ---    0.25002   0.25005   0.25011   0.25023   0.25040
     Eigenvalues ---    0.25110   0.25121   0.25439   0.26485   0.27845
     Eigenvalues ---    0.28415   0.28959   0.29788   0.29800   0.30188
     Eigenvalues ---    0.32017   0.32099   0.32129   0.32142   0.32148
     Eigenvalues ---    0.32173   0.32192   0.32220   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33298   0.33319
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33457   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33634   0.33639
     Eigenvalues ---    0.33639   0.33643   0.33648   0.33664   0.33702
     Eigenvalues ---    0.33722   0.33745   0.33820   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33922   0.33940
     Eigenvalues ---    0.33947   0.33955   0.33960   0.34471   0.34518
     Eigenvalues ---    0.34872   0.34920   0.35071   0.37979   0.40401
     Eigenvalues ---    0.41708   0.42588   0.44430   0.44436   0.44439
     Eigenvalues ---    0.44464   0.45504   0.47252   0.48712   0.48930
     Eigenvalues ---    0.48975   0.49073   0.49254   0.49438   0.49717
     Eigenvalues ---    0.49798   0.49814   0.49846   0.49907   0.49936
     Eigenvalues ---    0.50002   0.50215   0.50249   0.50402   0.50408
     Eigenvalues ---    0.50610   0.50614   0.50617   0.51387   0.51959
     Eigenvalues ---    0.52055   0.52442   0.52786   0.52993   0.53368
     Eigenvalues ---    0.54086   0.54112   0.54199   0.54201   0.54206
     Eigenvalues ---    0.54243   0.54466   0.54955   0.55125   0.55305
     Eigenvalues ---    0.55329   0.55352   0.55364   0.55391   0.55419
     Eigenvalues ---    0.55422   0.55486   0.55570   0.55633   0.55702
     Eigenvalues ---    0.55706   0.55762   0.55834   0.55939   0.55948
     Eigenvalues ---    0.56147   0.56152   0.56153   0.56216   0.56259
     Eigenvalues ---    0.56269   0.56312   0.56403   0.56662   0.56664
     Eigenvalues ---    0.56670   0.56672   0.56682   0.56688   0.56847
     Eigenvalues ---    0.56901   0.56914   0.57050   0.57152   0.57175
     Eigenvalues ---    0.57180   0.57193   0.57197   0.57211   0.57628
     Eigenvalues ---    0.61781   0.62932   0.66047   0.66093   0.67649
     Eigenvalues ---    0.67657   0.67659   0.68788   0.69998   0.70086
     Eigenvalues ---    0.71645   0.74948   0.80045
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    40   39   38   37   36   35   34   33   32   31
 RFO step:  Lambda=-9.06666973D-07.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 RFO-DIIS uses    4 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.65399   -0.22597   -1.16008    0.73206    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00330996 RMS(Int)=  0.00000532
 Iteration  2 RMS(Cart)=  0.00000851 RMS(Int)=  0.00000358
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000358
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64735  -0.00001  -0.00006  -0.00001  -0.00007   2.64729
    R2        2.66038   0.00001   0.00003  -0.00000   0.00002   2.66040
    R3        2.80240  -0.00001   0.00006  -0.00003   0.00003   2.80243
    R4        2.64577   0.00003   0.00007   0.00002   0.00009   2.64586
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   A78        2.11692  -0.00000   0.00001  -0.00001   0.00000   2.11692
   A79        2.08668   0.00000   0.00003   0.00001   0.00004   2.08672
   A80        2.07871  -0.00000  -0.00004  -0.00000  -0.00004   2.07866
   A81        2.09829   0.00000   0.00002  -0.00000   0.00001   2.09830
   A82        2.09993  -0.00000  -0.00003   0.00000  -0.00003   2.09990
   A83        2.08473   0.00000   0.00001   0.00000   0.00001   2.08475
   A84        2.07997  -0.00000  -0.00003   0.00001  -0.00002   2.07995
   A85        2.10138   0.00000   0.00000  -0.00000   0.00000   2.10138
   A86        2.10183   0.00000   0.00003  -0.00001   0.00002   2.10185
   A87        2.09785   0.00000   0.00001  -0.00000   0.00001   2.09786
   A88        2.08509   0.00000   0.00002  -0.00000   0.00002   2.08510
   A89        2.09999  -0.00000  -0.00003   0.00000  -0.00002   2.09997
   A90        2.11729   0.00000   0.00002  -0.00001   0.00001   2.11729
   A91        2.08462   0.00000   0.00003   0.00001   0.00004   2.08465
   A92        2.08034  -0.00000  -0.00005  -0.00000  -0.00005   2.08030
   A93        2.11739   0.00000   0.00001   0.00000   0.00001   2.11740
   A94        2.08560  -0.00000   0.00001  -0.00001  -0.00000   2.08559
   A95        2.07929   0.00000  -0.00002   0.00001  -0.00000   2.07928
   A96        2.09823   0.00000   0.00001   0.00000   0.00002   2.09824
   A97        2.09975  -0.00001  -0.00003  -0.00001  -0.00004   2.09970
   A98        2.08497   0.00000   0.00002   0.00001   0.00003   2.08500
   A99        2.07990  -0.00001  -0.00003  -0.00001  -0.00004   2.07987
   A100       2.10196   0.00000   0.00000   0.00001   0.00001   2.10197
   A101       2.10132   0.00000   0.00002   0.00000   0.00003   2.10135
   A102       2.09792   0.00000   0.00001   0.00001   0.00002   2.09794
   A103       2.08481   0.00000   0.00003   0.00000   0.00003   2.08484
   A104       2.10021  -0.00001  -0.00004  -0.00001  -0.00005   2.10016
   A105       2.11777   0.00000   0.00001  -0.00000   0.00001   2.11778
   A106       2.08593  -0.00000   0.00001  -0.00001  -0.00000   2.08593
   A107       2.07858   0.00000  -0.00002   0.00002  -0.00000   2.07858
   A108       2.11774   0.00000  -0.00000   0.00000  -0.00000   2.11774
   A109       2.08689  -0.00000   0.00000  -0.00000   0.00000   2.08689
   A110       2.07771  -0.00000   0.00000  -0.00000  -0.00000   2.07771
   A111       2.09808   0.00000   0.00001   0.00001   0.00002   2.09810
   A112       2.10010  -0.00001  -0.00003  -0.00002  -0.00004   2.10006
   A113       2.08477   0.00000   0.00002   0.00001   0.00002   2.08479
   A114       2.07975  -0.00001  -0.00002  -0.00001  -0.00003   2.07972
   A115       2.10159   0.00000   0.00001   0.00001   0.00002   2.10160
   A116       2.10185   0.00000   0.00001   0.00001   0.00002   2.10187
   A117       2.09828   0.00000   0.00000   0.00001   0.00001   2.09829
   A118       2.08490   0.00000   0.00002   0.00001   0.00003   2.08493
   A119       2.09977  -0.00001  -0.00003  -0.00001  -0.00004   2.09973
   A120       2.11759   0.00000   0.00000   0.00000   0.00001   2.11760
   A121       2.08549  -0.00000  -0.00000  -0.00001  -0.00001   2.08548
   A122       2.07938  -0.00000   0.00000   0.00000   0.00000   2.07938
   A123       2.19604   0.00000   0.00001  -0.00000   0.00001   2.19605
   A124       2.19622   0.00000   0.00000   0.00001   0.00001   2.19623
   A125       1.89092  -0.00000  -0.00002  -0.00001  -0.00002   1.89090
   A126       2.19621  -0.00000  -0.00001  -0.00000  -0.00001   2.19620
   A127       2.19617  -0.00000   0.00002  -0.00001   0.00001   2.19618
   A128       1.89080   0.00001  -0.00001   0.00001   0.00000   1.89081
   A129       2.19609   0.00000   0.00000   0.00000   0.00001   2.19610
   A130       2.19610   0.00000   0.00001  -0.00000   0.00001   2.19611
   A131       1.89099  -0.00000  -0.00002  -0.00000  -0.00002   1.89097
   A132       1.90145   0.00000  -0.00000   0.00000   0.00000   1.90145
   A133       2.25980   0.00000   0.00001  -0.00000   0.00001   2.25981
   A134       2.12141  -0.00000  -0.00001   0.00000  -0.00001   2.12140
   A135       1.86554  -0.00001   0.00001  -0.00001  -0.00000   1.86554
   A136       2.08637   0.00000   0.00001  -0.00000   0.00000   2.08637
   A137       2.33120   0.00000  -0.00001   0.00001   0.00000   2.33120
   A138       1.86552  -0.00001   0.00000  -0.00001  -0.00001   1.86551
   A139       2.33119   0.00000  -0.00001   0.00001   0.00000   2.33120
   A140       2.08641   0.00000   0.00001  -0.00000   0.00000   2.08641
   A141       1.90146   0.00000   0.00000   0.00000   0.00001   1.90146
   A142       2.25990   0.00000   0.00001  -0.00000   0.00001   2.25991
   A143       2.12131  -0.00000  -0.00001   0.00000  -0.00001   2.12130
   A144       1.90152   0.00000  -0.00000   0.00000   0.00000   1.90152
   A145       2.25964   0.00001   0.00004   0.00002   0.00006   2.25970
   A146       2.12153  -0.00001  -0.00004  -0.00002  -0.00006   2.12147
   A147       1.86541   0.00000   0.00001  -0.00000   0.00001   1.86542
   A148       2.08626   0.00001   0.00003   0.00002   0.00005   2.08630
   A149       2.33146  -0.00001  -0.00004  -0.00002  -0.00005   2.33140
   A150       1.86546   0.00000   0.00001  -0.00000   0.00001   1.86547
   A151       2.33140  -0.00001  -0.00004  -0.00001  -0.00005   2.33135
   A152       2.08626   0.00001   0.00003   0.00001   0.00004   2.08630
   A153       1.90147   0.00000  -0.00000   0.00000   0.00000   1.90147
   A154       2.25972   0.00001   0.00004   0.00002   0.00005   2.25977
   A155       2.12151  -0.00001  -0.00003  -0.00002  -0.00005   2.12146
   A156       1.90164   0.00000  -0.00000   0.00000   0.00000   1.90165
   A157       2.25934   0.00001   0.00003   0.00001   0.00005   2.25939
   A158       2.12174  -0.00001  -0.00003  -0.00002  -0.00005   2.12169
   A159       1.86524   0.00000   0.00001  -0.00000   0.00001   1.86525
   A160       2.08614   0.00001   0.00002   0.00001   0.00004   2.08618
   A161       2.33174  -0.00001  -0.00003  -0.00001  -0.00004   2.33170
   A162       1.86520   0.00000   0.00001  -0.00000   0.00001   1.86520
   A163       2.33182  -0.00001  -0.00003  -0.00001  -0.00004   2.33178
   A164       2.08611   0.00001   0.00002   0.00002   0.00004   2.08615
   A165       1.90170   0.00000  -0.00000   0.00001   0.00000   1.90171
   A166       2.25948   0.00001   0.00003   0.00001   0.00004   2.25952
   A167       2.12155  -0.00001  -0.00003  -0.00002  -0.00005   2.12150
   A168       2.07983   0.00000   0.00000   0.00000   0.00000   2.07983
   A169       2.10023  -0.00000  -0.00001  -0.00000  -0.00001   2.10021
   A170       2.10312   0.00000   0.00001   0.00000   0.00001   2.10313
   A171       2.10406  -0.00000  -0.00001   0.00000  -0.00000   2.10406
   A172       2.09192   0.00000   0.00001   0.00001   0.00002   2.09193
   A173       2.08719  -0.00000  -0.00000  -0.00001  -0.00001   2.08718
   A174       2.11970   0.00000   0.00000   0.00000   0.00001   2.11971
   A175       2.08509  -0.00000   0.00000  -0.00001  -0.00001   2.08509
   A176       2.07839  -0.00000  -0.00000   0.00000   0.00000   2.07839
   A177       2.05489   0.00000   0.00000  -0.00000   0.00000   2.05489
   A178       2.11733   0.00000   0.00001  -0.00001   0.00000   2.11734
   A179       2.11094  -0.00000  -0.00001   0.00001  -0.00000   2.11093
   A180       2.05477   0.00000   0.00000  -0.00000  -0.00000   2.05477
   A181       2.11740   0.00000   0.00001  -0.00001   0.00001   2.11740
   A182       2.11100  -0.00000  -0.00001   0.00001  -0.00001   2.11099
   A183       2.11978   0.00000   0.00000   0.00000   0.00001   2.11978
   A184       2.07825  -0.00000  -0.00000   0.00000  -0.00000   2.07825
   A185       2.08515  -0.00000   0.00000  -0.00001  -0.00000   2.08515
   A186       2.10406  -0.00000  -0.00000  -0.00000  -0.00000   2.10406
   A187       2.08728  -0.00000  -0.00000  -0.00001  -0.00001   2.08727
   A188       2.09183   0.00000   0.00001   0.00001   0.00001   2.09184
   A189       2.07981   0.00000   0.00000   0.00000   0.00000   2.07981
   A190       2.10022  -0.00000  -0.00001  -0.00000  -0.00001   2.10021
   A191       2.10314   0.00000   0.00001   0.00000   0.00001   2.10315
   A192       2.07983   0.00000  -0.00000   0.00000   0.00000   2.07983
   A193       2.10022  -0.00000  -0.00002  -0.00001  -0.00002   2.10020
   A194       2.10312   0.00000   0.00002   0.00001   0.00002   2.10314
   A195       2.10410  -0.00000  -0.00002  -0.00001  -0.00002   2.10408
   A196       2.09184   0.00000   0.00002   0.00001   0.00003   2.09186
   A197       2.08723  -0.00000  -0.00000  -0.00000  -0.00000   2.08723
   A198       2.11976   0.00000   0.00001   0.00001   0.00002   2.11977
   A199       2.08515  -0.00000   0.00001  -0.00000   0.00000   2.08515
   A200       2.07827  -0.00000  -0.00001  -0.00000  -0.00002   2.07825
   A201       2.05475   0.00000   0.00001   0.00001   0.00002   2.05477
   A202       2.11727   0.00000   0.00003   0.00001   0.00003   2.11731
   A203       2.11115  -0.00001  -0.00004  -0.00002  -0.00005   2.11109
   A204       2.05475   0.00000   0.00001   0.00001   0.00002   2.05477
   A205       2.11723   0.00000   0.00002   0.00001   0.00004   2.11727
   A206       2.11118  -0.00001  -0.00004  -0.00002  -0.00006   2.11113
   A207       2.11973   0.00000   0.00001   0.00001   0.00002   2.11974
   A208       2.07834  -0.00000  -0.00002  -0.00001  -0.00002   2.07832
   A209       2.08511  -0.00000   0.00000  -0.00000   0.00000   2.08511
   A210       2.10413  -0.00000  -0.00002  -0.00001  -0.00003   2.10411
   A211       2.08718  -0.00000   0.00000  -0.00000  -0.00000   2.08718
   A212       2.09186   0.00000   0.00002   0.00001   0.00003   2.09189
   A213       2.07982   0.00000  -0.00000   0.00000   0.00000   2.07982
   A214       2.10024  -0.00000  -0.00002  -0.00001  -0.00003   2.10021
   A215       2.10312   0.00000   0.00002   0.00001   0.00002   2.10314
   A216       2.07993   0.00000  -0.00000   0.00000  -0.00000   2.07993
   A217       2.10022  -0.00000  -0.00001  -0.00001  -0.00002   2.10020
   A218       2.10303   0.00000   0.00001   0.00001   0.00002   2.10305
   A219       2.10412  -0.00000  -0.00001  -0.00001  -0.00002   2.10410
   A220       2.09180   0.00000   0.00002   0.00001   0.00003   2.09183
   A221       2.08725  -0.00000  -0.00000  -0.00000  -0.00000   2.08724
   A222       2.11972   0.00000   0.00001   0.00001   0.00002   2.11973
   A223       2.08502  -0.00000   0.00000  -0.00000   0.00000   2.08502
   A224       2.07844  -0.00000  -0.00001  -0.00000  -0.00002   2.07843
   A225       2.05480   0.00000   0.00001   0.00001   0.00001   2.05481
   A226       2.11673   0.00000   0.00002   0.00001   0.00003   2.11675
   A227       2.11164  -0.00001  -0.00003  -0.00001  -0.00004   2.11160
   A228       2.05457   0.00000   0.00001   0.00001   0.00002   2.05458
   A229       2.11712   0.00000   0.00002   0.00001   0.00003   2.11715
   A230       2.11148  -0.00001  -0.00003  -0.00002  -0.00005   2.11143
   A231       2.11981   0.00000   0.00001   0.00001   0.00002   2.11982
   A232       2.07828  -0.00000  -0.00001  -0.00000  -0.00002   2.07827
   A233       2.08509  -0.00000   0.00000  -0.00000   0.00000   2.08509
   A234       2.10420  -0.00000  -0.00001  -0.00001  -0.00002   2.10417
   A235       2.08717  -0.00000  -0.00000  -0.00000  -0.00000   2.08716
   A236       2.09181   0.00000   0.00002   0.00001   0.00003   2.09184
   A237       2.07977   0.00000  -0.00000   0.00000   0.00000   2.07977
   A238       2.10029  -0.00000  -0.00002  -0.00001  -0.00002   2.10027
   A239       2.10312   0.00000   0.00002   0.00001   0.00002   2.10314
   A240       2.01717   0.00000  -0.00003   0.00003   0.00000   2.01717
   A241       1.84564  -0.00000  -0.00005  -0.00003  -0.00008   1.84556
   A242       1.73056  -0.00000   0.00002  -0.00004  -0.00003   1.73054
   A243       2.02779   0.00000  -0.00002   0.00002   0.00000   2.02779
   A244       2.03117  -0.00001  -0.00006  -0.00005  -0.00011   2.03106
   A245       1.77166   0.00000   0.00016   0.00008   0.00023   1.77189
   A246       2.11357  -0.00000  -0.00053   0.00006  -0.00045   2.11312
   A247       2.06288  -0.00002  -0.00010  -0.00004  -0.00014   2.06274
   A248       1.87660  -0.00000  -0.00011  -0.00001  -0.00013   1.87647
   A249       1.88253  -0.00000  -0.00000   0.00004   0.00006   1.88259
   A250       1.89427  -0.00000  -0.00026  -0.00003  -0.00029   1.89399
   A251       1.95501   0.00000   0.00009   0.00003   0.00013   1.95514
   A252       1.95986   0.00001   0.00013   0.00004   0.00019   1.96005
   A253       1.89316  -0.00000   0.00012  -0.00007   0.00002   1.89319
   A254       1.91050  -0.00001  -0.00004  -0.00003  -0.00006   1.91043
   A255       1.93769   0.00001   0.00005   0.00003   0.00007   1.93776
   A256       1.93703   0.00000  -0.00000   0.00000   0.00000   1.93704
   A257       1.89095   0.00000  -0.00002  -0.00000  -0.00002   1.89093
   A258       1.89062   0.00000   0.00000   0.00000   0.00001   1.89062
   A259       1.89585  -0.00000   0.00001  -0.00000   0.00000   1.89586
   A260       1.88137  -0.00000  -0.00004  -0.00001  -0.00005   1.88132
   A261       1.89054   0.00000   0.00016   0.00000   0.00016   1.89070
   A262       1.89433  -0.00000  -0.00010  -0.00001  -0.00010   1.89423
   A263       1.94738   0.00000   0.00000   0.00001   0.00001   1.94739
   A264       1.95116   0.00000   0.00001  -0.00001   0.00000   1.95116
   A265       1.89742  -0.00000  -0.00002   0.00000  -0.00002   1.89740
   A266       1.93702   0.00000   0.00002   0.00001   0.00003   1.93706
   A267       1.91352  -0.00000   0.00002  -0.00001   0.00001   1.91353
   A268       1.93466  -0.00000  -0.00004  -0.00001  -0.00004   1.93461
   A269       1.89202  -0.00000   0.00001  -0.00000   0.00001   1.89203
   A270       1.89326   0.00000  -0.00001   0.00000  -0.00001   1.89325
   A271       1.89225   0.00000  -0.00000   0.00000  -0.00000   1.89225
   A272       1.96438   0.00001   0.00586  -0.00000   0.00585   1.97023
   A273       1.58699   0.00000  -0.00569  -0.00006  -0.00577   1.58122
   A274       1.73748   0.00003   0.00105   0.00019   0.00125   1.73873
   A275       1.80762   0.00003  -0.00096   0.00017  -0.00079   1.80683
   A276       1.24059  -0.00000   0.00084   0.00017   0.00102   1.24160
   A277       1.33515  -0.00000  -0.00081   0.00011  -0.00069   1.33446
   A278       0.54798  -0.00001  -0.00129   0.00000  -0.00126   0.54671
    D1        0.01079  -0.00000  -0.00003  -0.00000  -0.00003   0.01076
    D2        3.11104  -0.00000  -0.00003  -0.00001  -0.00005   3.11099
    D3       -3.13074  -0.00000  -0.00002  -0.00000  -0.00002  -3.13076
    D4       -0.03049  -0.00000  -0.00002  -0.00001  -0.00003  -0.03052
    D5       -0.03107   0.00000   0.00009   0.00004   0.00013  -0.03094
    D6        3.10420   0.00000   0.00011   0.00003   0.00014   3.10434
    D7        3.11046   0.00000   0.00008   0.00004   0.00011   3.11057
    D8       -0.03746   0.00000   0.00010   0.00003   0.00013  -0.03733
    D9        2.49593  -0.00001  -0.00019  -0.00032  -0.00051   2.49542
   D10       -0.64647  -0.00001  -0.00019  -0.00031  -0.00050  -0.64697
   D11       -0.64559  -0.00001  -0.00018  -0.00031  -0.00050  -0.64609
   D12        2.49520  -0.00001  -0.00018  -0.00031  -0.00049   2.49471
   D13        0.03406  -0.00000  -0.00007  -0.00004  -0.00011   0.03396
   D14       -3.02141   0.00000  -0.00027   0.00006  -0.00021  -3.02162
   D15       -3.06588  -0.00000  -0.00006  -0.00003  -0.00009  -3.06596
   D16        0.16184   0.00000  -0.00027   0.00007  -0.00019   0.16164
   D17       -0.05922   0.00000   0.00010   0.00005   0.00015  -0.05907
   D18        3.04808   0.00001   0.00032   0.00026   0.00058   3.04866
   D19        3.00045   0.00000   0.00030  -0.00005   0.00024   3.00070
   D20       -0.17544   0.00001   0.00051   0.00017   0.00068  -0.17476
   D21       -2.91273  -0.00002   0.00012  -0.00061  -0.00049  -2.91322
   D22        0.35901  -0.00002  -0.00018  -0.00060  -0.00078   0.35824
   D23        0.31454  -0.00002  -0.00008  -0.00051  -0.00058   0.31395
   D24       -2.69691  -0.00001  -0.00038  -0.00049  -0.00087  -2.69778
   D25        0.04013  -0.00000  -0.00005  -0.00001  -0.00006   0.04007
   D26       -3.11506  -0.00000  -0.00001  -0.00004  -0.00005  -3.11511
   D27       -3.06715  -0.00001  -0.00026  -0.00023  -0.00049  -3.06764
   D28        0.06085  -0.00001  -0.00022  -0.00026  -0.00048   0.06037
   D29       -0.38854   0.00001  -0.00048   0.00025  -0.00023  -0.38877
   D30        2.82549   0.00001  -0.00061   0.00023  -0.00038   2.82511
   D31        2.71864   0.00001  -0.00026   0.00047   0.00021   2.71885
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   D33        0.00581  -0.00000  -0.00005  -0.00003  -0.00008   0.00573
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   D254       3.12609   0.00000   0.00022   0.00004   0.00026   3.12635
   D255      -0.02837   0.00001   0.00050   0.00007   0.00057  -0.02780
   D256       0.00591   0.00000   0.00012  -0.00003   0.00009   0.00600
   D257      -3.14098   0.00000   0.00007  -0.00000   0.00007  -3.14091
   D258      -3.12113  -0.00000  -0.00015  -0.00007  -0.00022  -3.12135
   D259       0.01517  -0.00000  -0.00019  -0.00005  -0.00024   0.01493
   D260       0.00197   0.00000   0.00005  -0.00001   0.00005   0.00202
   D261       3.11225   0.00001   0.00014   0.00010   0.00024   3.11249
   D262      -3.12890  -0.00000  -0.00018  -0.00003  -0.00021  -3.12912
   D263      -0.01863   0.00000  -0.00010   0.00007  -0.00003  -0.01865
   D264      -3.12164  -0.00000  -0.00021  -0.00006  -0.00027  -3.12191
   D265       0.01491  -0.00000  -0.00025  -0.00004  -0.00029   0.01462
   D266       0.00580   0.00000   0.00010  -0.00002   0.00008   0.00587
   D267      -3.14084   0.00000   0.00006  -0.00000   0.00006  -3.14078
   D268       3.12111   0.00000   0.00014   0.00006   0.00019   3.12131
   D269      -0.01358   0.00000   0.00013   0.00006   0.00018  -0.01339
   D270       0.01790  -0.00000   0.00003  -0.00007  -0.00004   0.01786
   D271      -3.11679  -0.00000   0.00002  -0.00007  -0.00005  -3.11684
   D272       0.00187  -0.00000   0.00002  -0.00001   0.00001   0.00188
   D273      -3.12925  -0.00000  -0.00011   0.00001  -0.00009  -3.12935
   D274       3.11279  -0.00000  -0.00005  -0.00002  -0.00007   3.11271
   D275      -0.01834  -0.00000  -0.00017   0.00000  -0.00017  -0.01851
   D276       3.12155   0.00000   0.00003  -0.00002   0.00002   3.12156
   D277      -0.01249   0.00000   0.00007   0.00000   0.00007  -0.01242
   D278       0.01754   0.00000   0.00012  -0.00000   0.00012   0.01766
   D279      -3.11650   0.00000   0.00015   0.00002   0.00017  -3.11633
   D280      -0.00225   0.00000  -0.00001   0.00000  -0.00001  -0.00226
   D281       3.12668   0.00000   0.00014   0.00001   0.00015   3.12683
   D282       3.12677   0.00000   0.00013  -0.00002   0.00011   3.12688
   D283      -0.02749   0.00000   0.00029  -0.00001   0.00028  -0.02721
   D284       0.00573   0.00000   0.00011  -0.00000   0.00011   0.00584
   D285      -3.14102   0.00000   0.00007   0.00001   0.00008  -3.14094
   D286      -3.12203  -0.00000  -0.00005   0.00002  -0.00003  -3.12206
   D287       0.01441   0.00000  -0.00009   0.00004  -0.00006   0.01435
   D288       0.00182  -0.00000   0.00001  -0.00000   0.00001   0.00183
   D289       3.11293  -0.00000  -0.00005   0.00000  -0.00004   3.11288
   D290      -3.12922  -0.00000  -0.00012  -0.00000  -0.00013  -3.12935
   D291      -0.01812  -0.00000  -0.00018  -0.00000  -0.00018  -0.01830
   D292      -3.12191  -0.00000  -0.00006  -0.00001  -0.00007  -3.12198
   D293       0.01466  -0.00000  -0.00011  -0.00000  -0.00011   0.01455
   D294       0.00575   0.00000   0.00011  -0.00000   0.00011   0.00586
   D295      -3.14087   0.00000   0.00007   0.00000   0.00007  -3.14080
   D296       3.12152   0.00000   0.00006   0.00001   0.00006   3.12158
   D297      -0.01344   0.00000   0.00009   0.00003   0.00012  -0.01332
   D298       0.01729   0.00000   0.00012   0.00000   0.00013   0.01742
   D299      -3.11767   0.00000   0.00015   0.00003   0.00018  -3.11749
   D300      -0.00181   0.00000  -0.00001   0.00001   0.00000  -0.00181
   D301       3.12945   0.00000   0.00011   0.00001   0.00011   3.12956
   D302      -3.11372   0.00000   0.00005  -0.00000   0.00005  -3.11368
   D303       0.01753   0.00000   0.00017  -0.00001   0.00016   0.01769
   D304      -3.12198  -0.00000  -0.00004  -0.00001  -0.00004  -3.12202
   D305       0.01308  -0.00000  -0.00005  -0.00003  -0.00009   0.01299
   D306      -0.01674  -0.00000  -0.00011   0.00001  -0.00010  -0.01684
   D307       3.11832  -0.00000  -0.00013  -0.00002  -0.00015   3.11818
   D308       0.00219  -0.00000   0.00002  -0.00000   0.00001   0.00220
   D309      -3.12727  -0.00000  -0.00017   0.00002  -0.00016  -3.12743
   D310      -3.12699  -0.00000  -0.00012  -0.00000  -0.00012  -3.12711
   D311       0.02674  -0.00000  -0.00031   0.00002  -0.00029   0.02645
   D312      -0.00555  -0.00000  -0.00011   0.00001  -0.00010  -0.00566
   D313       3.14097  -0.00000  -0.00007  -0.00000  -0.00008   3.14089
   D314       3.12238   0.00000   0.00004   0.00000   0.00004   3.12243
   D315      -0.01428   0.00000   0.00008  -0.00001   0.00007  -0.01421
   D316      -0.00178   0.00000  -0.00002   0.00000  -0.00002  -0.00180
   D317      -3.11398   0.00000   0.00002   0.00001   0.00002  -3.11396
   D318       3.12971   0.00000   0.00014  -0.00002   0.00012   3.12983
   D319       0.01751   0.00000   0.00017  -0.00001   0.00016   0.01767
   D320       3.12269   0.00000   0.00009  -0.00001   0.00008   3.12277
   D321      -0.01396   0.00000   0.00014  -0.00003   0.00012  -0.01384
   D322      -0.00556  -0.00000  -0.00011   0.00001  -0.00010  -0.00566
   D323       3.14098  -0.00000  -0.00006  -0.00000  -0.00006   3.14091
   D324      -3.12229  -0.00000  -0.00007   0.00001  -0.00006  -3.12235
   D325       0.01276  -0.00000  -0.00010   0.00000  -0.00010   0.01265
   D326      -0.01671  -0.00000  -0.00012   0.00001  -0.00011  -0.01682
   D327       3.11834  -0.00000  -0.00015  -0.00001  -0.00016   3.11819
   D328       0.00689  -0.00000  -0.00004  -0.00002  -0.00006   0.00683
   D329      -3.13988  -0.00000  -0.00001  -0.00002  -0.00004  -3.13992
   D330      -3.12965  -0.00000  -0.00000  -0.00004  -0.00004  -3.12969
   D331       0.00676  -0.00000   0.00003  -0.00005  -0.00002   0.00674
   D332      -0.00747   0.00000  -0.00002   0.00002  -0.00000  -0.00748
   D333       3.13085   0.00000  -0.00001   0.00004   0.00003   3.13087
   D334       3.13929   0.00000  -0.00005   0.00002  -0.00003   3.13926
   D335      -0.00558   0.00000  -0.00004   0.00004   0.00000  -0.00558
   D336      -0.00491   0.00000   0.00003   0.00003   0.00005  -0.00486
   D337       3.12981   0.00000   0.00004   0.00003   0.00006   3.12987
   D338       3.13994   0.00000   0.00002   0.00001   0.00002   3.13996
   D339      -0.00853   0.00000   0.00003   0.00001   0.00003  -0.00849
   D340      -0.00486   0.00000   0.00004   0.00002   0.00006  -0.00480
   D341       3.14044   0.00000   0.00003   0.00001   0.00003   3.14047
   D342       3.12907   0.00000   0.00002   0.00002   0.00004   3.12911
   D343      -0.00882  -0.00000   0.00001   0.00000   0.00001  -0.00880
   D344      -0.00770   0.00000  -0.00004   0.00002  -0.00002  -0.00771
   D345       3.13953   0.00000  -0.00007   0.00002  -0.00004   3.13948
   D346       3.13017   0.00000  -0.00003   0.00004   0.00001   3.13018
   D347      -0.00579   0.00000  -0.00006   0.00004  -0.00002  -0.00581
   D348       0.00703  -0.00000  -0.00004  -0.00002  -0.00006   0.00697
   D349      -3.12926  -0.00000   0.00000  -0.00004  -0.00004  -3.12930
   D350      -3.14021  -0.00000  -0.00001  -0.00002  -0.00003  -3.14024
   D351       0.00669  -0.00000   0.00003  -0.00005  -0.00001   0.00667
   D352       0.00660   0.00000  -0.00000   0.00001   0.00001   0.00661
   D353      -3.14006  -0.00000   0.00001  -0.00001  -0.00000  -3.14007
   D354      -3.12996   0.00000   0.00005   0.00000   0.00005  -3.12991
   D355       0.00656  -0.00000   0.00005  -0.00001   0.00004   0.00660
   D356      -0.00729  -0.00000  -0.00005  -0.00001  -0.00006  -0.00735
   D357       3.13112  -0.00000  -0.00005   0.00000  -0.00005   3.13106
   D358       3.13936  -0.00000  -0.00006   0.00001  -0.00005   3.13931
   D359      -0.00542   0.00000  -0.00006   0.00002  -0.00004  -0.00546
   D360      -0.00465  -0.00000  -0.00001   0.00000  -0.00001  -0.00465
   D361       3.13034  -0.00000  -0.00004  -0.00002  -0.00006   3.13027
   D362       3.14012  -0.00000  -0.00001  -0.00001  -0.00002   3.14011
   D363      -0.00808  -0.00000  -0.00004  -0.00003  -0.00007  -0.00815
   D364      -0.00469   0.00000  -0.00000   0.00000  -0.00000  -0.00469
   D365       3.14055  -0.00000  -0.00000  -0.00000  -0.00001   3.14054
   D366       3.12937  -0.00000  -0.00004  -0.00001  -0.00005   3.12932
   D367      -0.00857  -0.00000  -0.00004  -0.00002  -0.00006  -0.00863
   D368      -0.00748  -0.00000  -0.00005  -0.00001  -0.00006  -0.00754
   D369       3.13956   0.00000  -0.00006   0.00001  -0.00005   3.13952
   D370       3.13044  -0.00000  -0.00005   0.00000  -0.00005   3.13039
   D371      -0.00570   0.00000  -0.00006   0.00002  -0.00004  -0.00573
   D372       0.00683   0.00000  -0.00000   0.00001   0.00001   0.00683
   D373      -3.12961   0.00000   0.00004  -0.00001   0.00004  -3.12957
   D374      -3.14023  -0.00000   0.00000  -0.00001  -0.00001  -3.14024
   D375       0.00652  -0.00000   0.00005  -0.00003   0.00002   0.00654
   D376      -0.00639  -0.00000   0.00000  -0.00001  -0.00000  -0.00640
   D377       3.14019   0.00000  -0.00001   0.00001  -0.00000   3.14019
   D378       3.13025  -0.00000  -0.00005   0.00001  -0.00004   3.13021
   D379      -0.00635   0.00000  -0.00007   0.00002  -0.00004  -0.00639
   D380       0.00707   0.00000   0.00005   0.00000   0.00005   0.00712
   D381      -3.13126   0.00000   0.00005  -0.00000   0.00004  -3.13121
   D382      -3.13950   0.00000   0.00007  -0.00001   0.00005  -3.13945
   D383       0.00535  -0.00000   0.00007  -0.00002   0.00004   0.00540
   D384       0.00447  -0.00000   0.00001  -0.00000   0.00000   0.00448
   D385      -3.13060   0.00000   0.00004   0.00001   0.00005  -3.13055
   D386      -3.14037   0.00000   0.00001   0.00000   0.00001  -3.14036
   D387       0.00774   0.00000   0.00004   0.00002   0.00006   0.00780
   D388       0.00450  -0.00000   0.00000  -0.00001  -0.00000   0.00449
   D389      -3.14027   0.00000  -0.00000   0.00000   0.00000  -3.14027
   D390      -3.13059   0.00000   0.00002   0.00002   0.00004  -3.13055
   D391       0.00783   0.00000   0.00002   0.00003   0.00004   0.00788
   D392       0.00706   0.00000   0.00005   0.00001   0.00006   0.00712
   D393      -3.13944  -0.00000   0.00006  -0.00001   0.00005  -3.13939
   D394      -3.13134   0.00000   0.00005  -0.00000   0.00005  -3.13129
   D395       0.00534  -0.00000   0.00006  -0.00002   0.00004   0.00538
   D396      -0.00640  -0.00000   0.00001  -0.00001  -0.00000  -0.00640
   D397       3.13025   0.00000  -0.00003   0.00000  -0.00003   3.13022
   D398       3.14011   0.00000  -0.00000   0.00001   0.00001   3.14012
   D399      -0.00642   0.00000  -0.00004   0.00002  -0.00001  -0.00643
   D400       1.63202   0.00001   0.00279   0.00031   0.00311   1.63514
   D401      -0.63129   0.00001   0.00288   0.00029   0.00318  -0.62811
   D402      -2.85230   0.00001   0.00285   0.00028   0.00314  -2.84916
   D403      -3.09397  -0.00001  -0.00157   0.00008  -0.00150  -3.09546
   D404      -0.91911  -0.00001  -0.00163   0.00006  -0.00157  -0.92068
   D405       1.29970  -0.00000  -0.00156   0.00011  -0.00146   1.29825
   D406       2.78144   0.00000   0.00382  -0.00008   0.00375   2.78519
   D407      -1.39029   0.00000   0.00387  -0.00002   0.00386  -1.38643
   D408       0.65748  -0.00000   0.00388  -0.00010   0.00377   0.66125
   D409       2.99185   0.00002   0.00501   0.00007   0.00508   2.99693
   D410      -1.18173   0.00002   0.00508   0.00008   0.00516  -1.17657
   D411       0.87553   0.00002   0.00508   0.00008   0.00517   0.88070
   D412       3.11866  -0.00000   0.00028   0.00004   0.00033   3.11899
   D413      -1.07774  -0.00000   0.00026   0.00004   0.00030  -1.07744
   D414       1.03270   0.00000   0.00030   0.00005   0.00036   1.03305
   D415       1.05339   0.00000   0.00030  -0.00002   0.00026   1.05366
   D416       3.14018   0.00000   0.00028  -0.00002   0.00024   3.14042
   D417      -1.03257   0.00000   0.00032  -0.00001   0.00029  -1.03228
   D418      -1.08200  -0.00000  -0.00003   0.00002  -0.00000  -1.08200
   D419       1.00479  -0.00000  -0.00005   0.00001  -0.00003   1.00476
   D420       3.11522   0.00000  -0.00001   0.00003   0.00003   3.11525
   D421       1.25782  -0.00000  -0.00451  -0.00024  -0.00473   1.25309
   D422      -2.96362  -0.00000  -0.00459  -0.00021  -0.00478  -2.96840
   D423      -0.79067   0.00000  -0.00427  -0.00018  -0.00443  -0.79511
   D424      -1.41746   0.00000  -0.00123   0.00013  -0.00110  -1.41856
   D425       2.79357   0.00000  -0.00101   0.00013  -0.00086   2.79271
   D426       0.62350  -0.00001  -0.00131   0.00011  -0.00117   0.62233
   D427       1.04551   0.00000   0.00065   0.00007   0.00072   1.04624
   D428       3.13516   0.00000   0.00069   0.00007   0.00076   3.13592
   D429      -1.05959   0.00000   0.00067   0.00007   0.00074  -1.05885
   D430      -1.02812   0.00000   0.00049   0.00007   0.00055  -1.02757
   D431       1.06153   0.00000   0.00052   0.00007   0.00059   1.06212
   D432      -3.13322   0.00000   0.00050   0.00006   0.00057  -3.13265
   D433       3.12602  -0.00000   0.00051   0.00006   0.00057   3.12659
   D434      -1.06752   0.00000   0.00054   0.00006   0.00060  -1.06692
   D435       1.02092  -0.00000   0.00053   0.00005   0.00058   1.02150
   D436      -1.32337  -0.00001   0.00513   0.00010   0.00521  -1.31816
   D437      -1.22932  -0.00000   0.00409   0.00017   0.00425  -1.22506
   D438       0.42945  -0.00000   0.00171   0.00011   0.00179   0.43124
   D439       1.10805   0.00001   0.00273   0.00001   0.00275   1.11080
   D440       0.92668   0.00000   0.00225   0.00005   0.00231   0.92899
   D441      -0.39487   0.00000  -0.00048  -0.00009  -0.00057  -0.39544
         Item               Value     Threshold  Converged?
 Maximum Force            0.000165     0.000450     YES
 RMS     Force            0.000010     0.000300     YES
 Maximum Displacement     0.020655     0.001800     NO 
 RMS     Displacement     0.003311     0.001200     NO 
 Predicted change in Energy=-3.740776D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.836656    2.897971    0.556598
      2          6           0       -2.068442    1.522526    0.686599
      3          6           0       -1.019363    0.596114    0.726011
      4          6           0        0.306875    1.072463    0.673402
      5          6           0        0.548095    2.442570    0.512131
      6          6           0       -0.505036    3.342499    0.450974
      7          6           0       -1.236047   -0.864502    0.713942
      8          6           0       -0.169265   -1.741845    1.032305
      9          6           0        1.120037   -1.154988    1.541009
     10          6           0        1.433121    0.137788    0.830448
     11          6           0       -2.438192   -1.403890    0.242616
     12          6           0       -2.617157   -2.778843    0.043274
     13          6           0       -1.518615   -3.618188    0.276183
     14          6           0       -0.318594   -3.104166    0.750901
     15          7           0        2.229604   -2.044791    1.699164
     16          6           0        3.523815   -1.635905    1.256123
     17          6           0        3.671482   -0.374948    0.635399
     18          7           0        2.607833    0.491043    0.441523
     19          6           0        4.664299   -2.447891    1.358097
     20          6           0        5.895723   -2.010646    0.886121
     21          6           0        6.061365   -0.752563    0.279225
     22          6           0        4.923068    0.043545    0.162148
     23          6           0       -2.964999    3.859961    0.531092
     24          6           0       -3.909696   -3.314417   -0.446150
     25          6           0        7.381738   -0.298035   -0.218338
     26          6           0       -3.958517   -4.385786   -1.354124
     27          6           0       -5.171260   -4.882995   -1.820509
     28          6           0       -6.378602   -4.330889   -1.373211
     29          6           0       -6.347032   -3.268975   -0.460274
     30          6           0       -5.129062   -2.765827   -0.013829
     31          6           0       -2.856947    5.118937    1.146351
     32          6           0       -3.914923    6.022449    1.135329
     33          6           0       -5.113026    5.697262    0.486641
     34          6           0       -5.233230    4.450532   -0.140423
     35          6           0       -4.176496    3.546111   -0.108255
     36          6           0        8.295124   -1.201405   -0.787784
     37          6           0        9.531645   -0.776623   -1.264154
     38          6           0        9.898487    0.571530   -1.168315
     39          6           0        9.002660    1.483501   -0.596077
     40          6           0        7.762034    1.052341   -0.136903
     41          7           0       -6.190816    6.618911    0.463935
     42          7           0       -7.617044   -4.840972   -1.838955
     43          7           0       11.161696    1.007843   -1.644984
     44          6           0       -8.021680   -6.181551   -1.792142
     45          6           0       -9.319416   -6.290599   -2.353185
     46          6           0       -9.715605   -4.958210   -2.758925
     47          6           0       -8.644533   -4.090673   -2.425911
     48          6           0       -7.503422    6.355936    0.876894
     49          6           0       -8.285377    7.525339    0.698265
     50          6           0       -7.407519    8.538645    0.151106
     51          6           0       -6.125541    7.946501    0.021359
     52          6           0       11.378032    2.036857   -2.570283
     53          6           0       12.772349    2.172597   -2.790678
     54          6           0       13.427317    1.183646   -1.960184
     55          6           0       12.405064    0.483751   -1.269903
     56          6           0      -10.859033   -4.437702   -3.375800
     57          6           0      -10.917766   -3.076043   -3.656618
     58          6           0       -9.841002   -2.233044   -3.333720
     59          6           0       -8.691682   -2.724971   -2.718964
     60          6           0       -7.357113   -7.292415   -1.265260
     61          6           0       -8.004004   -8.524679   -1.327916
     62          6           0       -9.283332   -8.653217   -1.894591
     63          6           0       -9.946367   -7.540880   -2.404070
     64          6           0       -7.596868    9.867755   -0.244516
     65          6           0       -6.520858   10.580202   -0.765179
     66          6           0       -5.260818    9.973297   -0.900781
     67          6           0       -5.044763    8.652412   -0.514253
     68          6           0       -8.045562    5.190396    1.425446
     69          6           0       -9.394088    5.204805    1.774836
     70          6           0      -10.187085    6.350051    1.590384
     71          6           0       -9.638095    7.512338    1.057320
     72          6           0       14.766908    0.845209   -1.736723
     73          6           0       15.068548   -0.169783   -0.833753
     74          6           0       14.043819   -0.843203   -0.147454
     75          6           0       12.702518   -0.526908   -0.351504
     76          6           0       10.449247    2.828927   -3.250964
     77          6           0       10.939075    3.778149   -4.145236
     78          6           0       12.318054    3.935949   -4.364793
     79          6           0       13.237452    3.134854   -3.694455
     80          8           0        0.755732   -3.508076    3.483429
     81         15           0        2.089131   -3.340401    2.878106
     82          8           0        3.308998   -3.134014    3.898977
     83          8           0        2.625802   -4.564585    1.978703
     84          6           0        3.137537   -2.372641    5.136175
     85          6           0        4.251037   -2.779077    6.079663
     86          6           0        2.627066   -5.900259    2.563715
     87          6           0        2.973796   -6.886040    1.466351
     88          1           0       -3.089667    1.175679    0.797370
     89          1           0        1.575824    2.781510    0.449509
     90          1           0       -0.300619    4.399616    0.314438
     91          1           0       -3.236451   -0.732123   -0.050606
     92          1           0       -1.605720   -4.686078    0.104830
     93          1           0        0.512953   -3.782187    0.875464
     94          1           0        4.603933   -3.428158    1.803485
     95          1           0        6.754826   -2.661922    1.012744
     96          1           0        4.955840    1.011294   -0.326336
     97          1           0       -3.033606   -4.809060   -1.733213
     98          1           0       -5.189781   -5.686088   -2.549554
     99          1           0       -7.279115   -2.857887   -0.087418
    100          1           0       -5.123694   -1.961988    0.715788
    101          1           0       -1.946512    5.377721    1.677727
    102          1           0       -3.826777    6.974835    1.647214
    103          1           0       -6.147958    4.205659   -0.669735
    104          1           0       -4.278440    2.596632   -0.624542
    105          1           0        8.018352   -2.245400   -0.897563
    106          1           0       10.209978   -1.482003   -1.732448
    107          1           0        9.292681    2.523937   -0.494357
    108          1           0        7.091939    1.769146    0.327374
    109          1           0      -11.687418   -5.090482   -3.635797
    110          1           0      -11.799862   -2.660090   -4.133440
    111          1           0       -9.901580   -1.174752   -3.569897
    112          1           0       -7.861200   -2.069044   -2.483184
    113          1           0       -6.374717   -7.200565   -0.815811
    114          1           0       -7.507037   -9.402672   -0.925901
    115          1           0       -9.758682   -9.628581   -1.929457
    116          1           0      -10.940068   -7.639293   -2.831643
    117          1           0       -8.573227   10.334435   -0.150137
    118          1           0       -6.654819   11.612221   -1.074231
    119          1           0       -4.435692   10.542675   -1.318436
    120          1           0       -4.071744    8.188847   -0.632143
    121          1           0       -7.438325    4.305853    1.581716
    122          1           0       -9.838243    4.310558    2.202031
    123          1           0      -11.235380    6.327110    1.871561
    124          1           0      -10.249249    8.400638    0.925468
    125          1           0       15.560348    1.372303   -2.258850
    126          1           0       16.103753   -0.442205   -0.652969
    127          1           0       14.299866   -1.625967    0.560543
    128          1           0       11.918367   -1.044461    0.189698
    129          1           0        9.383211    2.706881   -3.095102
    130          1           0       10.236799    4.406444   -4.685156
    131          1           0       12.666492    4.686772   -5.067206
    132          1           0       14.302730    3.250519   -3.872779
    133          1           0        3.181009   -1.310167    4.884676
    134          1           0        2.148022   -2.591583    5.543984
    135          1           0        4.166407   -2.209440    7.010454
    136          1           0        4.191455   -3.844107    6.321301
    137          1           0        5.231147   -2.575093    5.639639
    138          1           0        3.365381   -5.921431    3.372085
    139          1           0        1.637357   -6.095343    2.987102
    140          1           0        3.958270   -6.669880    1.042507
    141          1           0        2.988882   -7.901170    1.875135
    142          1           0        2.234408   -6.848578    0.661854
    143         17           0        0.732176   -0.353604    3.405117
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177657           0.0074049           0.0058236
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13524.2273648312 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.76D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000139   -0.000017    0.000009 Ang=  -0.02 deg.
 ExpMin= 9.98D-02 ExpMax= 2.52D+04 ExpMxC= 3.78D+03 IAcc=2 IRadAn=         4 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       4 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         4 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Integral accuracy reduced to 1.0D-05 until final iterations.
 Initial convergence to 1.0D-05 achieved.  Increase integral accuracy.
 SCF Done:  E(RB3LYP) =  -4306.68069861     A.U. after    9 cycles
            NFock=  9  Conv=0.50D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000017536    0.000006516   -0.000000459
      2        6           0.000002409    0.000001143   -0.000009093
      3        6           0.000003580   -0.000011793    0.000006609
      4        6           0.000036471   -0.000010941    0.000024750
      5        6          -0.000010893    0.000005554   -0.000014456
      6        6           0.000007554    0.000002446   -0.000008634
      7        6          -0.000017933    0.000010780   -0.000004950
      8        6           0.000000423   -0.000038760   -0.000026955
      9        6          -0.000109352    0.000061174    0.000003623
     10        6          -0.000018528    0.000031418   -0.000022060
     11        6          -0.000004560    0.000002853    0.000019495
     12        6           0.000020967    0.000001271    0.000004435
     13        6          -0.000014670   -0.000004300   -0.000002115
     14        6           0.000001425    0.000011821    0.000008667
     15        7           0.000143769   -0.000072550   -0.000022242
     16        6          -0.000016948   -0.000006255    0.000010489
     17        6           0.000013235    0.000019242    0.000006001
     18        7          -0.000007659   -0.000001902    0.000016062
     19        6          -0.000008826   -0.000003163   -0.000009566
     20        6           0.000003261    0.000006210    0.000001172
     21        6           0.000011290   -0.000004013    0.000002497
     22        6          -0.000012018   -0.000000580   -0.000000424
     23        6           0.000017463   -0.000009083   -0.000000024
     24        6          -0.000010213   -0.000008926   -0.000005938
     25        6          -0.000005585   -0.000007302   -0.000000023
     26        6           0.000005707    0.000003460    0.000007632
     27        6          -0.000014884    0.000008328   -0.000014364
     28        6           0.000030659    0.000018838    0.000010915
     29        6          -0.000000914   -0.000017737    0.000008874
     30        6           0.000002494    0.000005588    0.000001269
     31        6          -0.000004604   -0.000003400    0.000008575
     32        6          -0.000000258    0.000002296   -0.000001538
     33        6          -0.000002747    0.000002355    0.000002682
     34        6          -0.000001080   -0.000002103    0.000001870
     35        6          -0.000002138    0.000003680   -0.000009881
     36        6          -0.000003116    0.000000537   -0.000000002
     37        6           0.000002512    0.000003564    0.000000335
     38        6           0.000004613   -0.000001436   -0.000003561
     39        6          -0.000001865    0.000001120    0.000000250
     40        6           0.000002816    0.000001957    0.000002277
     41        7          -0.000000834   -0.000001566   -0.000004027
     42        7          -0.000043013   -0.000031689   -0.000017457
     43        7           0.000002021    0.000003523    0.000003217
     44        6          -0.000009397    0.000024335    0.000031597
     45        6          -0.000006597   -0.000004032    0.000002601
     46        6          -0.000002534   -0.000003533   -0.000007399
     47        6           0.000037851   -0.000002789   -0.000019426
     48        6           0.000007152    0.000003042   -0.000002053
     49        6          -0.000004839   -0.000005493   -0.000000563
     50        6           0.000000733    0.000005958   -0.000000291
     51        6           0.000001010   -0.000004722    0.000003651
     52        6           0.000000709   -0.000007554    0.000001656
     53        6          -0.000002282    0.000004912   -0.000002072
     54        6           0.000006078   -0.000004057   -0.000000084
     55        6          -0.000009707    0.000001376   -0.000002516
     56        6          -0.000000994    0.000004401   -0.000000022
     57        6          -0.000003570   -0.000004689    0.000001926
     58        6           0.000003492    0.000001321    0.000000355
     59        6          -0.000004167    0.000002459    0.000006206
     60        6           0.000005335   -0.000002018   -0.000005405
     61        6           0.000001891    0.000002803    0.000002323
     62        6          -0.000003610   -0.000000357   -0.000005570
     63        6           0.000003780   -0.000002632    0.000001170
     64        6           0.000001255    0.000000086   -0.000001380
     65        6          -0.000003089    0.000000866    0.000002052
     66        6          -0.000000298   -0.000001367   -0.000001269
     67        6           0.000000552    0.000002544    0.000001515
     68        6          -0.000001897   -0.000002402   -0.000000350
     69        6           0.000000960    0.000001072    0.000001229
     70        6          -0.000003066    0.000001883   -0.000002325
     71        6           0.000000983   -0.000000497    0.000003410
     72        6          -0.000000836    0.000000432    0.000003306
     73        6           0.000002312    0.000001632   -0.000003422
     74        6          -0.000001429    0.000001211    0.000000794
     75        6           0.000002042   -0.000002087    0.000000776
     76        6          -0.000001594    0.000003478    0.000001170
     77        6          -0.000000059   -0.000001913   -0.000000379
     78        6           0.000003071    0.000002684    0.000001422
     79        6          -0.000001428   -0.000001031   -0.000001896
     80        8           0.000006672   -0.000008562    0.000004077
     81       15          -0.000012234    0.000037585    0.000026345
     82        8          -0.000014425    0.000009921    0.000018514
     83        8           0.000000020   -0.000009333   -0.000012717
     84        6           0.000024527   -0.000018513   -0.000015442
     85        6          -0.000001514    0.000001187   -0.000000110
     86        6           0.000003452    0.000005861    0.000003904
     87        6           0.000004722    0.000000677    0.000000137
     88        1          -0.000002543    0.000007267   -0.000000305
     89        1           0.000001098   -0.000002147    0.000004504
     90        1          -0.000002387    0.000000179    0.000001014
     91        1          -0.000000652   -0.000007166    0.000000894
     92        1           0.000000496    0.000002329   -0.000004335
     93        1           0.000000671    0.000005503   -0.000003799
     94        1          -0.000005185   -0.000007420    0.000000352
     95        1           0.000000096    0.000000789   -0.000002553
     96        1           0.000002941   -0.000000396    0.000000191
     97        1          -0.000001071    0.000001150   -0.000001763
     98        1           0.000000136   -0.000001983    0.000001956
     99        1          -0.000000500    0.000001252   -0.000002251
    100        1           0.000000200   -0.000001239    0.000000244
    101        1           0.000002650   -0.000000130   -0.000002244
    102        1           0.000001129   -0.000001374    0.000000359
    103        1           0.000002162    0.000000878   -0.000001107
    104        1           0.000002070   -0.000000863    0.000001589
    105        1          -0.000000399    0.000000166   -0.000000171
    106        1          -0.000001993   -0.000000655   -0.000000070
    107        1          -0.000000947   -0.000001320    0.000000865
    108        1          -0.000000392   -0.000000504   -0.000000218
    109        1          -0.000000065   -0.000001020    0.000000962
    110        1           0.000001235    0.000001015   -0.000001972
    111        1          -0.000001092    0.000000203    0.000000853
    112        1           0.000000628   -0.000000480    0.000000767
    113        1           0.000000184    0.000001085   -0.000000076
    114        1           0.000000691   -0.000000677   -0.000000998
    115        1           0.000000046   -0.000000300    0.000002555
    116        1          -0.000000308    0.000000672   -0.000000859
    117        1          -0.000000440   -0.000001347    0.000000661
    118        1           0.000000812   -0.000000235   -0.000001064
    119        1           0.000000749    0.000000194    0.000000902
    120        1          -0.000000843    0.000001305   -0.000002387
    121        1          -0.000002147   -0.000000675    0.000001735
    122        1           0.000000336   -0.000000813   -0.000000740
    123        1           0.000000830   -0.000000599    0.000001488
    124        1           0.000000689    0.000000759   -0.000001709
    125        1          -0.000000862    0.000000244   -0.000001616
    126        1          -0.000000447    0.000000044    0.000001612
    127        1          -0.000000020   -0.000000947   -0.000000389
    128        1           0.000001772    0.000000607    0.000000825
    129        1           0.000000475    0.000000657   -0.000002622
    130        1          -0.000000796    0.000000510    0.000000633
    131        1          -0.000000902   -0.000000709   -0.000001270
    132        1           0.000000717   -0.000000308    0.000001273
    133        1          -0.000006073    0.000003443   -0.000005054
    134        1          -0.000006752    0.000002067    0.000004788
    135        1          -0.000001346   -0.000000034   -0.000001151
    136        1           0.000001263   -0.000000295    0.000000469
    137        1          -0.000000164   -0.000000420   -0.000000552
    138        1          -0.000002559   -0.000001216    0.000002542
    139        1          -0.000000744   -0.000001253   -0.000002764
    140        1           0.000000211   -0.000000658    0.000000119
    141        1          -0.000000696   -0.000000273   -0.000000213
    142        1          -0.000000434    0.000000932    0.000000145
    143       17           0.000006944   -0.000008111    0.000000589
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000143769 RMS     0.000012732

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000096848 RMS     0.000005560
 Search for a local minimum.
 Step number  41 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   20   21   22   23   24
                                                     25   26   27   28   29
                                                     30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41
 DE= -7.76D-07 DEPred=-3.74D-07 R= 2.08D+00
 Trust test= 2.08D+00 RLast= 2.65D-02 DXMaxT set to 6.22D-01
 ITU=  0  1  1  1  0  1  0  0  0  0  0  0  1  0  1 -1  1  1  1  1
 ITU=  1  1 -1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  0  1
 ITU=  0
     Eigenvalues ---    0.00024   0.00134   0.00232   0.00411   0.00419
     Eigenvalues ---    0.00480   0.00706   0.00785   0.00822   0.01591
     Eigenvalues ---    0.01733   0.02085   0.02353   0.02583   0.02614
     Eigenvalues ---    0.02634   0.02679   0.02704   0.02708   0.02709
     Eigenvalues ---    0.02714   0.02725   0.02726   0.02729   0.02732
     Eigenvalues ---    0.02740   0.02748   0.02756   0.02767   0.02771
     Eigenvalues ---    0.02774   0.02775   0.02776   0.02779   0.02784
     Eigenvalues ---    0.02785   0.02787   0.02789   0.02790   0.02791
     Eigenvalues ---    0.02791   0.02792   0.02792   0.02793   0.02794
     Eigenvalues ---    0.02795   0.02799   0.02801   0.02802   0.02803
     Eigenvalues ---    0.02804   0.02804   0.02807   0.02808   0.02808
     Eigenvalues ---    0.02808   0.02809   0.02811   0.02813   0.02816
     Eigenvalues ---    0.02817   0.02817   0.02818   0.02818   0.02819
     Eigenvalues ---    0.02819   0.02820   0.02829   0.02829   0.02841
     Eigenvalues ---    0.02844   0.02844   0.02845   0.02845   0.02846
     Eigenvalues ---    0.02847   0.02850   0.02853   0.02862   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02870   0.02872   0.02873
     Eigenvalues ---    0.02874   0.02876   0.02877   0.02878   0.02878
     Eigenvalues ---    0.02879   0.02881   0.02883   0.02884   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02886   0.02886
     Eigenvalues ---    0.02887   0.02891   0.02892   0.02894   0.02896
     Eigenvalues ---    0.02897   0.02898   0.02899   0.02899   0.02899
     Eigenvalues ---    0.02903   0.02908   0.02909   0.02910   0.02934
     Eigenvalues ---    0.02942   0.02948   0.03000   0.03024   0.03025
     Eigenvalues ---    0.03028   0.03094   0.03122   0.03132   0.03134
     Eigenvalues ---    0.03135   0.03151   0.03166   0.03296   0.03395
     Eigenvalues ---    0.03905   0.04035   0.04666   0.05372   0.05563
     Eigenvalues ---    0.05579   0.05620   0.05726   0.05746   0.05995
     Eigenvalues ---    0.07515   0.08547   0.09409   0.10515   0.10994
     Eigenvalues ---    0.11430   0.11773   0.12594   0.13650   0.15214
     Eigenvalues ---    0.15616   0.15818   0.15866   0.15920   0.15950
     Eigenvalues ---    0.15961   0.15973   0.15986   0.15986   0.15987
     Eigenvalues ---    0.15988   0.15990   0.15995   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15998   0.15998
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16003   0.16004
     Eigenvalues ---    0.16011   0.16012   0.16025   0.16095   0.16109
     Eigenvalues ---    0.16293   0.16772   0.17312   0.18751   0.19819
     Eigenvalues ---    0.20927   0.21981   0.21999   0.21999   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22000   0.22002   0.22004
     Eigenvalues ---    0.22005   0.22356   0.22412   0.22505   0.22599
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22604   0.22694
     Eigenvalues ---    0.22945   0.22965   0.22996   0.23148   0.23242
     Eigenvalues ---    0.23414   0.23514   0.23696   0.23970   0.23998
     Eigenvalues ---    0.24190   0.24442   0.24486   0.24487   0.24489
     Eigenvalues ---    0.24491   0.24534   0.24742   0.24904   0.24977
     Eigenvalues ---    0.24982   0.24984   0.24985   0.24986   0.24988
     Eigenvalues ---    0.24991   0.24994   0.24997   0.25000   0.25000
     Eigenvalues ---    0.25002   0.25003   0.25015   0.25017   0.25045
     Eigenvalues ---    0.25076   0.25115   0.25430   0.26275   0.27864
     Eigenvalues ---    0.28195   0.28821   0.29787   0.29798   0.30200
     Eigenvalues ---    0.32017   0.32099   0.32129   0.32142   0.32148
     Eigenvalues ---    0.32173   0.32192   0.32220   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33297   0.33319
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33457   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33634   0.33639
     Eigenvalues ---    0.33639   0.33643   0.33649   0.33664   0.33701
     Eigenvalues ---    0.33723   0.33745   0.33819   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33921   0.33940
     Eigenvalues ---    0.33947   0.33955   0.33961   0.34447   0.34494
     Eigenvalues ---    0.34876   0.34921   0.35035   0.37733   0.40783
     Eigenvalues ---    0.41582   0.41734   0.44430   0.44433   0.44439
     Eigenvalues ---    0.44461   0.45485   0.46200   0.48723   0.48846
     Eigenvalues ---    0.48941   0.48975   0.49157   0.49361   0.49736
     Eigenvalues ---    0.49798   0.49814   0.49845   0.49886   0.49946
     Eigenvalues ---    0.50014   0.50201   0.50350   0.50408   0.50431
     Eigenvalues ---    0.50610   0.50614   0.50616   0.50963   0.51621
     Eigenvalues ---    0.51993   0.52432   0.52687   0.52807   0.53359
     Eigenvalues ---    0.54051   0.54112   0.54199   0.54200   0.54206
     Eigenvalues ---    0.54217   0.54419   0.54936   0.55123   0.55305
     Eigenvalues ---    0.55329   0.55340   0.55355   0.55395   0.55418
     Eigenvalues ---    0.55428   0.55439   0.55508   0.55597   0.55680
     Eigenvalues ---    0.55706   0.55721   0.55770   0.55939   0.55948
     Eigenvalues ---    0.56014   0.56147   0.56152   0.56153   0.56226
     Eigenvalues ---    0.56269   0.56307   0.56374   0.56631   0.56662
     Eigenvalues ---    0.56664   0.56670   0.56672   0.56682   0.56844
     Eigenvalues ---    0.56899   0.56914   0.57049   0.57136   0.57173
     Eigenvalues ---    0.57180   0.57190   0.57195   0.57209   0.57596
     Eigenvalues ---    0.61582   0.61945   0.65921   0.66053   0.67647
     Eigenvalues ---    0.67657   0.67659   0.68852   0.69974   0.70071
     Eigenvalues ---    0.72146   0.74936   0.80041
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    41   40   39   38   37   36   35   34   33   32
 RFO step:  Lambda=-3.98610380D-07.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 RFO-DIIS uses    4 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.35800    0.03003   -0.92627    0.53823    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00292402 RMS(Int)=  0.00000557
 Iteration  2 RMS(Cart)=  0.00000216 RMS(Int)=  0.00000551
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000551
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64729  -0.00000  -0.00004   0.00000  -0.00004   2.64725
    R2        2.66040   0.00000   0.00001  -0.00001   0.00001   2.66041
    R3        2.80243  -0.00002   0.00001  -0.00003  -0.00002   2.80241
    R4        2.64586   0.00001   0.00006   0.00000   0.00006   2.64592
    R5        2.04883  -0.00000  -0.00001  -0.00000  -0.00001   2.04882
    R6        2.66484   0.00002   0.00001   0.00003   0.00004   2.66488
    R7        2.79046   0.00000   0.00000   0.00001   0.00001   2.79048
    R8        2.64655   0.00001   0.00003   0.00001   0.00004   2.64659
    R9        2.78163  -0.00003  -0.00007  -0.00002  -0.00009   2.78154
   R10        2.62032  -0.00000  -0.00003  -0.00000  -0.00004   2.62028
   R11        2.04844  -0.00000  -0.00000   0.00000  -0.00000   2.04844
   R12        2.05096   0.00000  -0.00000   0.00000   0.00000   2.05097
   R13        2.67856   0.00001   0.00001   0.00001   0.00002   2.67858
   R14        2.64443  -0.00000   0.00005  -0.00001   0.00004   2.64446
   R15        2.84432   0.00003   0.00002   0.00000   0.00003   2.84435
   R16        2.64387  -0.00001   0.00002  -0.00003  -0.00001   2.64385
   R17        2.84978   0.00001   0.00017  -0.00002   0.00014   2.84993
   R18        2.70429   0.00010   0.00038   0.00008   0.00045   2.70474
   R19        3.90381  -0.00002  -0.00030  -0.00008  -0.00039   3.90342
   R20        2.43181   0.00000  -0.00001  -0.00000  -0.00002   2.43179
   R21        2.64714   0.00000  -0.00005   0.00002  -0.00003   2.64711
   R22        2.04795  -0.00000  -0.00001  -0.00001  -0.00002   2.04794
   R23        2.64935  -0.00001   0.00003  -0.00002   0.00000   2.64936
   R24        2.80102   0.00001   0.00005   0.00001   0.00005   2.80108
   R25        2.62504   0.00001  -0.00004   0.00002  -0.00002   2.62502
   R26        2.05045  -0.00000  -0.00001   0.00000  -0.00001   2.05045
   R27        2.04116  -0.00000  -0.00001   0.00001  -0.00000   2.04116
   R28        2.69805  -0.00003  -0.00013   0.00001  -0.00012   2.69792
   R29        3.32089  -0.00000  -0.00002  -0.00002  -0.00005   3.32084
   R30        5.34919   0.00002   0.00026  -0.00007   0.00019   5.34938
   R31        2.67055   0.00001   0.00004  -0.00000   0.00003   2.67058
   R32        2.65264  -0.00001   0.00002  -0.00002   0.00000   2.65265
   R33        2.61772   0.00002  -0.00014   0.00004  -0.00011   2.61761
   R34        2.64937  -0.00000   0.00005  -0.00002   0.00003   2.64940
   R35        2.62553   0.00000  -0.00002   0.00001  -0.00001   2.62552
   R36        2.03787   0.00001   0.00002   0.00000   0.00002   2.03789
   R37        2.65809  -0.00000   0.00002  -0.00001   0.00001   2.65810
   R38        2.05125  -0.00000   0.00000  -0.00000   0.00000   2.05125
   R39        2.63426   0.00001  -0.00003   0.00002  -0.00001   2.63425
   R40        2.80136  -0.00001   0.00002  -0.00001   0.00000   2.80136
   R41        2.04949  -0.00000   0.00000  -0.00000   0.00000   2.04949
   R42        2.65588   0.00000  -0.00001  -0.00000  -0.00001   2.65587
   R43        2.65572   0.00000  -0.00001   0.00000  -0.00001   2.65571
   R44        2.65547  -0.00000  -0.00000  -0.00000  -0.00001   2.65547
   R45        2.65552   0.00000  -0.00001   0.00000  -0.00000   2.65552
   R46        2.65547  -0.00000  -0.00001  -0.00000  -0.00001   2.65545
   R47        2.65557   0.00000  -0.00001   0.00000  -0.00001   2.65556
   R48        2.62901   0.00001   0.00001   0.00001   0.00002   2.62903
   R49        2.05131  -0.00000  -0.00001   0.00000  -0.00000   2.05131
   R50        2.64735  -0.00001  -0.00001  -0.00001  -0.00003   2.64732
   R51        2.04999  -0.00000   0.00000   0.00000   0.00000   2.04999
   R52        2.64704  -0.00000  -0.00001  -0.00001  -0.00002   2.64702
   R53        2.67971   0.00003   0.00002   0.00004   0.00006   2.67977
   R54        2.62931   0.00000   0.00001   0.00000   0.00001   2.62933
   R55        2.04998  -0.00000   0.00000  -0.00000   0.00000   2.04998
   R56        2.05149  -0.00000  -0.00000  -0.00000  -0.00000   2.05148
   R57        2.62921   0.00000  -0.00000   0.00000  -0.00000   2.62921
   R58        2.05122   0.00000   0.00000   0.00000   0.00001   2.05123
   R59        2.64696   0.00000   0.00001   0.00000   0.00001   2.64697
   R60        2.05001  -0.00000  -0.00000  -0.00000  -0.00001   2.05001
   R61        2.64696   0.00000   0.00000   0.00000   0.00001   2.64697
   R62        2.68021   0.00000  -0.00002  -0.00000  -0.00002   2.68019
   R63        2.62916   0.00000   0.00001  -0.00000   0.00001   2.62917
   R64        2.05004  -0.00000  -0.00000  -0.00000  -0.00001   2.05003
   R65        2.05142   0.00000   0.00000   0.00000   0.00000   2.05143
   R66        2.62961   0.00000   0.00001   0.00000   0.00001   2.62962
   R67        2.05153  -0.00000   0.00000  -0.00000   0.00000   2.05154
   R68        2.64648  -0.00000   0.00001  -0.00000   0.00000   2.64648
   R69        2.05015  -0.00000  -0.00000  -0.00000  -0.00000   2.05015
   R70        2.64673   0.00000   0.00001   0.00000   0.00001   2.64674
   R71        2.68133   0.00000  -0.00002   0.00000  -0.00002   2.68131
   R72        2.62930  -0.00000   0.00000  -0.00000   0.00000   2.62930
   R73        2.05013  -0.00000  -0.00000  -0.00000  -0.00000   2.05012
   R74        2.05137  -0.00000   0.00000   0.00000   0.00000   2.05137
   R75        2.64739   0.00000   0.00001  -0.00000   0.00001   2.64740
   R76        2.64739   0.00000   0.00002  -0.00000   0.00002   2.64741
   R77        2.64769  -0.00002  -0.00003  -0.00003  -0.00006   2.64763
   R78        2.64777  -0.00002  -0.00004  -0.00003  -0.00007   2.64771
   R79        2.64687   0.00000   0.00001  -0.00001   0.00001   2.64687
   R80        2.64651  -0.00000   0.00001  -0.00001   0.00000   2.64651
   R81        2.67967   0.00000   0.00001   0.00001   0.00001   2.67968
   R82        2.64107   0.00000  -0.00000  -0.00000  -0.00000   2.64107
   R83        2.73642   0.00000  -0.00000   0.00001   0.00001   2.73643
   R84        2.64485   0.00000   0.00000   0.00000   0.00000   2.64485
   R85        2.67963   0.00000   0.00001   0.00001   0.00002   2.67964
   R86        2.64487   0.00000   0.00000   0.00000   0.00000   2.64487
   R87        2.64105   0.00000   0.00000  -0.00000  -0.00000   2.64105
   R88        2.67973   0.00000  -0.00000   0.00000   0.00000   2.67973
   R89        2.64110   0.00000   0.00001   0.00000   0.00001   2.64111
   R90        2.73639   0.00000  -0.00001   0.00000  -0.00001   2.73638
   R91        2.64490  -0.00000  -0.00000  -0.00000  -0.00000   2.64489
   R92        2.67977   0.00000  -0.00000   0.00000  -0.00000   2.67977
   R93        2.64488  -0.00000  -0.00000  -0.00000  -0.00000   2.64487
   R94        2.64107   0.00000   0.00001   0.00000   0.00001   2.64108
   R95        2.67989   0.00000  -0.00000   0.00000  -0.00000   2.67989
   R96        2.64112   0.00000   0.00001   0.00000   0.00001   2.64113
   R97        2.73634   0.00000  -0.00001   0.00000  -0.00001   2.73633
   R98        2.64499  -0.00000  -0.00000  -0.00000  -0.00000   2.64499
   R99        2.68004   0.00000  -0.00000   0.00000  -0.00000   2.68004
   R100       2.64493  -0.00000  -0.00000  -0.00000  -0.00000   2.64492
   R101       2.64114   0.00000   0.00001   0.00000   0.00001   2.64114
   R102       2.62966  -0.00000  -0.00000  -0.00000  -0.00000   2.62965
   R103       2.05272   0.00000   0.00000   0.00000   0.00000   2.05272
   R104       2.65527   0.00000   0.00001   0.00000   0.00001   2.65528
   R105       2.05144   0.00000   0.00000  -0.00000  -0.00000   2.05144
   R106       2.63266  -0.00000  -0.00000  -0.00000  -0.00000   2.63266
   R107       2.05227   0.00000   0.00000   0.00000   0.00000   2.05228
   R108       2.04888   0.00000   0.00000   0.00000   0.00001   2.04889
   R109       2.63267  -0.00000  -0.00000  -0.00000  -0.00000   2.63267
   R110       2.04889   0.00000   0.00000   0.00000   0.00001   2.04889
   R111       2.65526   0.00000   0.00001   0.00000   0.00001   2.65528
   R112       2.05230   0.00000   0.00000   0.00000   0.00000   2.05230
   R113       2.62969  -0.00000  -0.00000  -0.00000  -0.00000   2.62969
   R114       2.05147  -0.00000  -0.00000  -0.00000  -0.00000   2.05147
   R115       2.05272   0.00000   0.00000  -0.00000   0.00000   2.05272
   R116       2.62969  -0.00000  -0.00001  -0.00000  -0.00001   2.62968
   R117       2.05275   0.00000   0.00000  -0.00000   0.00000   2.05275
   R118       2.65533   0.00000   0.00000  -0.00000   0.00000   2.65533
   R119       2.05148  -0.00000  -0.00000  -0.00000  -0.00000   2.05148
   R120       2.63264   0.00000  -0.00000  -0.00000  -0.00000   2.63264
   R121       2.05230   0.00000   0.00000  -0.00000   0.00000   2.05230
   R122       2.04890  -0.00000  -0.00000  -0.00000  -0.00000   2.04890
   R123       2.63263   0.00000  -0.00000  -0.00000  -0.00000   2.63263
   R124       2.04891  -0.00000  -0.00000  -0.00000  -0.00000   2.04891
   R125       2.65536   0.00000   0.00000  -0.00000   0.00000   2.65536
   R126       2.05229   0.00000   0.00000  -0.00000   0.00000   2.05229
   R127       2.62968  -0.00000  -0.00001  -0.00000  -0.00001   2.62967
   R128       2.05147  -0.00000  -0.00000  -0.00000  -0.00000   2.05147
   R129       2.05274   0.00000   0.00000  -0.00000   0.00000   2.05274
   R130       2.62974  -0.00000  -0.00001  -0.00000  -0.00001   2.62973
   R131       2.05276   0.00000   0.00000   0.00000   0.00000   2.05276
   R132       2.65543   0.00000   0.00000   0.00000   0.00000   2.65543
   R133       2.05150  -0.00000  -0.00000  -0.00000  -0.00000   2.05150
   R134       2.63261   0.00000   0.00000  -0.00000  -0.00000   2.63260
   R135       2.05237   0.00000   0.00000  -0.00000   0.00000   2.05237
   R136       2.04898  -0.00000  -0.00000  -0.00000  -0.00000   2.04898
   R137       2.63254  -0.00000  -0.00000  -0.00000  -0.00000   2.63254
   R138       2.04896  -0.00000  -0.00000  -0.00000  -0.00000   2.04895
   R139       2.65551   0.00000   0.00000   0.00000   0.00000   2.65552
   R140       2.05230   0.00000   0.00000  -0.00000   0.00000   2.05230
   R141       2.62964  -0.00000  -0.00001  -0.00000  -0.00001   2.62963
   R142       2.05149  -0.00000  -0.00000   0.00000  -0.00000   2.05149
   R143       2.05276   0.00000   0.00000   0.00000   0.00000   2.05276
   R144       2.78533  -0.00000   0.00001   0.00000   0.00001   2.78534
   R145       3.03114  -0.00001  -0.00002   0.00001  -0.00001   3.03113
   R146       3.04449   0.00001   0.00006   0.00002   0.00008   3.04457
   R147       2.76427  -0.00003   0.00021  -0.00010   0.00011   2.76438
   R148       2.75555  -0.00000   0.00000  -0.00000  -0.00000   2.75554
   R149       2.86295  -0.00000  -0.00004   0.00001  -0.00004   2.86291
   R150       2.06490   0.00000  -0.00003   0.00003  -0.00003   2.06488
   R151       2.06438   0.00001  -0.00003   0.00003  -0.00002   2.06436
   R152       2.06838  -0.00000   0.00001  -0.00000   0.00000   2.06839
   R153       2.06683   0.00000  -0.00000   0.00000   0.00000   2.06683
   R154       2.06651  -0.00000  -0.00000  -0.00000  -0.00001   2.06650
   R155       2.86354   0.00000   0.00000   0.00000   0.00001   2.86355
   R156       2.06924   0.00000  -0.00000   0.00000  -0.00000   2.06924
   R157       2.06736   0.00000   0.00000  -0.00000   0.00000   2.06736
   R158       2.06626  -0.00000   0.00000  -0.00000  -0.00000   2.06626
   R159       2.06821   0.00000  -0.00000   0.00000  -0.00000   2.06821
   R160       2.06605   0.00000   0.00000   0.00000   0.00000   2.06605
   R161       5.70087  -0.00000  -0.00026  -0.00047  -0.00075   5.70012
   R162       6.43282   0.00000   0.00266  -0.00011   0.00259   6.43541
    A1        2.06404   0.00000   0.00003  -0.00000   0.00003   2.06407
    A2        2.10902  -0.00000  -0.00002  -0.00001  -0.00002   2.10900
    A3        2.11012   0.00000  -0.00001   0.00001  -0.00000   2.11012
    A4        2.12738   0.00001   0.00003   0.00002   0.00005   2.12743
    A5        2.07080  -0.00001  -0.00008  -0.00004  -0.00012   2.07068
    A6        2.08427   0.00001   0.00005   0.00002   0.00007   2.08434
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   A244       2.03106  -0.00000  -0.00009  -0.00002  -0.00011   2.03094
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   A246       2.11312   0.00000  -0.00020   0.00007  -0.00011   2.11301
   A247       2.06274  -0.00001  -0.00008  -0.00001  -0.00009   2.06265
   A248       1.87647   0.00000  -0.00002   0.00003  -0.00002   1.87645
   A249       1.88259  -0.00000  -0.00010   0.00002  -0.00003   1.88256
   A250       1.89399   0.00000  -0.00007   0.00000  -0.00007   1.89392
   A251       1.95514   0.00000   0.00004   0.00001   0.00005   1.95518
   A252       1.96005   0.00000   0.00011  -0.00003   0.00011   1.96016
   A253       1.89319  -0.00000   0.00002  -0.00003  -0.00005   1.89314
   A254       1.91043  -0.00000  -0.00004   0.00001  -0.00003   1.91041
   A255       1.93776   0.00000   0.00003   0.00000   0.00003   1.93779
   A256       1.93704  -0.00000   0.00001  -0.00002  -0.00001   1.93703
   A257       1.89093   0.00000  -0.00001   0.00000  -0.00001   1.89092
   A258       1.89062   0.00000   0.00000   0.00001   0.00001   1.89063
   A259       1.89586  -0.00000   0.00001  -0.00001   0.00000   1.89586
   A260       1.88132  -0.00000  -0.00002   0.00001  -0.00001   1.88130
   A261       1.89070   0.00000   0.00007   0.00000   0.00007   1.89077
   A262       1.89423  -0.00000  -0.00005   0.00001  -0.00004   1.89419
   A263       1.94739  -0.00000   0.00001  -0.00001   0.00000   1.94739
   A264       1.95116   0.00000   0.00000  -0.00001  -0.00001   1.95116
   A265       1.89740  -0.00000  -0.00000  -0.00000  -0.00001   1.89740
   A266       1.93706   0.00000   0.00002   0.00000   0.00002   1.93708
   A267       1.91353   0.00000   0.00001   0.00000   0.00001   1.91354
   A268       1.93461  -0.00000  -0.00003  -0.00000  -0.00003   1.93459
   A269       1.89203  -0.00000   0.00000  -0.00000   0.00000   1.89203
   A270       1.89325   0.00000  -0.00000   0.00000  -0.00000   1.89325
   A271       1.89225   0.00000  -0.00000  -0.00000  -0.00000   1.89225
   A272       1.97023   0.00000   0.00084   0.00010   0.00094   1.97117
   A273       1.58122   0.00000  -0.00076  -0.00009  -0.00087   1.58035
   A274       1.73873   0.00002   0.00021  -0.00002   0.00020   1.73893
   A275       1.80683   0.00002  -0.00014   0.00014   0.00001   1.80683
   A276       1.24160  -0.00000   0.00016  -0.00003   0.00015   1.24175
   A277       1.33446  -0.00000  -0.00017   0.00007  -0.00009   1.33437
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    D2        3.11099   0.00000  -0.00003   0.00000  -0.00003   3.11096
    D3       -3.13076  -0.00000  -0.00002   0.00001  -0.00001  -3.13077
    D4       -0.03052   0.00000  -0.00002   0.00001  -0.00001  -0.03054
    D5       -0.03094   0.00000   0.00010   0.00001   0.00011  -0.03083
    D6        3.10434   0.00000   0.00010   0.00001   0.00010   3.10444
    D7        3.11057   0.00000   0.00009   0.00001   0.00010   3.11067
    D8       -0.03733   0.00000   0.00009   0.00000   0.00009  -0.03724
    D9        2.49542  -0.00001  -0.00042  -0.00023  -0.00064   2.49478
   D10       -0.64697  -0.00001  -0.00042  -0.00022  -0.00064  -0.64761
   D11       -0.64609  -0.00001  -0.00041  -0.00022  -0.00063  -0.64672
   D12        2.49471  -0.00001  -0.00041  -0.00022  -0.00063   2.49408
   D13        0.03396  -0.00000  -0.00008  -0.00002  -0.00010   0.03386
   D14       -3.02162   0.00000  -0.00011   0.00005  -0.00006  -3.02168
   D15       -3.06596  -0.00000  -0.00008  -0.00001  -0.00009  -3.06606
   D16        0.16164   0.00000  -0.00011   0.00005  -0.00005   0.16159
   D17       -0.05907   0.00000   0.00012   0.00001   0.00014  -0.05893
   D18        3.04866   0.00001   0.00045   0.00011   0.00057   3.04923
   D19        3.00070  -0.00000   0.00014  -0.00005   0.00009   3.00079
   D20       -0.17476   0.00000   0.00047   0.00005   0.00052  -0.17424
   D21       -2.91322  -0.00002  -0.00048  -0.00034  -0.00081  -2.91403
   D22        0.35824  -0.00001  -0.00069  -0.00031  -0.00100   0.35723
   D23        0.31395  -0.00001  -0.00050  -0.00027  -0.00077   0.31318
   D24       -2.69778  -0.00001  -0.00071  -0.00024  -0.00095  -2.69874
   D25        0.04007  -0.00000  -0.00005   0.00000  -0.00005   0.04002
   D26       -3.11511  -0.00000  -0.00005  -0.00001  -0.00006  -3.11517
   D27       -3.06764  -0.00000  -0.00039  -0.00010  -0.00049  -3.06812
   D28        0.06037  -0.00001  -0.00038  -0.00011  -0.00050   0.05987
   D29       -0.38877   0.00001  -0.00008   0.00016   0.00008  -0.38869
   D30        2.82511   0.00001  -0.00013   0.00020   0.00007   2.82518
   D31        2.71885   0.00001   0.00025   0.00027   0.00051   2.71936
   D32       -0.35046   0.00001   0.00020   0.00031   0.00051  -0.34995
   D33        0.00573  -0.00000  -0.00006  -0.00002  -0.00007   0.00566
   D34       -3.12956  -0.00000  -0.00006  -0.00001  -0.00007  -3.12962
   D35       -3.12192   0.00000  -0.00006   0.00000  -0.00006  -3.12199
   D36        0.02598   0.00000  -0.00006   0.00001  -0.00005   0.02592
   D37        0.12944   0.00001   0.00015   0.00025   0.00040   0.12984
   D38       -2.91652   0.00001  -0.00022   0.00018  -0.00005  -2.91657
   D39       -3.13975   0.00001   0.00036   0.00023   0.00060  -3.13916
   D40        0.09747   0.00001  -0.00001   0.00016   0.00015   0.09762
   D41        2.98627  -0.00001   0.00014  -0.00012   0.00002   2.98629
   D42       -0.07286  -0.00001   0.00007  -0.00008  -0.00001  -0.07286
   D43       -0.02684  -0.00000  -0.00008  -0.00009  -0.00018  -0.02702
   D44       -3.08597  -0.00000  -0.00014  -0.00006  -0.00020  -3.08617
   D45       -0.65895  -0.00000   0.00021  -0.00005   0.00016  -0.65879
   D46       -3.01229  -0.00001   0.00025  -0.00005   0.00020  -3.01208
   D47        1.17882   0.00001   0.00010   0.00004   0.00014   1.17896
   D48        2.38285   0.00000   0.00060   0.00003   0.00063   2.38348
   D49        0.02951  -0.00000   0.00063   0.00004   0.00067   0.03019
   D50       -2.06256   0.00002   0.00049   0.00012   0.00061  -2.06196
   D51       -0.09429  -0.00001   0.00010  -0.00011  -0.00000  -0.09429
   D52        3.01979  -0.00000   0.00010  -0.00009   0.00001   3.01980
   D53       -3.13622  -0.00001  -0.00028  -0.00019  -0.00046  -3.13668
   D54       -0.02214  -0.00001  -0.00028  -0.00017  -0.00045  -0.02259
   D55        0.78182  -0.00000  -0.00023  -0.00016  -0.00039   0.78143
   D56       -2.43620  -0.00001  -0.00018  -0.00021  -0.00039  -2.43658
   D57       -3.12909   0.00000  -0.00024  -0.00021  -0.00045  -3.12954
   D58       -0.06393   0.00000  -0.00019  -0.00025  -0.00044  -0.06437
   D59       -1.16641  -0.00001  -0.00019  -0.00020  -0.00039  -1.16680
   D60        1.89876  -0.00002  -0.00014  -0.00024  -0.00038   1.89838
   D61        2.37585   0.00001  -0.00026   0.00015  -0.00011   2.37575
   D62       -1.11475  -0.00000  -0.00043  -0.00011  -0.00054  -1.11528
   D63        0.05651  -0.00000  -0.00032   0.00014  -0.00018   0.05634
   D64        2.84910  -0.00001  -0.00049  -0.00012  -0.00061   2.84849
   D65        2.38985   0.00000  -0.00017   0.00014  -0.00001   2.38985
   D66        1.83573   0.00000   0.00008   0.00013   0.00019   1.83591
   D67       -1.89613   0.00001  -0.00009   0.00022   0.00015  -1.89597
   D68       -2.45025   0.00001   0.00016   0.00022   0.00035  -2.44991
   D69        3.10221  -0.00000   0.00039   0.00011   0.00050   3.10271
   D70        0.03963  -0.00000   0.00034   0.00016   0.00050   0.04012
   D71       -0.04914  -0.00000   0.00007  -0.00003   0.00005  -0.04910
   D72        3.13205  -0.00000   0.00001  -0.00002  -0.00001   3.13203
   D73        3.01045  -0.00000   0.00014  -0.00006   0.00008   3.01053
   D74       -0.09154  -0.00000   0.00007  -0.00005   0.00002  -0.09153
   D75        0.05404   0.00000   0.00003   0.00008   0.00011   0.05415
   D76       -3.10932   0.00000   0.00003   0.00006   0.00009  -3.10923
   D77       -3.12739   0.00000   0.00009   0.00008   0.00017  -3.12722
   D78       -0.00757   0.00000   0.00010   0.00006   0.00016  -0.00741
   D79        2.47900   0.00000   0.00032  -0.00004   0.00028   2.47929
   D80       -0.66402   0.00000   0.00031  -0.00004   0.00027  -0.66375
   D81       -0.62147   0.00000   0.00025  -0.00003   0.00022  -0.62125
   D82        2.51869   0.00000   0.00024  -0.00004   0.00020   2.51889
   D83        0.01766  -0.00000  -0.00012  -0.00002  -0.00014   0.01753
   D84       -3.09700  -0.00000  -0.00011  -0.00003  -0.00015  -3.09715
   D85       -3.10233  -0.00000  -0.00012   0.00000  -0.00012  -3.10245
   D86        0.06619  -0.00000  -0.00012  -0.00001  -0.00013   0.06606
   D87       -0.03176   0.00000   0.00065   0.00003   0.00069  -0.03107
   D88       -3.12924   0.00000   0.00055   0.00005   0.00060  -3.12864
   D89       -2.81947   0.00001   0.00085   0.00030   0.00114  -2.81833
   D90        0.36623   0.00001   0.00074   0.00031   0.00105   0.36728
   D91       -0.92923   0.00001   0.00082   0.00006   0.00088  -0.92835
   D92        2.25647   0.00001   0.00072   0.00007   0.00079   2.25726
   D93        0.13695   0.00001   0.00012   0.00004   0.00016   0.13711
   D94       -2.13247   0.00001   0.00006   0.00003   0.00008  -2.13239
   D95        2.32143   0.00001   0.00003   0.00003   0.00006   2.32149
   D96        2.92922  -0.00000  -0.00006  -0.00022  -0.00028   2.92894
   D97        0.65980  -0.00001  -0.00012  -0.00023  -0.00036   0.65945
   D98       -1.16948  -0.00000  -0.00016  -0.00023  -0.00038  -1.16986
   D99        0.75733   0.00000  -0.00017  -0.00005  -0.00022   0.75711
   D100      -1.51209  -0.00000  -0.00023  -0.00006  -0.00030  -1.51239
   D101       2.94181   0.00000  -0.00027  -0.00006  -0.00032   2.94149
   D102      -1.15415  -0.00000  -0.00047   0.00028  -0.00017  -1.15432
   D103      -1.71605  -0.00000  -0.00023   0.00028   0.00003  -1.71601
   D104       1.01424  -0.00000  -0.00046   0.00014  -0.00030   1.01395
   D105       0.45235  -0.00000  -0.00022   0.00014  -0.00010   0.45225
   D106       0.00491  -0.00000  -0.00053  -0.00014  -0.00068   0.00423
   D107      -3.11652  -0.00000  -0.00029  -0.00006  -0.00035  -3.11686
   D108       3.10488  -0.00000  -0.00044  -0.00015  -0.00060   3.10428
   D109      -0.01654  -0.00000  -0.00020  -0.00007  -0.00027  -0.01681
   D110       3.11867   0.00000   0.00026   0.00006   0.00031   3.11899
   D111      -0.02050   0.00000   0.00027   0.00005   0.00032  -0.02018
   D112       0.02056   0.00000   0.00016   0.00007   0.00023   0.02079
   D113      -3.11861   0.00000   0.00016   0.00007   0.00023  -3.11838
   D114      -0.00877   0.00000   0.00004   0.00005   0.00008  -0.00869
   D115       3.11335   0.00000  -0.00020  -0.00003  -0.00024   3.11311
   D116       0.00086   0.00000   0.00008   0.00002   0.00010   0.00096
   D117       3.11414   0.00000   0.00006  -0.00000   0.00005   3.11419
   D118      -3.12169   0.00000   0.00031   0.00010   0.00041  -3.12128
   D119      -0.00841   0.00000   0.00029   0.00008   0.00036  -0.00805
   D120      -0.00913   0.00000   0.00001  -0.00002  -0.00001  -0.00914
   D121       3.11139   0.00000   0.00007  -0.00002   0.00005   3.11143
   D122       3.13010  -0.00000  -0.00000  -0.00002  -0.00002   3.13008
   D123      -0.03257  -0.00000   0.00006  -0.00001   0.00004  -0.03253
   D124      -0.00681  -0.00000  -0.00013  -0.00003  -0.00016  -0.00696
   D125       3.14016  -0.00000  -0.00008  -0.00001  -0.00009   3.14007
   D126      -3.12705  -0.00000  -0.00019  -0.00003  -0.00022  -3.12727
   D127       0.01992  -0.00000  -0.00014  -0.00001  -0.00016   0.01976
   D128       0.01084   0.00000   0.00008   0.00003   0.00011   0.01095
   D129      -3.10102   0.00000   0.00011   0.00005   0.00016  -3.10086
   D130      -3.13613   0.00000   0.00004   0.00001   0.00005  -3.13608
   D131       0.03520   0.00000   0.00006   0.00004   0.00010   0.03530
   D132       0.61551   0.00000   0.00033   0.00004   0.00038   0.61588
   D133      -2.52670   0.00000   0.00035   0.00005   0.00040  -2.52630
   D134      -2.52045   0.00000   0.00038   0.00006   0.00044  -2.52001
   D135       0.62053   0.00000   0.00040   0.00006   0.00046   0.62099
   D136      -3.13283   0.00000   0.00002   0.00001   0.00003  -3.13280
   D137      -0.03736   0.00000   0.00007   0.00003   0.00009  -0.03727
   D138       0.00954   0.00000   0.00002   0.00001   0.00003   0.00957
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   D152       3.13382   0.00000   0.00001   0.00001   0.00002   3.13383
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   D163       0.00510   0.00000   0.00006   0.00005   0.00011   0.00520
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   D167       0.03118  -0.00000  -0.00004  -0.00005  -0.00009   0.03109
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   D174      -2.20391   0.00002   0.00060   0.00041   0.00101  -2.20290
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   D413      -1.07744  -0.00000  -0.00004   0.00005   0.00002  -1.07742
   D414       1.03305  -0.00000   0.00000   0.00003   0.00004   1.03309
   D415       1.05366  -0.00000   0.00009  -0.00002   0.00005   1.05371
   D416       3.14042  -0.00000   0.00007  -0.00000   0.00004   3.14046
   D417      -1.03228  -0.00000   0.00010  -0.00002   0.00006  -1.03221
   D418      -1.08200   0.00000  -0.00005   0.00004  -0.00000  -1.08200
   D419       1.00476   0.00000  -0.00008   0.00006  -0.00001   1.00475
   D420       3.11525   0.00000  -0.00004   0.00004   0.00001   3.11526
   D421       1.25309  -0.00000  -0.00080  -0.00006  -0.00084   1.25225
   D422      -2.96840   0.00000  -0.00086  -0.00001  -0.00085  -2.96925
   D423      -0.79511   0.00000  -0.00068  -0.00006  -0.00071  -0.79582
   D424      -1.41856   0.00000  -0.00003  -0.00004  -0.00007  -1.41863
   D425       2.79271  -0.00000  -0.00002  -0.00007  -0.00007   2.79263
   D426       0.62233  -0.00000  -0.00017  -0.00004  -0.00017   0.62216
   D427       1.04624   0.00000   0.00034   0.00001   0.00035   1.04659
   D428       3.13592   0.00000   0.00036   0.00001   0.00037   3.13630
   D429      -1.05885   0.00000   0.00035   0.00001   0.00036  -1.05849
   D430      -1.02757  -0.00000   0.00027   0.00001   0.00028  -1.02729
   D431       1.06212   0.00000   0.00029   0.00001   0.00030   1.06241
   D432      -3.13265  -0.00000   0.00028   0.00001   0.00028  -3.13237
   D433       3.12659   0.00000   0.00027   0.00002   0.00029   3.12688
   D434      -1.06692   0.00000   0.00029   0.00002   0.00031  -1.06661
   D435       1.02150   0.00000   0.00027   0.00002   0.00030   1.02180
   D436      -1.31816  -0.00001   0.00091  -0.00028   0.00059  -1.31757
   D437      -1.22506   0.00000   0.00080  -0.00015   0.00063  -1.22444
   D438       0.43124   0.00000   0.00030   0.00003   0.00031   0.43155
   D439       1.11080   0.00000   0.00046  -0.00029   0.00019   1.11098
   D440       0.92899  -0.00000   0.00046  -0.00018   0.00029   0.92928
   D441      -0.39544   0.00000  -0.00010  -0.00001  -0.00011  -0.39555
         Item               Value     Threshold  Converged?
 Maximum Force            0.000097     0.000450     YES
 RMS     Force            0.000006     0.000300     YES
 Maximum Displacement     0.016378     0.001800     NO 
 RMS     Displacement     0.002924     0.001200     NO 
 Predicted change in Energy=-1.886171D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.835910    2.897744    0.557428
      2          6           0       -2.067927    1.522288    0.686676
      3          6           0       -1.019007    0.595651    0.726167
      4          6           0        0.307315    1.071904    0.674291
      5          6           0        0.548760    2.442085    0.513820
      6          6           0       -0.504191    3.342195    0.452677
      7          6           0       -1.236024   -0.864917    0.713386
      8          6           0       -0.169348   -1.742720    1.030884
      9          6           0        1.120110   -1.156479    1.539944
     10          6           0        1.433439    0.137052    0.830706
     11          6           0       -2.438530   -1.403866    0.242424
     12          6           0       -2.617860   -2.778665    0.042449
     13          6           0       -1.519385   -3.618379    0.274357
     14          6           0       -0.319077   -3.104862    0.748867
     15          7           0        2.229737   -2.046789    1.696961
     16          6           0        3.523815   -1.637669    1.253954
     17          6           0        3.671744   -0.375778    0.635153
     18          7           0        2.608273    0.490604    0.442445
     19          6           0        4.664004   -2.450286    1.354221
     20          6           0        5.895485   -2.012718    0.882715
     21          6           0        6.061448   -0.753636    0.277975
     22          6           0        4.923414    0.043052    0.162381
     23          6           0       -2.964136    3.859852    0.531816
     24          6           0       -3.910803   -3.313730   -0.446548
     25          6           0        7.381901   -0.298703   -0.219011
     26          6           0       -3.960348   -4.384818   -1.354809
     27          6           0       -5.173462   -4.881552   -1.820762
     28          6           0       -6.380415   -4.329226   -1.372732
     29          6           0       -6.348130   -3.267591   -0.459512
     30          6           0       -5.129804   -2.764917   -0.013486
     31          6           0       -2.856526    5.118227    1.148373
     32          6           0       -3.914421    6.021833    1.137289
     33          6           0       -5.111984    5.697371    0.487229
     34          6           0       -5.231711    4.451259   -0.141163
     35          6           0       -4.175077    3.546720   -0.108926
     36          6           0        8.294719   -1.201298   -0.790578
     37          6           0        9.531314   -0.776087   -1.266386
     38          6           0        9.898815    0.571692   -1.167831
     39          6           0        9.003549    1.482872   -0.593450
     40          6           0        7.762842    1.051321   -0.134856
     41          7           0       -6.189682    6.619112    0.464478
     42          7           0       -7.619250   -4.838829   -1.838054
     43          7           0       11.162095    1.008415   -1.643906
     44          6           0       -8.024683   -6.179104   -1.790395
     45          6           0       -9.322563   -6.287700   -2.351213
     46          6           0       -9.717977   -4.955303   -2.757693
     47          6           0       -8.646313   -4.088242   -2.425304
     48          6           0       -7.502772    6.355702    0.875633
     49          6           0       -8.284436    7.525401    0.697657
     50          6           0       -7.405893    8.539352    0.152810
     51          6           0       -6.123816    7.947286    0.023720
     52          6           0       11.378693    2.039449   -2.566900
     53          6           0       12.773008    2.174907   -2.787471
     54          6           0       13.427705    1.183661   -1.959508
     55          6           0       12.405299    0.482743   -1.270493
     56          6           0      -10.861219   -4.434381   -3.374569
     57          6           0      -10.919187   -3.072817   -3.655995
     58          6           0       -9.841873   -2.230301   -3.333645
     59          6           0       -8.692737   -2.722627   -2.718872
     60          6           0       -7.360589   -7.290091   -1.263180
     61          6           0       -8.008167   -8.522026   -1.325148
     62          6           0       -9.287675   -8.650125   -1.891531
     63          6           0       -9.950187   -7.537672   -2.401431
     64          6           0       -7.594724    9.869011   -0.241204
     65          6           0       -6.518101   10.582098   -0.759709
     66          6           0       -5.257963    9.975273   -0.894762
     67          6           0       -5.042416    8.653854   -0.509780
     68          6           0       -8.045655    5.189528    1.422114
     69          6           0       -9.394571    5.203624    1.770001
     70          6           0      -10.187273    6.349164    1.586097
     71          6           0       -9.637563    7.512072    1.055145
     72          6           0       14.767189    0.843938   -1.737368
     73          6           0       15.068604   -0.173323   -0.836886
     74          6           0       14.043746   -0.847735   -0.151752
     75          6           0       12.702546   -0.530208   -0.354549
     76          6           0       10.450148    2.833640   -3.245442
     77          6           0       10.940231    3.784668   -4.137652
     78          6           0       12.319228    3.942217   -4.357284
     79          6           0       13.238376    3.139022   -3.689126
     80          8           0        0.756304   -3.510907    3.480950
     81         15           0        2.089478   -3.343049    2.875173
     82          8           0        3.309841   -3.137537    3.895619
     83          8           0        2.625444   -4.566862    1.974775
     84          6           0        3.138720   -2.377530    5.133771
     85          6           0        4.253313   -2.783989    6.075926
     86          6           0        2.627137   -5.902747    2.559301
     87          6           0        2.975839   -6.887838    1.461937
     88          1           0       -3.089287    1.175646    0.796790
     89          1           0        1.576574    2.780877    0.451818
     90          1           0       -0.299615    4.399372    0.316829
     91          1           0       -3.236865   -0.731852   -0.049996
     92          1           0       -1.606772   -4.686145    0.102398
     93          1           0        0.512389   -3.783095    0.872804
     94          1           0        4.603257   -3.431305    1.797919
     95          1           0        6.754382   -2.664542    1.007923
     96          1           0        4.956463    1.011562   -0.324575
     97          1           0       -3.035749   -4.808241   -1.734487
     98          1           0       -5.192569   -5.684484   -2.549972
     99          1           0       -7.279931   -2.856301   -0.086169
    100          1           0       -5.123883   -1.961302    0.716372
    101          1           0       -1.946506    5.376435    1.680745
    102          1           0       -3.826641    6.973695    1.650204
    103          1           0       -6.145948    4.206975   -0.671588
    104          1           0       -4.276627    2.597726   -0.626186
    105          1           0        8.017443   -2.244939   -0.902446
    106          1           0       10.209166   -1.480813   -1.736354
    107          1           0        9.294063    2.522956   -0.489587
    108          1           0        7.093179    1.767461    0.331070
    109          1           0      -11.690057   -5.086783   -3.634074
    110          1           0      -11.801110   -2.656547   -4.132861
    111          1           0       -9.901898   -1.172070   -3.570240
    112          1           0       -7.861845   -2.067085   -2.483450
    113          1           0       -6.378035   -7.198558   -0.814005
    114          1           0       -7.511599   -9.400115   -0.922848
    115          1           0       -9.763559   -9.625249   -1.925842
    116          1           0      -10.943992   -7.635748   -2.828842
    117          1           0       -8.571167   10.335605   -0.147261
    118          1           0       -6.651638   11.614545   -1.067509
    119          1           0       -4.432334   10.545146   -1.310746
    120          1           0       -4.069302    8.190397   -0.627299
    121          1           0       -7.438701    4.304727    1.578004
    122          1           0       -9.839277    4.308871    2.195563
    123          1           0      -11.235884    6.325948    1.866065
    124          1           0      -10.248464    8.400609    0.923715
    125          1           0       15.560711    1.371804   -2.258592
    126          1           0       16.103717   -0.446766   -0.657127
    127          1           0       14.299607   -1.632289    0.554328
    128          1           0       11.918331   -1.048565    0.185789
    129          1           0        9.384087    2.711833   -3.089575
    130          1           0       10.238129    4.414616   -4.675872
    131          1           0       12.667852    4.694486   -5.058053
    132          1           0       14.303667    3.254484   -3.867503
    133          1           0        3.181069   -1.314788    4.883277
    134          1           0        2.149679   -2.597696    5.542045
    135          1           0        4.168925   -2.215378    7.007368
    136          1           0        4.194859   -3.849315    6.316527
    137          1           0        5.232887   -2.578695    5.635325
    138          1           0        3.364552   -5.923693    3.368496
    139          1           0        1.637098   -6.098746    2.981496
    140          1           0        3.960748   -6.670969    1.039468
    141          1           0        2.990921   -7.903152    1.870263
    142          1           0        2.237473   -6.850380    0.656501
    143         17           0        0.732634   -0.356942    3.404697
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177698           0.0074048           0.0058229
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13524.2243287190 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.75D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000171   -0.000018    0.000063 Ang=  -0.02 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -4306.68069886     A.U. after    7 cycles
            NFock=  7  Conv=0.56D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000009743    0.000011345   -0.000000392
      2        6           0.000006824   -0.000007487   -0.000002018
      3        6          -0.000005068    0.000002441    0.000005875
      4        6           0.000014569   -0.000004848    0.000003625
      5        6          -0.000002268    0.000000878   -0.000005870
      6        6          -0.000001895   -0.000000522   -0.000002768
      7        6          -0.000016871   -0.000003064   -0.000007199
      8        6           0.000005853   -0.000015819   -0.000002080
      9        6          -0.000025209    0.000046178   -0.000003177
     10        6          -0.000003918   -0.000028865   -0.000002850
     11        6           0.000003386    0.000018281    0.000013921
     12        6           0.000011917   -0.000015668   -0.000001471
     13        6          -0.000017454   -0.000003183   -0.000005836
     14        6           0.000006926    0.000015357    0.000007176
     15        7           0.000004516   -0.000036112   -0.000015986
     16        6           0.000015788    0.000017097    0.000008929
     17        6           0.000046445   -0.000013692    0.000005397
     18        7          -0.000031531    0.000026075    0.000005335
     19        6          -0.000013229   -0.000003535   -0.000002320
     20        6           0.000003615    0.000011203   -0.000005485
     21        6           0.000017748   -0.000007372    0.000001845
     22        6          -0.000021164    0.000000415    0.000003024
     23        6           0.000009714   -0.000005542    0.000000205
     24        6           0.000000966    0.000000328   -0.000000548
     25        6          -0.000007212   -0.000005455    0.000001245
     26        6           0.000001848    0.000000016    0.000000050
     27        6          -0.000006551    0.000005939   -0.000008677
     28        6           0.000023260    0.000015267    0.000008171
     29        6           0.000000298   -0.000009517    0.000006505
     30        6          -0.000003937    0.000001548    0.000002545
     31        6          -0.000000437   -0.000000224    0.000003741
     32        6          -0.000000996   -0.000000509    0.000001454
     33        6           0.000002879    0.000000764    0.000002983
     34        6           0.000001768   -0.000001377   -0.000002242
     35        6          -0.000003211    0.000000756   -0.000004261
     36        6           0.000000851   -0.000000228    0.000000789
     37        6          -0.000000514    0.000000538   -0.000002204
     38        6          -0.000001712   -0.000004140   -0.000000428
     39        6          -0.000001877   -0.000000281    0.000003091
     40        6           0.000001414    0.000004197   -0.000000582
     41        7          -0.000001621    0.000000577   -0.000004788
     42        7          -0.000027764   -0.000021743   -0.000008824
     43        7           0.000003568    0.000004845    0.000000410
     44        6          -0.000003941    0.000011905    0.000014160
     45        6           0.000000146   -0.000001944   -0.000005792
     46        6          -0.000004683   -0.000001872    0.000003380
     47        6           0.000016714   -0.000000444   -0.000010026
     48        6          -0.000000495    0.000000523    0.000003191
     49        6          -0.000003088   -0.000005166   -0.000005717
     50        6           0.000001502    0.000005711    0.000005699
     51        6          -0.000000327   -0.000001012   -0.000000251
     52        6           0.000000491   -0.000003352   -0.000002087
     53        6          -0.000002156    0.000006458    0.000003297
     54        6           0.000003954   -0.000006247   -0.000004746
     55        6          -0.000002562    0.000001746    0.000000856
     56        6           0.000001371    0.000000757   -0.000002839
     57        6          -0.000000876   -0.000000140    0.000000826
     58        6           0.000000790    0.000000527   -0.000000401
     59        6          -0.000000178    0.000001157    0.000002187
     60        6           0.000002075   -0.000000343   -0.000000622
     61        6           0.000000711    0.000000526    0.000001148
     62        6          -0.000000047   -0.000000414   -0.000001594
     63        6          -0.000000488   -0.000000569    0.000002701
     64        6          -0.000000801   -0.000001851   -0.000002847
     65        6           0.000001175    0.000000695    0.000000418
     66        6          -0.000000750    0.000000394   -0.000000698
     67        6           0.000000788   -0.000000169   -0.000000352
     68        6           0.000000685   -0.000000761    0.000000096
     69        6          -0.000000850    0.000000168    0.000000765
     70        6           0.000000195   -0.000001305   -0.000000420
     71        6           0.000000838    0.000001730    0.000003331
     72        6          -0.000000981    0.000002845    0.000003032
     73        6           0.000000362   -0.000001131   -0.000000376
     74        6           0.000000017    0.000000545    0.000000449
     75        6           0.000000182   -0.000000639    0.000001376
     76        6          -0.000000915    0.000000526    0.000000569
     77        6           0.000000167   -0.000000036   -0.000000827
     78        6          -0.000001138    0.000000745    0.000000310
     79        6           0.000000716   -0.000002188   -0.000002061
     80        8           0.000007235   -0.000005736    0.000004855
     81       15          -0.000008504    0.000014177    0.000000309
     82        8          -0.000017465    0.000014843    0.000043657
     83        8           0.000005502   -0.000002567   -0.000000032
     84        6           0.000027171   -0.000026015   -0.000053842
     85        6          -0.000003034    0.000001926    0.000007981
     86        6          -0.000002127    0.000003479   -0.000001749
     87        6           0.000002166    0.000000958    0.000000652
     88        1          -0.000001087    0.000002129   -0.000000414
     89        1          -0.000000129   -0.000000361    0.000000767
     90        1          -0.000000059    0.000000238   -0.000000302
     91        1          -0.000000637   -0.000003453   -0.000001903
     92        1           0.000000078    0.000000095    0.000000060
     93        1           0.000000686    0.000002433   -0.000004887
     94        1          -0.000000706   -0.000002974   -0.000000839
     95        1          -0.000000446   -0.000000442    0.000000778
     96        1           0.000001815   -0.000000842   -0.000000643
     97        1           0.000000252    0.000001362    0.000000311
     98        1          -0.000001173   -0.000002045    0.000000758
     99        1          -0.000001167   -0.000000193   -0.000001972
    100        1           0.000001606   -0.000000358    0.000000129
    101        1           0.000001054   -0.000000887   -0.000000688
    102        1          -0.000000524    0.000000210   -0.000000247
    103        1          -0.000000388    0.000000585    0.000000185
    104        1           0.000001620   -0.000000015    0.000000549
    105        1          -0.000000831    0.000000338   -0.000000359
    106        1           0.000000329    0.000000383    0.000000289
    107        1           0.000000352    0.000000261   -0.000000582
    108        1           0.000000128   -0.000000781    0.000000368
    109        1          -0.000000555    0.000000068    0.000000544
    110        1           0.000000406   -0.000000112   -0.000000888
    111        1          -0.000000645   -0.000000009    0.000000448
    112        1           0.000000968   -0.000000530    0.000001234
    113        1           0.000000741    0.000001585   -0.000000657
    114        1           0.000000334   -0.000000444   -0.000000637
    115        1          -0.000000420   -0.000000142    0.000001064
    116        1           0.000000249   -0.000000312   -0.000000328
    117        1           0.000000019    0.000000258    0.000000251
    118        1          -0.000000301   -0.000000299   -0.000000535
    119        1          -0.000000020    0.000000174    0.000000343
    120        1           0.000000025   -0.000000200    0.000000376
    121        1          -0.000000089    0.000000097   -0.000000479
    122        1          -0.000000189   -0.000000192   -0.000000353
    123        1           0.000000053    0.000000226    0.000000612
    124        1          -0.000000229   -0.000000408   -0.000000495
    125        1           0.000000259   -0.000000400   -0.000000574
    126        1          -0.000000112    0.000000755    0.000000563
    127        1           0.000000221   -0.000000165   -0.000000311
    128        1          -0.000000049   -0.000000253   -0.000000939
    129        1           0.000000092   -0.000000091    0.000000151
    130        1          -0.000000118    0.000000447    0.000000255
    131        1           0.000000231   -0.000000276   -0.000000548
    132        1          -0.000000103    0.000000427   -0.000000065
    133        1          -0.000002931    0.000014643   -0.000002907
    134        1          -0.000007999   -0.000004537    0.000014544
    135        1           0.000000747   -0.000000602   -0.000000994
    136        1           0.000000279   -0.000000465   -0.000000662
    137        1           0.000000421    0.000000016   -0.000001039
    138        1          -0.000001040   -0.000000982    0.000001492
    139        1          -0.000000263   -0.000000116   -0.000000888
    140        1           0.000000196   -0.000000319   -0.000000158
    141        1          -0.000000340    0.000000103    0.000000016
    142        1          -0.000000032    0.000000092   -0.000000427
    143       17           0.000009906   -0.000007023   -0.000003644
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000053842 RMS     0.000007820

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000042905 RMS     0.000003267
 Search for a local minimum.
 Step number  42 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   20   21   22   23   24
                                                     25   26   27   28   29
                                                     30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42
 DE= -2.59D-07 DEPred=-1.89D-07 R= 1.37D+00
 Trust test= 1.37D+00 RLast= 7.47D-03 DXMaxT set to 6.22D-01
 ITU=  0  0  1  1  1  0  1  0  0  0  0  0  0  1  0  1 -1  1  1  1
 ITU=  1  1  1 -1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  0
 ITU=  1  0
     Eigenvalues ---    0.00025   0.00132   0.00255   0.00404   0.00419
     Eigenvalues ---    0.00481   0.00699   0.00771   0.00785   0.01266
     Eigenvalues ---    0.01610   0.02000   0.02385   0.02548   0.02613
     Eigenvalues ---    0.02638   0.02684   0.02704   0.02708   0.02708
     Eigenvalues ---    0.02714   0.02725   0.02726   0.02728   0.02730
     Eigenvalues ---    0.02739   0.02744   0.02755   0.02764   0.02771
     Eigenvalues ---    0.02773   0.02774   0.02775   0.02779   0.02784
     Eigenvalues ---    0.02785   0.02786   0.02789   0.02790   0.02791
     Eigenvalues ---    0.02791   0.02792   0.02792   0.02793   0.02794
     Eigenvalues ---    0.02795   0.02799   0.02801   0.02802   0.02803
     Eigenvalues ---    0.02804   0.02804   0.02807   0.02808   0.02808
     Eigenvalues ---    0.02808   0.02809   0.02811   0.02813   0.02816
     Eigenvalues ---    0.02817   0.02817   0.02818   0.02818   0.02819
     Eigenvalues ---    0.02819   0.02821   0.02829   0.02830   0.02840
     Eigenvalues ---    0.02843   0.02844   0.02845   0.02845   0.02846
     Eigenvalues ---    0.02847   0.02850   0.02854   0.02862   0.02868
     Eigenvalues ---    0.02868   0.02868   0.02869   0.02872   0.02873
     Eigenvalues ---    0.02874   0.02876   0.02877   0.02878   0.02878
     Eigenvalues ---    0.02879   0.02881   0.02882   0.02884   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02886   0.02886
     Eigenvalues ---    0.02887   0.02890   0.02892   0.02894   0.02896
     Eigenvalues ---    0.02897   0.02898   0.02898   0.02899   0.02899
     Eigenvalues ---    0.02901   0.02908   0.02908   0.02910   0.02933
     Eigenvalues ---    0.02942   0.02948   0.03009   0.03025   0.03025
     Eigenvalues ---    0.03029   0.03059   0.03114   0.03131   0.03133
     Eigenvalues ---    0.03134   0.03150   0.03172   0.03301   0.03400
     Eigenvalues ---    0.03893   0.04021   0.04671   0.05371   0.05564
     Eigenvalues ---    0.05579   0.05620   0.05726   0.05746   0.05996
     Eigenvalues ---    0.07513   0.08548   0.09392   0.10515   0.10989
     Eigenvalues ---    0.11425   0.11590   0.12605   0.13650   0.15229
     Eigenvalues ---    0.15591   0.15802   0.15861   0.15920   0.15948
     Eigenvalues ---    0.15963   0.15974   0.15986   0.15987   0.15987
     Eigenvalues ---    0.15988   0.15989   0.15994   0.15996   0.15997
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15997   0.15998
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16001   0.16003   0.16004
     Eigenvalues ---    0.16010   0.16013   0.16033   0.16095   0.16111
     Eigenvalues ---    0.16316   0.16779   0.17318   0.18739   0.19846
     Eigenvalues ---    0.20892   0.21984   0.21999   0.21999   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22000   0.22002   0.22004
     Eigenvalues ---    0.22005   0.22339   0.22410   0.22510   0.22599
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22604   0.22694
     Eigenvalues ---    0.22944   0.22965   0.22996   0.23148   0.23241
     Eigenvalues ---    0.23399   0.23514   0.23708   0.23963   0.23991
     Eigenvalues ---    0.24199   0.24438   0.24482   0.24486   0.24489
     Eigenvalues ---    0.24491   0.24534   0.24744   0.24903   0.24978
     Eigenvalues ---    0.24981   0.24985   0.24986   0.24986   0.24988
     Eigenvalues ---    0.24990   0.24996   0.24997   0.25000   0.25000
     Eigenvalues ---    0.25002   0.25003   0.25015   0.25027   0.25047
     Eigenvalues ---    0.25091   0.25117   0.25422   0.26260   0.27829
     Eigenvalues ---    0.28134   0.28845   0.29787   0.29806   0.30263
     Eigenvalues ---    0.32017   0.32099   0.32129   0.32142   0.32148
     Eigenvalues ---    0.32173   0.32192   0.32220   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33297   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33458   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33634   0.33639
     Eigenvalues ---    0.33639   0.33643   0.33648   0.33663   0.33701
     Eigenvalues ---    0.33723   0.33745   0.33819   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33921   0.33940
     Eigenvalues ---    0.33947   0.33955   0.33961   0.34432   0.34487
     Eigenvalues ---    0.34877   0.34921   0.35037   0.38063   0.40296
     Eigenvalues ---    0.41712   0.42878   0.44414   0.44430   0.44439
     Eigenvalues ---    0.44451   0.45057   0.45675   0.48677   0.48820
     Eigenvalues ---    0.48935   0.48975   0.49118   0.49341   0.49737
     Eigenvalues ---    0.49798   0.49814   0.49842   0.49869   0.49932
     Eigenvalues ---    0.50006   0.50199   0.50292   0.50396   0.50408
     Eigenvalues ---    0.50610   0.50614   0.50616   0.51190   0.51549
     Eigenvalues ---    0.52023   0.52431   0.52550   0.52797   0.53375
     Eigenvalues ---    0.54036   0.54112   0.54199   0.54200   0.54206
     Eigenvalues ---    0.54252   0.54424   0.54918   0.55123   0.55298
     Eigenvalues ---    0.55330   0.55343   0.55356   0.55396   0.55421
     Eigenvalues ---    0.55428   0.55489   0.55533   0.55632   0.55690
     Eigenvalues ---    0.55706   0.55750   0.55811   0.55939   0.55948
     Eigenvalues ---    0.56147   0.56152   0.56153   0.56194   0.56226
     Eigenvalues ---    0.56269   0.56306   0.56383   0.56628   0.56662
     Eigenvalues ---    0.56664   0.56670   0.56672   0.56682   0.56845
     Eigenvalues ---    0.56899   0.56914   0.57113   0.57173   0.57177
     Eigenvalues ---    0.57189   0.57195   0.57209   0.57315   0.57662
     Eigenvalues ---    0.61688   0.61988   0.65842   0.66054   0.67648
     Eigenvalues ---    0.67657   0.67661   0.68889   0.69895   0.70075
     Eigenvalues ---    0.72296   0.74934   0.80042
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    42   41   40   39   38   37   36   35   34   33
 RFO step:  Lambda=-1.13072029D-07.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 DIIS inversion failure, remove point   4.
 RFO-DIIS uses    3 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.65534   -0.83275    0.17740    0.00000    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00161864 RMS(Int)=  0.00000030
 Iteration  2 RMS(Cart)=  0.00000056 RMS(Int)=  0.00000025
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64725   0.00000  -0.00001   0.00000  -0.00001   2.64724
    R2        2.66041  -0.00000   0.00000  -0.00000  -0.00000   2.66041
    R3        2.80241  -0.00001  -0.00002  -0.00001  -0.00003   2.80238
    R4        2.64592  -0.00000   0.00002  -0.00001   0.00001   2.64593
    R5        2.04882  -0.00000  -0.00000   0.00000  -0.00000   2.04881
    R6        2.66488   0.00000   0.00002   0.00000   0.00003   2.66491
    R7        2.79048  -0.00000   0.00001  -0.00000   0.00001   2.79049
    R8        2.64659   0.00000   0.00002   0.00000   0.00002   2.64661
    R9        2.78154  -0.00001  -0.00005   0.00001  -0.00004   2.78150
   R10        2.62028   0.00000  -0.00002   0.00000  -0.00001   2.62027
   R11        2.04844  -0.00000  -0.00000  -0.00000  -0.00000   2.04843
   R12        2.05097   0.00000   0.00000   0.00000   0.00000   2.05097
   R13        2.67858   0.00001   0.00001   0.00001   0.00002   2.67860
   R14        2.64446  -0.00001   0.00001  -0.00002  -0.00001   2.64446
   R15        2.84435   0.00000   0.00001  -0.00002  -0.00000   2.84435
   R16        2.64385  -0.00001  -0.00002  -0.00001  -0.00003   2.64382
   R17        2.84993  -0.00002   0.00005  -0.00006  -0.00001   2.84991
   R18        2.70474   0.00002   0.00021  -0.00004   0.00018   2.70492
   R19        3.90342  -0.00001  -0.00020   0.00004  -0.00016   3.90325
   R20        2.43179   0.00001  -0.00000   0.00001   0.00001   2.43180
   R21        2.64711   0.00001  -0.00000   0.00002   0.00002   2.64713
   R22        2.04794  -0.00000  -0.00001   0.00000  -0.00001   2.04793
   R23        2.64936  -0.00001  -0.00001  -0.00001  -0.00002   2.64934
   R24        2.80108  -0.00000   0.00002  -0.00001   0.00002   2.80110
   R25        2.62502   0.00001  -0.00000   0.00001   0.00001   2.62503
   R26        2.05045  -0.00000  -0.00000   0.00000  -0.00000   2.05044
   R27        2.04116  -0.00000  -0.00000   0.00000   0.00000   2.04116
   R28        2.69792   0.00001  -0.00005   0.00004  -0.00001   2.69791
   R29        3.32084  -0.00000  -0.00002   0.00002   0.00000   3.32084
   R30        5.34938  -0.00000   0.00009  -0.00004   0.00005   5.34943
   R31        2.67058  -0.00001   0.00001  -0.00001   0.00000   2.67059
   R32        2.65265  -0.00001  -0.00000  -0.00001  -0.00001   2.65263
   R33        2.61761   0.00004  -0.00002   0.00004   0.00002   2.61763
   R34        2.64940  -0.00001   0.00000  -0.00001  -0.00001   2.64939
   R35        2.62552   0.00001  -0.00000   0.00001   0.00001   2.62552
   R36        2.03789   0.00000   0.00001  -0.00000   0.00001   2.03790
   R37        2.65810  -0.00001  -0.00000  -0.00001  -0.00001   2.65809
   R38        2.05125  -0.00000   0.00000  -0.00000  -0.00000   2.05125
   R39        2.63425   0.00001   0.00000   0.00001   0.00002   2.63427
   R40        2.80136  -0.00001  -0.00000  -0.00001  -0.00001   2.80135
   R41        2.04949  -0.00000  -0.00000  -0.00000  -0.00000   2.04949
   R42        2.65587   0.00000  -0.00000   0.00000  -0.00000   2.65587
   R43        2.65571   0.00000  -0.00000   0.00000   0.00000   2.65571
   R44        2.65547   0.00000  -0.00000   0.00000  -0.00000   2.65546
   R45        2.65552   0.00000   0.00000   0.00000   0.00001   2.65552
   R46        2.65545   0.00000  -0.00000   0.00000  -0.00000   2.65545
   R47        2.65556   0.00000  -0.00000   0.00000   0.00000   2.65557
   R48        2.62903   0.00000   0.00001   0.00000   0.00001   2.62904
   R49        2.05131  -0.00000  -0.00000   0.00000  -0.00000   2.05131
   R50        2.64732  -0.00000  -0.00002  -0.00001  -0.00002   2.64730
   R51        2.04999   0.00000   0.00000   0.00000   0.00000   2.05000
   R52        2.64702  -0.00000  -0.00001  -0.00000  -0.00002   2.64700
   R53        2.67977   0.00002   0.00004   0.00002   0.00006   2.67983
   R54        2.62933   0.00000   0.00001  -0.00000   0.00001   2.62933
   R55        2.04998   0.00000   0.00000   0.00000   0.00000   2.04998
   R56        2.05148  -0.00000  -0.00000  -0.00000  -0.00000   2.05148
   R57        2.62921   0.00000   0.00000   0.00000   0.00000   2.62921
   R58        2.05123   0.00000   0.00000  -0.00000   0.00000   2.05123
   R59        2.64697   0.00000   0.00000  -0.00000   0.00000   2.64698
   R60        2.05001   0.00000  -0.00000   0.00000  -0.00000   2.05001
   R61        2.64697   0.00000   0.00000   0.00000   0.00000   2.64697
   R62        2.68019   0.00000  -0.00001   0.00001   0.00000   2.68019
   R63        2.62917  -0.00000   0.00000  -0.00000  -0.00000   2.62917
   R64        2.05003  -0.00000  -0.00000   0.00000  -0.00000   2.05003
   R65        2.05143  -0.00000   0.00000  -0.00000   0.00000   2.05143
   R66        2.62962   0.00000   0.00000  -0.00000   0.00000   2.62962
   R67        2.05154  -0.00000   0.00000  -0.00000   0.00000   2.05154
   R68        2.64648  -0.00000  -0.00000  -0.00000  -0.00000   2.64648
   R69        2.05015  -0.00000  -0.00000   0.00000  -0.00000   2.05015
   R70        2.64674   0.00000   0.00000   0.00000   0.00000   2.64674
   R71        2.68131   0.00000  -0.00001   0.00001   0.00000   2.68132
   R72        2.62930  -0.00000  -0.00000  -0.00000  -0.00000   2.62930
   R73        2.05012   0.00000  -0.00000   0.00000  -0.00000   2.05012
   R74        2.05137  -0.00000   0.00000  -0.00000   0.00000   2.05137
   R75        2.64740   0.00000   0.00000  -0.00000   0.00000   2.64740
   R76        2.64741  -0.00000   0.00000  -0.00000   0.00000   2.64741
   R77        2.64763  -0.00001  -0.00004  -0.00001  -0.00005   2.64758
   R78        2.64771  -0.00001  -0.00004  -0.00001  -0.00005   2.64766
   R79        2.64687  -0.00000   0.00000  -0.00000  -0.00000   2.64687
   R80        2.64651  -0.00000  -0.00000  -0.00000  -0.00000   2.64651
   R81        2.67968   0.00000   0.00001   0.00000   0.00001   2.67969
   R82        2.64107  -0.00000  -0.00000  -0.00000  -0.00000   2.64107
   R83        2.73643   0.00000   0.00001   0.00000   0.00001   2.73644
   R84        2.64485   0.00000   0.00000   0.00000   0.00000   2.64485
   R85        2.67964   0.00000   0.00001   0.00000   0.00001   2.67965
   R86        2.64487   0.00000   0.00000   0.00000   0.00000   2.64487
   R87        2.64105  -0.00000  -0.00000  -0.00000  -0.00000   2.64105
   R88        2.67973   0.00000   0.00000   0.00000   0.00000   2.67973
   R89        2.64111   0.00000   0.00001  -0.00000   0.00000   2.64111
   R90        2.73638   0.00000  -0.00000   0.00001   0.00001   2.73639
   R91        2.64489  -0.00000  -0.00000   0.00000  -0.00000   2.64489
   R92        2.67977   0.00000  -0.00000   0.00000  -0.00000   2.67977
   R93        2.64487  -0.00000  -0.00000   0.00000  -0.00000   2.64487
   R94        2.64108   0.00000   0.00000  -0.00000   0.00000   2.64108
   R95        2.67989   0.00000  -0.00000   0.00000   0.00000   2.67989
   R96        2.64113   0.00000   0.00000  -0.00000   0.00000   2.64113
   R97        2.73633   0.00000   0.00000   0.00001   0.00001   2.73634
   R98        2.64499   0.00000  -0.00000   0.00000  -0.00000   2.64499
   R99        2.68004   0.00000   0.00000   0.00000   0.00000   2.68004
   R100       2.64492   0.00000  -0.00000   0.00000  -0.00000   2.64492
   R101       2.64114   0.00000   0.00000  -0.00000   0.00000   2.64115
   R102       2.62965   0.00000  -0.00000   0.00000   0.00000   2.62965
   R103       2.05272   0.00000   0.00000  -0.00000   0.00000   2.05272
   R104       2.65528   0.00000   0.00001   0.00000   0.00001   2.65529
   R105       2.05144   0.00000  -0.00000   0.00000   0.00000   2.05144
   R106       2.63266   0.00000  -0.00000   0.00000  -0.00000   2.63265
   R107       2.05228   0.00000   0.00000   0.00000   0.00000   2.05228
   R108       2.04889   0.00000   0.00000   0.00000   0.00001   2.04889
   R109       2.63267   0.00000  -0.00000   0.00000  -0.00000   2.63267
   R110       2.04889   0.00000   0.00000   0.00000   0.00001   2.04890
   R111       2.65528   0.00000   0.00001   0.00000   0.00001   2.65529
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   D368      -0.00758   0.00000  -0.00001   0.00001  -0.00000  -0.00758
   D369       3.13951   0.00000   0.00000   0.00001   0.00001   3.13952
   D370       3.13037   0.00000  -0.00000   0.00001   0.00001   3.13038
   D371      -0.00573   0.00000   0.00001   0.00001   0.00002  -0.00571
   D372       0.00684   0.00000   0.00001   0.00000   0.00001   0.00685
   D373      -3.12956  -0.00000  -0.00000  -0.00001  -0.00001  -3.12957
   D374      -3.14026  -0.00000  -0.00001   0.00000  -0.00001  -3.14027
   D375       0.00652  -0.00000  -0.00002  -0.00000  -0.00002   0.00650
   D376      -0.00640  -0.00000  -0.00000  -0.00000  -0.00000  -0.00641
   D377       3.14020   0.00000   0.00001   0.00000   0.00001   3.14021
   D378       3.13020   0.00000   0.00000   0.00001   0.00001   3.13021
   D379      -0.00638   0.00000   0.00001   0.00001   0.00002  -0.00636
   D380       0.00714  -0.00000   0.00000  -0.00001  -0.00001   0.00714
   D381      -3.13121  -0.00000  -0.00000  -0.00001  -0.00001  -3.13122
   D382      -3.13944  -0.00000  -0.00001  -0.00001  -0.00002  -3.13946
   D383       0.00539  -0.00000  -0.00001  -0.00001  -0.00002   0.00537
   D384       0.00447  -0.00000  -0.00000   0.00000  -0.00000   0.00447
   D385      -3.13052  -0.00000   0.00001  -0.00001  -0.00000  -3.13053
   D386      -3.14035   0.00000   0.00001  -0.00000   0.00000  -3.14035
   D387       0.00784  -0.00000   0.00001  -0.00001   0.00000   0.00784
   D388       0.00449   0.00000  -0.00001   0.00000  -0.00000   0.00448
   D389      -3.14026   0.00000   0.00000   0.00000   0.00000  -3.14026
   D390      -3.13052   0.00000   0.00001  -0.00000   0.00001  -3.13050
   D391       0.00792   0.00000   0.00002  -0.00000   0.00002   0.00794
   D392       0.00715  -0.00000   0.00001  -0.00001  -0.00000   0.00715
   D393      -3.13939  -0.00000  -0.00000  -0.00001  -0.00001  -3.13940
   D394      -3.13128  -0.00000   0.00000  -0.00001  -0.00001  -3.13128
   D395       0.00537  -0.00000  -0.00001  -0.00001  -0.00002   0.00535
   D396      -0.00641  -0.00000  -0.00000  -0.00000  -0.00001  -0.00641
   D397       3.13022   0.00000   0.00000   0.00000   0.00000   3.13022
   D398       3.14014   0.00000   0.00001  -0.00000   0.00001   3.14015
   D399      -0.00642   0.00000   0.00001   0.00000   0.00002  -0.00640
   D400       1.63583   0.00000  -0.00009  -0.00022  -0.00031   1.63552
   D401      -0.62751  -0.00001  -0.00017  -0.00024  -0.00040  -0.62791
   D402      -2.84845  -0.00000  -0.00009  -0.00023  -0.00032  -2.84877
   D403      -3.09592   0.00000  -0.00004   0.00019   0.00015  -3.09577
   D404      -0.92112   0.00001  -0.00001   0.00021   0.00019  -0.92093
   D405       1.29780  -0.00000  -0.00004   0.00019   0.00015   1.29795
   D406       2.78587  -0.00000  -0.00022   0.00026   0.00004   2.78591
   D407      -1.38572  -0.00000  -0.00022   0.00026   0.00004  -1.38568
   D408       0.66184   0.00000  -0.00028   0.00030   0.00002   0.66186
   D409       2.99898   0.00000   0.00044  -0.00011   0.00032   2.99930
   D410      -1.17449   0.00000   0.00045  -0.00012   0.00033  -1.17416
   D411       0.88278   0.00000   0.00045  -0.00012   0.00033   0.88311
   D412       3.11901  -0.00000  -0.00004   0.00001  -0.00003   3.11898
   D413      -1.07742   0.00000  -0.00004   0.00002  -0.00002  -1.07744
   D414       1.03309  -0.00000  -0.00004   0.00000  -0.00003   1.03306
   D415       1.05371  -0.00000  -0.00001  -0.00000  -0.00002   1.05369
   D416       3.14046  -0.00000  -0.00001   0.00000  -0.00001   3.14045
   D417      -1.03221  -0.00000  -0.00001  -0.00001  -0.00002  -1.03224
   D418      -1.08200   0.00000   0.00000   0.00003   0.00003  -1.08197
   D419       1.00475   0.00000   0.00000   0.00004   0.00004   1.00479
   D420       3.11526   0.00000   0.00000   0.00002   0.00003   3.11529
   D421       1.25225   0.00000   0.00029   0.00002   0.00031   1.25257
   D422      -2.96925   0.00000   0.00029   0.00005   0.00034  -2.96891
   D423      -0.79582  -0.00000   0.00032  -0.00002   0.00030  -0.79552
   D424      -1.41863   0.00000   0.00015  -0.00010   0.00005  -1.41858
   D425       2.79263  -0.00000   0.00011  -0.00011  -0.00000   2.79263
   D426       0.62216   0.00000   0.00010  -0.00007   0.00003   0.62218
   D427       1.04659   0.00000   0.00010  -0.00001   0.00009   1.04669
   D428       3.13630   0.00000   0.00011  -0.00002   0.00009   3.13639
   D429      -1.05849   0.00000   0.00010  -0.00002   0.00009  -1.05840
   D430      -1.02729  -0.00000   0.00008  -0.00001   0.00008  -1.02721
   D431       1.06241  -0.00000   0.00009  -0.00001   0.00008   1.06249
   D432      -3.13237  -0.00000   0.00008  -0.00001   0.00007  -3.13230
   D433       3.12688   0.00000   0.00009  -0.00001   0.00008   3.12696
   D434      -1.06661   0.00000   0.00010  -0.00002   0.00008  -1.06652
   D435       1.02180   0.00000   0.00009  -0.00002   0.00007   1.02187
   D436      -1.31757  -0.00000  -0.00054  -0.00019  -0.00073  -1.31830
   D437      -1.22444   0.00000  -0.00034  -0.00014  -0.00049  -1.22493
   D438       0.43155   0.00000  -0.00012   0.00000  -0.00012   0.43143
   D439       1.11098  -0.00000  -0.00037  -0.00017  -0.00054   1.11045
   D440       0.92928  -0.00000  -0.00022  -0.00013  -0.00036   0.92892
   D441      -0.39555  -0.00000   0.00003   0.00002   0.00005  -0.39550
         Item               Value     Threshold  Converged?
 Maximum Force            0.000043     0.000450     YES
 RMS     Force            0.000003     0.000300     YES
 Maximum Displacement     0.008451     0.001800     NO 
 RMS     Displacement     0.001619     0.001200     NO 
 Predicted change in Energy=-5.484646D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.835338    2.897581    0.557590
      2          6           0       -2.067549    1.522133    0.686509
      3          6           0       -1.018777    0.595315    0.725950
      4          6           0        0.307627    1.071413    0.674310
      5          6           0        0.549255    2.441613    0.514184
      6          6           0       -0.503550    3.341889    0.453129
      7          6           0       -1.236075   -0.865211    0.712780
      8          6           0       -0.169441   -1.743319    1.029626
      9          6           0        1.120155   -1.157502    1.538818
     10          6           0        1.433652    0.136412    0.830371
     11          6           0       -2.438841   -1.403847    0.242136
     12          6           0       -2.618422   -2.778557    0.041726
     13          6           0       -1.519964   -3.618501    0.272819
     14          6           0       -0.319416   -3.105316    0.747106
     15          7           0        2.229714   -2.048164    1.695179
     16          6           0        3.523813   -1.638898    1.252386
     17          6           0        3.671959   -0.376482    0.634705
     18          7           0        2.608584    0.490161    0.442571
     19          6           0        4.663810   -2.451882    1.351771
     20          6           0        5.895378   -2.014116    0.880663
     21          6           0        6.061590   -0.754467    0.277185
     22          6           0        4.923705    0.042554    0.162334
     23          6           0       -2.963437    3.859818    0.532019
     24          6           0       -3.911674   -3.313267   -0.446875
     25          6           0        7.382125   -0.299296   -0.219347
     26          6           0       -3.961781   -4.384047   -1.355467
     27          6           0       -5.175189   -4.880449   -1.821027
     28          6           0       -6.381832   -4.328080   -1.372254
     29          6           0       -6.348995   -3.266758   -0.458704
     30          6           0       -5.130390   -2.764409   -0.013064
     31          6           0       -2.855918    5.117871    1.149245
     32          6           0       -3.913712    6.021597    1.138214
     33          6           0       -5.111062    5.697587    0.487535
     34          6           0       -5.230684    4.451807   -0.141539
     35          6           0       -4.174162    3.547134   -0.109352
     36          6           0        8.294725   -1.201468   -0.791924
     37          6           0        9.531405   -0.776012   -1.267298
     38          6           0        9.899212    0.571575   -1.167273
     39          6           0        9.004164    1.482327   -0.591870
     40          6           0        7.763372    1.050551   -0.133721
     41          7           0       -6.188657    6.619450    0.464841
     42          7           0       -7.620985   -4.837347   -1.837188
     43          7           0       11.162582    1.008537   -1.642891
     44          6           0       -8.026925   -6.177424   -1.789027
     45          6           0       -9.324930   -6.285705   -2.349629
     46          6           0       -9.719869   -4.953280   -2.756502
     47          6           0       -8.647797   -4.086548   -2.424546
     48          6           0       -7.501929    6.355969    0.875372
     49          6           0       -8.283392    7.525856    0.697749
     50          6           0       -7.404527    8.540008    0.153790
     51          6           0       -6.122471    7.947863    0.024849
     52          6           0       11.379395    2.040505   -2.564789
     53          6           0       12.773736    2.175884   -2.785244
     54          6           0       13.428226    1.183598   -1.958357
     55          6           0       12.405671    0.482180   -1.270071
     56          6           0      -10.862985   -4.432063   -3.373364
     57          6           0      -10.920440   -3.070552   -3.655155
     58          6           0       -9.842756   -2.228368   -3.333161
     59          6           0       -8.693730   -2.720983   -2.718416
     60          6           0       -7.363101   -7.288500   -1.261664
     61          6           0       -8.011135   -8.520217   -1.323161
     62          6           0       -9.290807   -8.648008   -1.889253
     63          6           0       -9.953012   -7.535469   -2.399363
     64          6           0       -7.593063    9.869903   -0.239569
     65          6           0       -6.516167   10.583157   -0.757273
     66          6           0       -5.256047    9.976263   -0.892187
     67          6           0       -5.040792    8.654607   -0.507855
     68          6           0       -8.045156    5.189565    1.421025
     69          6           0       -9.394194    5.203642    1.768440
     70          6           0      -10.186690    6.349380    1.584878
     71          6           0       -9.636646    7.512506    1.054754
     72          6           0       14.767638    0.843353   -1.736590
     73          6           0       15.068842   -0.174936   -0.837202
     74          6           0       14.043843   -0.849860   -0.152783
     75          6           0       12.702710   -0.531823   -0.355221
     76          6           0       10.451019    2.835643   -3.242455
     77          6           0       10.941302    3.787509   -4.133660
     78          6           0       12.320332    3.944971   -4.353161
     79          6           0       13.239307    3.140847   -3.685885
     80          8           0        0.756407   -3.512812    3.478912
     81         15           0        2.089485   -3.344826    2.872956
     82          8           0        3.310080   -3.139881    3.893236
     83          8           0        2.625139   -4.568404    1.972027
     84          6           0        3.139528   -2.380008    5.131493
     85          6           0        4.254174   -2.786965    6.073367
     86          6           0        2.626555   -5.904506    2.556051
     87          6           0        2.975431   -6.889218    1.458401
     88          1           0       -3.088992    1.175665    0.796387
     89          1           0        1.577125    2.780265    0.452384
     90          1           0       -0.298825    4.399074    0.317566
     91          1           0       -3.237243   -0.731673   -0.049718
     92          1           0       -1.607539   -4.686182    0.100433
     93          1           0        0.512037   -3.783670    0.870466
     94          1           0        4.602812   -3.433346    1.794460
     95          1           0        6.754135   -2.666257    1.005167
     96          1           0        4.956954    1.011492   -0.323755
     97          1           0       -3.037416   -4.807474   -1.735709
     98          1           0       -5.194778   -5.683185   -2.550444
     99          1           0       -7.280583   -2.855433   -0.084863
    100          1           0       -5.124009   -1.961042    0.717062
    101          1           0       -1.946050    5.375707    1.682060
    102          1           0       -3.826024    6.973193    1.651639
    103          1           0       -6.144739    4.207899   -0.672450
    104          1           0       -4.275601    2.598399   -0.627110
    105          1           0        8.017209   -2.244923   -0.904928
    106          1           0       10.209087   -1.480376   -1.738053
    107          1           0        9.294914    2.522230   -0.486872
    108          1           0        7.093875    1.766325    0.333006
    109          1           0      -11.692134   -5.084194   -3.632555
    110          1           0      -11.802253   -2.654060   -4.132031
    111          1           0       -9.902416   -1.170170   -3.570003
    112          1           0       -7.862553   -2.065716   -2.483224
    113          1           0       -6.380405   -7.197176   -0.812749
    114          1           0       -7.514800   -9.398382   -0.920736
    115          1           0       -9.767055   -9.622969   -1.923173
    116          1           0      -10.946920   -7.633319   -2.826588
    117          1           0       -8.569492   10.336549   -0.145733
    118          1           0       -6.649472   11.615785   -1.064563
    119          1           0       -4.430194   10.546273   -1.307538
    120          1           0       -4.067687    8.191107   -0.625278
    121          1           0       -7.438374    4.304602    1.576660
    122          1           0       -9.839162    4.308711    2.193352
    123          1           0      -11.235400    6.326142    1.864473
    124          1           0      -10.247386    8.401192    0.923582
    125          1           0       15.561265    1.371603   -2.257265
    126          1           0       16.103898   -0.448789   -0.657733
    127          1           0       14.299540   -1.635234    0.552446
    128          1           0       11.918391   -1.050593    0.184569
    129          1           0        9.384932    2.713916   -3.086702
    130          1           0       10.239334    4.418201   -4.671182
    131          1           0       12.669110    4.697900   -5.053145
    132          1           0       14.304622    3.256249   -3.864160
    133          1           0        3.182200   -1.317235    4.881101
    134          1           0        2.150489   -2.599835    5.539994
    135          1           0        4.170199   -2.218416    7.004882
    136          1           0        4.195387   -3.852295    6.313872
    137          1           0        5.233724   -2.581987    5.632563
    138          1           0        3.363761   -5.925842    3.365427
    139          1           0        1.636388   -6.100555    2.977922
    140          1           0        3.960504   -6.672353    1.036313
    141          1           0        2.990217   -7.904695    1.866330
    142          1           0        2.237313   -6.851317    0.652757
    143         17           0        0.732990   -0.359030    3.403996
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177729           0.0074047           0.0058223
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13524.2551712014 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.75D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000099   -0.000011    0.000056 Ang=  -0.01 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -4306.68069893     A.U. after    6 cycles
            NFock=  6  Conv=0.89D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001906    0.000006123   -0.000000177
      2        6           0.000003815   -0.000005239    0.000001214
      3        6          -0.000003239    0.000005419    0.000003096
      4        6          -0.000000660   -0.000000605   -0.000005353
      5        6           0.000001321   -0.000000764   -0.000000830
      6        6          -0.000003222   -0.000000934   -0.000000097
      7        6          -0.000007699   -0.000005774   -0.000004207
      8        6           0.000005027   -0.000002246    0.000005321
      9        6           0.000011224    0.000020001   -0.000001161
     10        6           0.000005329   -0.000032603    0.000001100
     11        6           0.000003982    0.000012785    0.000004956
     12        6           0.000004132   -0.000012772   -0.000002251
     13        6          -0.000010016   -0.000001161   -0.000003749
     14        6           0.000004379    0.000008819    0.000003657
     15        7          -0.000039517   -0.000011276   -0.000009062
     16        6           0.000017841    0.000018926    0.000005691
     17        6           0.000031980   -0.000017602    0.000003852
     18        7          -0.000024053    0.000021302    0.000001230
     19        6          -0.000009020   -0.000002333   -0.000000150
     20        6           0.000001900    0.000006633   -0.000004053
     21        6           0.000010523   -0.000004805    0.000000715
     22        6          -0.000013085    0.000000938    0.000002360
     23        6           0.000001641   -0.000001093    0.000000321
     24        6           0.000003265    0.000002376    0.000000924
     25        6          -0.000003762   -0.000001784    0.000001019
     26        6           0.000000230   -0.000000673   -0.000002417
     27        6          -0.000001599    0.000003328   -0.000003899
     28        6           0.000012437    0.000008467    0.000004180
     29        6           0.000000376   -0.000004244    0.000003303
     30        6          -0.000003132   -0.000000188    0.000002335
     31        6           0.000000807    0.000000681    0.000000721
     32        6          -0.000000800   -0.000001105    0.000001519
     33        6           0.000003415   -0.000000014    0.000002226
     34        6           0.000001408   -0.000000215   -0.000002254
     35        6          -0.000001548   -0.000000388   -0.000000855
     36        6           0.000002173   -0.000000206    0.000000120
     37        6          -0.000001200   -0.000000503   -0.000001789
     38        6          -0.000003152   -0.000003239    0.000000686
     39        6          -0.000000677   -0.000000550    0.000002222
     40        6           0.000000482    0.000003040   -0.000000979
     41        7          -0.000001232    0.000000699   -0.000003923
     42        7          -0.000013205   -0.000010739   -0.000002913
     43        7           0.000002005    0.000003061   -0.000000190
     44        6          -0.000000653    0.000003495    0.000004483
     45        6           0.000001386   -0.000000016   -0.000005068
     46        6          -0.000002501   -0.000001178    0.000004326
     47        6           0.000004837    0.000000684   -0.000004126
     48        6          -0.000002471   -0.000000336    0.000003444
     49        6          -0.000001071   -0.000002450   -0.000004297
     50        6           0.000000876    0.000002881    0.000004736
     51        6          -0.000000573    0.000000388   -0.000000668
     52        6           0.000000292   -0.000000566   -0.000002129
     53        6          -0.000000798    0.000003870    0.000003057
     54        6           0.000001719   -0.000003546   -0.000003785
     55        6           0.000000799    0.000001067    0.000001062
     56        6           0.000001107   -0.000000578   -0.000002078
     57        6           0.000000302    0.000001474    0.000000133
     58        6          -0.000000218    0.000000156   -0.000000188
     59        6           0.000000879    0.000000060    0.000000228
     60        6           0.000000045    0.000000267    0.000000901
     61        6           0.000000286   -0.000000031    0.000000278
     62        6           0.000001288   -0.000000315    0.000000469
     63        6          -0.000001239    0.000000028    0.000001685
     64        6          -0.000001055   -0.000001724   -0.000001830
     65        6           0.000001721    0.000000330   -0.000000303
     66        6          -0.000000605    0.000000844   -0.000000231
     67        6           0.000000555   -0.000001068   -0.000000932
     68        6           0.000001231    0.000000136    0.000000020
     69        6          -0.000001111   -0.000000244    0.000000283
     70        6           0.000000955   -0.000001662    0.000000411
     71        6           0.000000468    0.000001656    0.000001548
     72        6          -0.000000712    0.000002109    0.000001376
     73        6          -0.000000426   -0.000001191    0.000000612
     74        6           0.000000788    0.000000253    0.000000088
     75        6          -0.000000596    0.000000001    0.000001013
     76        6          -0.000000510   -0.000000638    0.000000095
     77        6           0.000000260    0.000000805   -0.000000742
     78        6          -0.000001798   -0.000000155   -0.000000247
     79        6           0.000000994   -0.000001528   -0.000000986
     80        8           0.000004476   -0.000002360    0.000002960
     81       15          -0.000002387    0.000002224   -0.000006323
     82        8          -0.000009132    0.000006912    0.000030097
     83        8           0.000002418    0.000000645    0.000001749
     84        6           0.000006928   -0.000009181   -0.000043036
     85        6          -0.000000145    0.000001894    0.000005336
     86        6          -0.000002385    0.000001519   -0.000002637
     87        6           0.000001180    0.000000547    0.000001037
     88        1          -0.000000297   -0.000000314   -0.000000178
     89        1          -0.000000484    0.000000310   -0.000000738
     90        1           0.000000480    0.000000240   -0.000000372
     91        1          -0.000000381   -0.000000751   -0.000001852
     92        1          -0.000000093   -0.000000276    0.000001409
     93        1           0.000000523    0.000000532   -0.000002799
     94        1           0.000000696   -0.000000764   -0.000000838
     95        1          -0.000000152   -0.000000601    0.000001215
     96        1           0.000000552   -0.000000138   -0.000000691
     97        1           0.000000340    0.000000903    0.000000934
     98        1          -0.000001110   -0.000001084    0.000000270
     99        1          -0.000000965   -0.000000487   -0.000001077
    100        1           0.000001290    0.000000215    0.000000057
    101        1           0.000000224   -0.000000662    0.000000097
    102        1          -0.000000688    0.000000317   -0.000000329
    103        1          -0.000000805    0.000000211    0.000000450
    104        1           0.000000746   -0.000000045   -0.000000032
    105        1          -0.000000603    0.000000018   -0.000000222
    106        1           0.000000614    0.000000567    0.000000271
    107        1           0.000000496    0.000000384   -0.000000659
    108        1          -0.000000046   -0.000000441    0.000000405
    109        1          -0.000000575    0.000000169    0.000000065
    110        1          -0.000000120   -0.000000433   -0.000000191
    111        1          -0.000000242   -0.000000134    0.000000064
    112        1           0.000000682   -0.000000365    0.000000943
    113        1           0.000000420    0.000001041   -0.000000667
    114        1          -0.000000021   -0.000000179   -0.000000232
    115        1          -0.000000384   -0.000000111    0.000000112
    116        1           0.000000116   -0.000000614   -0.000000077
    117        1           0.000000183    0.000000574    0.000000010
    118        1          -0.000000498   -0.000000169   -0.000000110
    119        1          -0.000000215    0.000000115   -0.000000041
    120        1           0.000000140   -0.000000468    0.000000959
    121        1           0.000000466    0.000000234   -0.000000789
    122        1          -0.000000274   -0.000000036    0.000000001
    123        1          -0.000000240    0.000000297    0.000000048
    124        1          -0.000000378   -0.000000626    0.000000126
    125        1           0.000000346   -0.000000442    0.000000057
    126        1          -0.000000029    0.000000596   -0.000000070
    127        1           0.000000176    0.000000147   -0.000000092
    128        1          -0.000000519   -0.000000313   -0.000000936
    129        1          -0.000000036   -0.000000193    0.000000787
    130        1           0.000000070    0.000000216   -0.000000044
    131        1           0.000000397    0.000000002   -0.000000060
    132        1          -0.000000420    0.000000435   -0.000000428
    133        1           0.000000651    0.000005041    0.000003809
    134        1          -0.000000893   -0.000002492    0.000010418
    135        1           0.000000575   -0.000000375   -0.000000539
    136        1          -0.000000058   -0.000000523   -0.000000672
    137        1           0.000000616   -0.000000112   -0.000000147
    138        1          -0.000000605   -0.000001001    0.000001274
    139        1           0.000000129   -0.000000106   -0.000000727
    140        1           0.000000098   -0.000000057   -0.000000015
    141        1           0.000000011   -0.000000094   -0.000000118
    142        1           0.000000209    0.000000049   -0.000000113
    143       17           0.000007518   -0.000003228   -0.000002208
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000043036 RMS     0.000005387

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000026354 RMS     0.000002122
 Search for a local minimum.
 Step number  43 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   20   21   22   23   24
                                                     25   26   27   28   29
                                                     30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43
 DE= -6.51D-08 DEPred=-5.48D-08 R= 1.19D+00
 Trust test= 1.19D+00 RLast= 3.77D-03 DXMaxT set to 6.22D-01
 ITU=  0  0  0  1  1  1  0  1  0  0  0  0  0  0  1  0  1 -1  1  1
 ITU=  1  1  1  1 -1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
 ITU=  0  1  0
     Eigenvalues ---    0.00028   0.00127   0.00217   0.00391   0.00419
     Eigenvalues ---    0.00461   0.00692   0.00774   0.00798   0.01076
     Eigenvalues ---    0.01604   0.01963   0.02431   0.02501   0.02613
     Eigenvalues ---    0.02642   0.02676   0.02706   0.02708   0.02713
     Eigenvalues ---    0.02717   0.02722   0.02726   0.02727   0.02730
     Eigenvalues ---    0.02736   0.02747   0.02755   0.02762   0.02771
     Eigenvalues ---    0.02772   0.02774   0.02775   0.02779   0.02783
     Eigenvalues ---    0.02785   0.02786   0.02789   0.02790   0.02791
     Eigenvalues ---    0.02791   0.02792   0.02792   0.02793   0.02794
     Eigenvalues ---    0.02796   0.02798   0.02801   0.02802   0.02803
     Eigenvalues ---    0.02804   0.02804   0.02807   0.02808   0.02808
     Eigenvalues ---    0.02808   0.02809   0.02811   0.02812   0.02816
     Eigenvalues ---    0.02817   0.02817   0.02818   0.02818   0.02819
     Eigenvalues ---    0.02819   0.02821   0.02829   0.02830   0.02833
     Eigenvalues ---    0.02844   0.02844   0.02845   0.02845   0.02847
     Eigenvalues ---    0.02847   0.02849   0.02852   0.02860   0.02868
     Eigenvalues ---    0.02868   0.02868   0.02869   0.02872   0.02872
     Eigenvalues ---    0.02873   0.02876   0.02877   0.02878   0.02878
     Eigenvalues ---    0.02878   0.02879   0.02881   0.02884   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02886   0.02886
     Eigenvalues ---    0.02887   0.02889   0.02892   0.02893   0.02894
     Eigenvalues ---    0.02896   0.02897   0.02898   0.02899   0.02899
     Eigenvalues ---    0.02899   0.02907   0.02908   0.02910   0.02931
     Eigenvalues ---    0.02942   0.02944   0.02968   0.03024   0.03025
     Eigenvalues ---    0.03025   0.03043   0.03111   0.03131   0.03133
     Eigenvalues ---    0.03135   0.03149   0.03172   0.03259   0.03408
     Eigenvalues ---    0.03852   0.03986   0.04665   0.05370   0.05564
     Eigenvalues ---    0.05579   0.05619   0.05726   0.05746   0.06019
     Eigenvalues ---    0.07517   0.08530   0.09419   0.10516   0.10887
     Eigenvalues ---    0.11429   0.11681   0.12628   0.13647   0.15229
     Eigenvalues ---    0.15597   0.15802   0.15878   0.15928   0.15950
     Eigenvalues ---    0.15966   0.15976   0.15986   0.15987   0.15987
     Eigenvalues ---    0.15988   0.15988   0.15993   0.15996   0.15996
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15997   0.15998
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16002   0.16003   0.16005
     Eigenvalues ---    0.16010   0.16013   0.16042   0.16096   0.16111
     Eigenvalues ---    0.16283   0.16790   0.17297   0.18671   0.20007
     Eigenvalues ---    0.20868   0.21997   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22002   0.22004
     Eigenvalues ---    0.22010   0.22353   0.22407   0.22501   0.22599
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22604   0.22693
     Eigenvalues ---    0.22945   0.22965   0.22996   0.23145   0.23252
     Eigenvalues ---    0.23391   0.23515   0.23717   0.23950   0.23988
     Eigenvalues ---    0.24206   0.24457   0.24477   0.24486   0.24489
     Eigenvalues ---    0.24491   0.24534   0.24729   0.24898   0.24977
     Eigenvalues ---    0.24982   0.24985   0.24985   0.24986   0.24987
     Eigenvalues ---    0.24991   0.24997   0.24998   0.25000   0.25000
     Eigenvalues ---    0.25002   0.25003   0.25012   0.25024   0.25043
     Eigenvalues ---    0.25103   0.25118   0.25413   0.26367   0.27885
     Eigenvalues ---    0.28248   0.28844   0.29788   0.29807   0.30188
     Eigenvalues ---    0.32017   0.32099   0.32129   0.32142   0.32148
     Eigenvalues ---    0.32172   0.32191   0.32220   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33297   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33458   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33585   0.33587   0.33595   0.33634   0.33639
     Eigenvalues ---    0.33639   0.33643   0.33648   0.33663   0.33701
     Eigenvalues ---    0.33723   0.33746   0.33819   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33921   0.33940
     Eigenvalues ---    0.33947   0.33955   0.33961   0.34452   0.34481
     Eigenvalues ---    0.34877   0.34920   0.35054   0.37801   0.39382
     Eigenvalues ---    0.41719   0.42460   0.44426   0.44430   0.44439
     Eigenvalues ---    0.44451   0.45269   0.45951   0.48668   0.48894
     Eigenvalues ---    0.48944   0.48975   0.49140   0.49351   0.49702
     Eigenvalues ---    0.49798   0.49815   0.49841   0.49870   0.49914
     Eigenvalues ---    0.49996   0.50147   0.50225   0.50390   0.50408
     Eigenvalues ---    0.50611   0.50614   0.50617   0.51415   0.51620
     Eigenvalues ---    0.51960   0.52407   0.52452   0.52785   0.53387
     Eigenvalues ---    0.54032   0.54112   0.54199   0.54200   0.54206
     Eigenvalues ---    0.54222   0.54450   0.54916   0.55123   0.55292
     Eigenvalues ---    0.55329   0.55343   0.55357   0.55391   0.55417
     Eigenvalues ---    0.55423   0.55483   0.55545   0.55622   0.55696
     Eigenvalues ---    0.55706   0.55757   0.55806   0.55939   0.55948
     Eigenvalues ---    0.56147   0.56152   0.56153   0.56192   0.56225
     Eigenvalues ---    0.56269   0.56305   0.56388   0.56632   0.56662
     Eigenvalues ---    0.56664   0.56670   0.56673   0.56682   0.56847
     Eigenvalues ---    0.56899   0.56914   0.57061   0.57154   0.57174
     Eigenvalues ---    0.57181   0.57191   0.57196   0.57211   0.57631
     Eigenvalues ---    0.61768   0.62473   0.65718   0.66054   0.67648
     Eigenvalues ---    0.67657   0.67659   0.68600   0.69695   0.70073
     Eigenvalues ---    0.71461   0.74933   0.80042
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    43   42   41   40   39   38   37   36   35   34
 RFO step:  Lambda=-4.04255433D-08.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 DIIS inversion failure, remove point   4.
 RFO-DIIS uses    3 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.46218   -0.44514   -0.01705    0.00000    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00072832 RMS(Int)=  0.00000003
 Iteration  2 RMS(Cart)=  0.00000012 RMS(Int)=  0.00000001
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64724   0.00000  -0.00001   0.00001   0.00000   2.64724
    R2        2.66041  -0.00000  -0.00000  -0.00000  -0.00000   2.66040
    R3        2.80238  -0.00000  -0.00001  -0.00000  -0.00001   2.80237
    R4        2.64593  -0.00000   0.00001  -0.00001  -0.00000   2.64593
    R5        2.04881   0.00000  -0.00000   0.00000  -0.00000   2.04881
    R6        2.66491  -0.00000   0.00001  -0.00000   0.00001   2.66492
    R7        2.79049  -0.00000   0.00000   0.00000   0.00000   2.79049
    R8        2.64661   0.00000   0.00001  -0.00000   0.00001   2.64662
    R9        2.78150   0.00000  -0.00002   0.00001  -0.00000   2.78150
   R10        2.62027   0.00000  -0.00001   0.00000  -0.00000   2.62027
   R11        2.04843  -0.00000  -0.00000  -0.00000  -0.00000   2.04843
   R12        2.05097   0.00000   0.00000   0.00000   0.00000   2.05097
   R13        2.67860   0.00000   0.00001   0.00000   0.00001   2.67861
   R14        2.64446  -0.00001  -0.00000  -0.00001  -0.00002   2.64444
   R15        2.84435  -0.00000  -0.00000  -0.00002  -0.00002   2.84433
   R16        2.64382  -0.00000  -0.00001  -0.00001  -0.00002   2.64381
   R17        2.84991  -0.00002  -0.00000  -0.00005  -0.00005   2.84986
   R18        2.70492  -0.00001   0.00009  -0.00007   0.00002   2.70494
   R19        3.90325   0.00000  -0.00008   0.00012   0.00004   3.90329
   R20        2.43180   0.00000   0.00000   0.00001   0.00001   2.43181
   R21        2.64713   0.00001   0.00001   0.00001   0.00002   2.64715
   R22        2.04793   0.00000  -0.00000   0.00000  -0.00000   2.04793
   R23        2.64934  -0.00001  -0.00001  -0.00001  -0.00002   2.64932
   R24        2.80110  -0.00000   0.00001  -0.00001   0.00000   2.80110
   R25        2.62503   0.00001   0.00001   0.00001   0.00001   2.62505
   R26        2.05044  -0.00000  -0.00000  -0.00000  -0.00000   2.05044
   R27        2.04116  -0.00000   0.00000   0.00000   0.00000   2.04117
   R28        2.69791   0.00002  -0.00001   0.00003   0.00002   2.69794
   R29        3.32084   0.00000   0.00000   0.00002   0.00002   3.32086
   R30        5.34943  -0.00001   0.00003   0.00001   0.00004   5.34947
   R31        2.67059  -0.00001   0.00000  -0.00001  -0.00001   2.67058
   R32        2.65263  -0.00000  -0.00001  -0.00001  -0.00001   2.65262
   R33        2.61763   0.00002   0.00001   0.00003   0.00004   2.61767
   R34        2.64939  -0.00001  -0.00001  -0.00001  -0.00001   2.64937
   R35        2.62552   0.00000   0.00000   0.00001   0.00001   2.62553
   R36        2.03790   0.00000   0.00000  -0.00000   0.00000   2.03790
   R37        2.65809  -0.00000  -0.00000  -0.00000  -0.00001   2.65808
   R38        2.05125   0.00000   0.00000   0.00000   0.00000   2.05125
   R39        2.63427   0.00001   0.00001   0.00001   0.00002   2.63428
   R40        2.80135  -0.00000  -0.00001  -0.00000  -0.00001   2.80134
   R41        2.04949  -0.00000  -0.00000   0.00000  -0.00000   2.04949
   R42        2.65587   0.00000  -0.00000   0.00000  -0.00000   2.65587
   R43        2.65571   0.00000   0.00000   0.00000   0.00000   2.65571
   R44        2.65546   0.00000  -0.00000   0.00000   0.00000   2.65547
   R45        2.65552   0.00000   0.00000   0.00000   0.00001   2.65553
   R46        2.65545   0.00000  -0.00000   0.00000   0.00000   2.65545
   R47        2.65557   0.00000   0.00000   0.00000   0.00000   2.65557
   R48        2.62904  -0.00000   0.00001  -0.00000   0.00000   2.62905
   R49        2.05131  -0.00000  -0.00000  -0.00000  -0.00000   2.05131
   R50        2.64730  -0.00000  -0.00001  -0.00000  -0.00001   2.64729
   R51        2.05000   0.00000   0.00000   0.00000   0.00000   2.05000
   R52        2.64700  -0.00000  -0.00001  -0.00000  -0.00001   2.64699
   R53        2.67983   0.00001   0.00003   0.00001   0.00004   2.67986
   R54        2.62933  -0.00000   0.00000  -0.00000   0.00000   2.62933
   R55        2.04998   0.00000   0.00000   0.00000   0.00000   2.04999
   R56        2.05148  -0.00000  -0.00000   0.00000  -0.00000   2.05148
   R57        2.62921   0.00000   0.00000   0.00000   0.00000   2.62921
   R58        2.05123  -0.00000   0.00000  -0.00000   0.00000   2.05123
   R59        2.64698  -0.00000   0.00000  -0.00000  -0.00000   2.64697
   R60        2.05001   0.00000  -0.00000   0.00000   0.00000   2.05001
   R61        2.64697   0.00000   0.00000  -0.00000   0.00000   2.64697
   R62        2.68019   0.00000  -0.00000   0.00001   0.00001   2.68019
   R63        2.62917  -0.00000   0.00000  -0.00000  -0.00000   2.62917
   R64        2.05003   0.00000  -0.00000   0.00000   0.00000   2.05003
   R65        2.05143   0.00000   0.00000   0.00000   0.00000   2.05143
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   D330      -3.12982  -0.00000  -0.00003  -0.00000  -0.00003  -3.12985
   D331       0.00663  -0.00000  -0.00002   0.00000  -0.00002   0.00661
   D332      -0.00742   0.00000   0.00001   0.00001   0.00002  -0.00740
   D333       3.13099   0.00000   0.00002   0.00000   0.00003   3.13102
   D334       3.13930   0.00000   0.00001   0.00000   0.00002   3.13932
   D335      -0.00547   0.00000   0.00002   0.00000   0.00002  -0.00545
   D336      -0.00477  -0.00000   0.00001  -0.00001   0.00001  -0.00477
   D337       3.12998   0.00000   0.00002  -0.00000   0.00002   3.13000
   D338       3.13999  -0.00000   0.00000  -0.00000   0.00000   3.13999
   D339      -0.00844   0.00000   0.00001   0.00000   0.00001  -0.00843
   D340      -0.00472  -0.00000   0.00001  -0.00001   0.00001  -0.00471
   D341       3.14050  -0.00000   0.00000  -0.00000   0.00000   3.14050
   D342       3.12920   0.00000   0.00002   0.00000   0.00002   3.12922
   D343      -0.00876   0.00000   0.00001   0.00000   0.00001  -0.00875
   D344      -0.00765   0.00000   0.00002   0.00001   0.00002  -0.00763
   D345       3.13952   0.00000   0.00001   0.00001   0.00002   3.13954
   D346       3.13029   0.00000   0.00002   0.00000   0.00003   3.13032
   D347      -0.00571   0.00000   0.00002   0.00000   0.00003  -0.00569
   D348       0.00689   0.00000  -0.00001   0.00000  -0.00001   0.00688
   D349      -3.12943  -0.00000  -0.00002  -0.00000  -0.00002  -3.12945
   D350      -3.14030   0.00000  -0.00001   0.00000  -0.00001  -3.14031
   D351       0.00657  -0.00000  -0.00002  -0.00000  -0.00002   0.00654
   D352       0.00663   0.00000   0.00000  -0.00000   0.00000   0.00663
   D353      -3.14008   0.00000  -0.00000   0.00000  -0.00000  -3.14008
   D354      -3.12988  -0.00000   0.00000  -0.00001  -0.00001  -3.12989
   D355       0.00660  -0.00000  -0.00001  -0.00000  -0.00001   0.00659
   D356      -0.00738   0.00000  -0.00000   0.00001   0.00001  -0.00737
   D357       3.13105   0.00000   0.00000   0.00001   0.00001   3.13106
   D358       3.13931   0.00000   0.00001   0.00001   0.00001   3.13932
   D359      -0.00544   0.00000   0.00001   0.00000   0.00001  -0.00543
   D360      -0.00466  -0.00000  -0.00000  -0.00000  -0.00000  -0.00466
   D361       3.13021   0.00000  -0.00001   0.00001   0.00000   3.13021
   D362       3.14008   0.00000  -0.00000   0.00000  -0.00000   3.14008
   D363      -0.00823   0.00000  -0.00001   0.00001   0.00000  -0.00823
   D364      -0.00469  -0.00000   0.00000  -0.00000   0.00000  -0.00469
   D365       3.14053   0.00000  -0.00000   0.00000  -0.00000   3.14053
   D366       3.12928   0.00000  -0.00000   0.00001   0.00000   3.12928
   D367      -0.00869   0.00000  -0.00001   0.00001   0.00000  -0.00869
   D368      -0.00758   0.00000  -0.00000   0.00001   0.00001  -0.00757
   D369       3.13952   0.00000   0.00001   0.00001   0.00001   3.13954
   D370       3.13038   0.00000   0.00000   0.00001   0.00001   3.13039
   D371      -0.00571   0.00000   0.00001   0.00000   0.00001  -0.00569
   D372       0.00685   0.00000   0.00000  -0.00000   0.00000   0.00685
   D373      -3.12957  -0.00000  -0.00000  -0.00000  -0.00001  -3.12957
   D374      -3.14027   0.00000  -0.00000   0.00000  -0.00000  -3.14027
   D375       0.00650   0.00000  -0.00001  -0.00000  -0.00001   0.00649
   D376      -0.00641  -0.00000  -0.00000  -0.00000  -0.00000  -0.00641
   D377       3.14021  -0.00000   0.00000  -0.00000   0.00000   3.14021
   D378       3.13021   0.00000   0.00000   0.00000   0.00001   3.13022
   D379      -0.00636   0.00000   0.00001   0.00000   0.00002  -0.00634
   D380       0.00714  -0.00000  -0.00000  -0.00001  -0.00001   0.00713
   D381      -3.13122  -0.00000  -0.00001  -0.00001  -0.00001  -3.13123
   D382      -3.13946  -0.00000  -0.00001  -0.00001  -0.00002  -3.13948
   D383       0.00537  -0.00000  -0.00001  -0.00001  -0.00002   0.00535
   D384       0.00447   0.00000  -0.00000   0.00000  -0.00000   0.00447
   D385      -3.13053  -0.00000  -0.00000  -0.00001  -0.00001  -3.13053
   D386      -3.14035  -0.00000   0.00000  -0.00000   0.00000  -3.14035
   D387       0.00784  -0.00000   0.00000  -0.00001  -0.00001   0.00784
   D388       0.00448   0.00000  -0.00000   0.00000  -0.00000   0.00448
   D389      -3.14026  -0.00000   0.00000  -0.00000   0.00000  -3.14026
   D390      -3.13050  -0.00000   0.00001  -0.00000   0.00000  -3.13050
   D391       0.00794  -0.00000   0.00001  -0.00001   0.00000   0.00794
   D392       0.00715  -0.00000   0.00000  -0.00001  -0.00001   0.00714
   D393      -3.13940  -0.00000  -0.00001  -0.00001  -0.00001  -3.13942
   D394      -3.13128  -0.00000  -0.00000  -0.00001  -0.00001  -3.13129
   D395       0.00535  -0.00000  -0.00001  -0.00000  -0.00001   0.00534
   D396      -0.00641  -0.00000  -0.00000  -0.00000  -0.00000  -0.00642
   D397       3.13022  -0.00000   0.00000   0.00000   0.00000   3.13023
   D398       3.14015  -0.00000   0.00000  -0.00000   0.00000   3.14015
   D399      -0.00640  -0.00000   0.00001   0.00000   0.00001  -0.00639
   D400       1.63552  -0.00000  -0.00013  -0.00014  -0.00027   1.63525
   D401      -0.62791  -0.00000  -0.00018  -0.00015  -0.00033  -0.62824
   D402      -2.84877  -0.00000  -0.00014  -0.00015  -0.00029  -2.84906
   D403      -3.09577   0.00000   0.00006   0.00016   0.00022  -3.09554
   D404      -0.92093   0.00001   0.00008   0.00018   0.00026  -0.92067
   D405       1.29795   0.00000   0.00006   0.00017   0.00024   1.29819
   D406       2.78591  -0.00000   0.00003   0.00017   0.00020   2.78611
   D407      -1.38568  -0.00000   0.00003   0.00017   0.00020  -1.38547
   D408       0.66186   0.00000   0.00002   0.00020   0.00022   0.66209
   D409       2.99930   0.00000   0.00018  -0.00003   0.00015   2.99945
   D410      -1.17416   0.00000   0.00019  -0.00004   0.00015  -1.17402
   D411       0.88311   0.00000   0.00019  -0.00004   0.00014   0.88325
   D412       3.11898   0.00000  -0.00001   0.00003   0.00001   3.11900
   D413      -1.07744   0.00000  -0.00001   0.00003   0.00002  -1.07742
   D414       1.03306   0.00000  -0.00001   0.00002   0.00001   1.03306
   D415       1.05369  -0.00000  -0.00001  -0.00001  -0.00002   1.05367
   D416       3.14045  -0.00000  -0.00000  -0.00002  -0.00002   3.14043
   D417      -1.03224  -0.00000  -0.00001  -0.00002  -0.00003  -1.03227
   D418      -1.08197   0.00000   0.00001   0.00004   0.00005  -1.08193
   D419       1.00479   0.00000   0.00002   0.00003   0.00005   1.00484
   D420       3.11529   0.00000   0.00001   0.00003   0.00004   3.11533
   D421       1.25257   0.00000   0.00013  -0.00003   0.00010   1.25267
   D422      -2.96891   0.00000   0.00014  -0.00002   0.00012  -2.96879
   D423      -0.79552  -0.00000   0.00013  -0.00009   0.00004  -0.79548
   D424      -1.41858  -0.00000   0.00002  -0.00008  -0.00006  -1.41864
   D425       2.79263  -0.00000  -0.00000  -0.00007  -0.00008   2.79255
   D426       0.62218   0.00000   0.00001  -0.00002  -0.00001   0.62218
   D427       1.04669   0.00000   0.00005  -0.00001   0.00004   1.04672
   D428       3.13639   0.00000   0.00005  -0.00001   0.00004   3.13643
   D429      -1.05840   0.00000   0.00005  -0.00001   0.00003  -1.05837
   D430      -1.02721  -0.00000   0.00004  -0.00001   0.00003  -1.02719
   D431       1.06249  -0.00000   0.00004  -0.00001   0.00003   1.06252
   D432      -3.13230  -0.00000   0.00004  -0.00001   0.00003  -3.13227
   D433       3.12696   0.00000   0.00004  -0.00001   0.00004   3.12699
   D434      -1.06652   0.00000   0.00004  -0.00001   0.00004  -1.06649
   D435       1.02187   0.00000   0.00004  -0.00000   0.00003   1.02191
   D436      -1.31830  -0.00000  -0.00033  -0.00001  -0.00034  -1.31863
   D437      -1.22493   0.00000  -0.00022  -0.00001  -0.00023  -1.22515
   D438       0.43143   0.00000  -0.00005   0.00004  -0.00001   0.43142
   D439       1.11045  -0.00000  -0.00025  -0.00007  -0.00031   1.11013
   D440       0.92892  -0.00000  -0.00016  -0.00006  -0.00022   0.92870
   D441      -0.39550  -0.00000   0.00002  -0.00002   0.00000  -0.39550
         Item               Value     Threshold  Converged?
 Maximum Force            0.000026     0.000450     YES
 RMS     Force            0.000002     0.000300     YES
 Maximum Displacement     0.004060     0.001800     NO 
 RMS     Displacement     0.000728     0.001200     YES
 Predicted change in Energy=-2.020509D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.835064    2.897497    0.557451
      2          6           0       -2.067383    1.522060    0.686304
      3          6           0       -1.018695    0.595145    0.725681
      4          6           0        0.307755    1.071135    0.674031
      5          6           0        0.549482    2.441328    0.513969
      6          6           0       -0.503244    3.341700    0.452985
      7          6           0       -1.236146   -0.865359    0.712392
      8          6           0       -0.169522   -1.743601    1.028930
      9          6           0        1.120156   -1.157978    1.538113
     10          6           0        1.433728    0.136056    0.829977
     11          6           0       -2.439038   -1.403852    0.241931
     12          6           0       -2.618741   -2.778532    0.041347
     13          6           0       -1.520284   -3.618571    0.272038
     14          6           0       -0.319608   -3.105528    0.746178
     15          7           0        2.229634   -2.048801    1.694220
     16          6           0        3.523787   -1.639474    1.251601
     17          6           0        3.672053   -0.376855    0.634374
     18          7           0        2.608712    0.489902    0.442410
     19          6           0        4.663690   -2.452615    1.350674
     20          6           0        5.895321   -2.014768    0.879790
     21          6           0        6.061669   -0.754893    0.276833
     22          6           0        4.923845    0.042267    0.162226
     23          6           0       -2.963084    3.859817    0.531954
     24          6           0       -3.912145   -3.313078   -0.447029
     25          6           0        7.382257   -0.299626   -0.219455
     26          6           0       -3.962537   -4.383681   -1.355813
     27          6           0       -5.176093   -4.879928   -1.821155
     28          6           0       -6.382577   -4.327570   -1.371959
     29          6           0       -6.349463   -3.266431   -0.458214
     30          6           0       -5.130718   -2.764231   -0.012789
     31          6           0       -2.855510    5.117755    1.149405
     32          6           0       -3.913236    6.021562    1.138451
     33          6           0       -5.110560    5.697750    0.487626
     34          6           0       -5.230231    4.452090   -0.141677
     35          6           0       -4.173781    3.547331   -0.109567
     36          6           0        8.294819   -1.201640   -0.792344
     37          6           0        9.531553   -0.776087   -1.267489
     38          6           0        9.899452    0.571432   -1.166913
     39          6           0        9.004445    1.482025   -0.591195
     40          6           0        7.763600    1.050161   -0.133276
     41          7           0       -6.188088    6.619697    0.465011
     42          7           0       -7.621897   -4.836680   -1.836680
     43          7           0       11.162881    1.008491   -1.642296
     44          6           0       -8.028087   -6.176655   -1.788246
     45          6           0       -9.326150   -6.284791   -2.348751
     46          6           0       -9.720849   -4.952360   -2.755847
     47          6           0       -8.648576   -4.085786   -2.424117
     48          6           0       -7.501380    6.356275    0.875517
     49          6           0       -8.282748    7.526248    0.698041
     50          6           0       -7.403796    8.540398    0.154209
     51          6           0       -6.121790    7.948159    0.025191
     52          6           0       11.379809    2.040726   -2.563865
     53          6           0       12.774174    2.176108   -2.784176
     54          6           0       13.428556    1.183536   -1.957544
     55          6           0       12.405915    0.481960   -1.269546
     56          6           0      -10.863882   -4.431006   -3.372750
     57          6           0      -10.921067   -3.069528   -3.654764
     58          6           0       -9.843202   -2.227505   -3.332947
     59          6           0       -8.694247   -2.720255   -2.718178
     60          6           0       -7.364401   -7.287758   -1.260771
     61          6           0       -8.012663   -8.519368   -1.321999
     62          6           0       -9.292417   -8.647019   -1.887942
     63          6           0       -9.954465   -7.534451   -2.398196
     64          6           0       -7.592222    9.870349   -0.239009
     65          6           0       -6.515264   10.583573   -0.756627
     66          6           0       -5.255191    9.976594   -0.891599
     67          6           0       -5.040048    8.654875   -0.507420
     68          6           0       -8.044697    5.189846    1.421026
     69          6           0       -9.393728    5.203995    1.768467
     70          6           0      -10.186126    6.349826    1.585069
     71          6           0       -9.635992    7.512972    1.055080
     72          6           0       14.767936    0.843179   -1.735751
     73          6           0       15.069020   -0.175394   -0.836643
     74          6           0       14.043934   -0.850492   -0.152525
     75          6           0       12.702831   -0.532341   -0.354984
     76          6           0       10.451516    2.836118   -3.241347
     77          6           0       10.941906    3.788225   -4.132237
     78          6           0       12.320957    3.945676   -4.351606
     79          6           0       13.239849    3.141308   -3.684510
     80          8           0        0.756343   -3.513670    3.477846
     81         15           0        2.089382   -3.345629    2.871824
     82          8           0        3.310067   -3.140928    3.892048
     83          8           0        2.624931   -4.569106    1.970688
     84          6           0        3.139867   -2.380981    5.130247
     85          6           0        4.254658   -2.787997    6.071933
     86          6           0        2.626029   -5.905331    2.554426
     87          6           0        2.975075   -6.889854    1.456661
     88          1           0       -3.088861    1.175692    0.796171
     89          1           0        1.577379    2.779897    0.452166
     90          1           0       -0.298433    4.398876    0.317475
     91          1           0       -3.237473   -0.731610   -0.049675
     92          1           0       -1.607947   -4.686216    0.099476
     93          1           0        0.511853   -3.783931    0.869225
     94          1           0        4.602569   -3.434266    1.792939
     95          1           0        6.754011   -2.667042    1.004062
     96          1           0        4.957198    1.011372   -0.323523
     97          1           0       -3.038287   -4.807080   -1.736366
     98          1           0       -5.195938   -5.682549   -2.550693
     99          1           0       -7.280947   -2.855119   -0.084094
    100          1           0       -5.124092   -1.961005    0.717489
    101          1           0       -1.945653    5.375424    1.682322
    102          1           0       -3.825520    6.973068    1.652038
    103          1           0       -6.144269    4.208349   -0.672694
    104          1           0       -4.275241    2.598686   -0.627488
    105          1           0        8.017226   -2.245028   -0.905777
    106          1           0       10.209214   -1.480313   -1.738482
    107          1           0        9.295270    2.521866   -0.485782
    108          1           0        7.094132    1.765796    0.333706
    109          1           0      -11.693187   -5.083002   -3.631787
    110          1           0      -11.802812   -2.652936   -4.131678
    111          1           0       -9.902670   -1.169331   -3.569942
    112          1           0       -7.862925   -2.065128   -2.483099
    113          1           0       -6.381633   -7.196521   -0.811991
    114          1           0       -7.516448   -9.397560   -0.919484
    115          1           0       -9.768852   -9.621895   -1.921635
    116          1           0      -10.948425   -7.632204   -2.825324
    117          1           0       -8.568612   10.337067   -0.145126
    118          1           0       -6.648486   11.616244   -1.063808
    119          1           0       -4.429288   10.546588   -1.306875
    120          1           0       -4.066981    8.191306   -0.624885
    121          1           0       -7.437987    4.304810    1.576530
    122          1           0       -9.838769    4.309046    2.193268
    123          1           0      -11.234830    6.326648    1.864690
    124          1           0      -10.246660    8.401725    0.924031
    125          1           0       15.561630    1.371553   -2.256196
    126          1           0       16.104050   -0.449332   -0.657158
    127          1           0       14.299540   -1.636095    0.552481
    128          1           0       11.918440   -1.051250    0.184568
    129          1           0        9.385414    2.714399   -3.085692
    130          1           0       10.240006    4.419117   -4.669613
    131          1           0       12.669820    4.698787   -5.051352
    132          1           0       14.305181    3.256710   -3.862685
    133          1           0        3.182606   -1.318215    4.879809
    134          1           0        2.150896   -2.600654    5.539019
    135          1           0        4.170925   -2.219383    7.003428
    136          1           0        4.195801   -3.853308    6.312510
    137          1           0        5.234145   -2.583157    5.630923
    138          1           0        3.363018   -5.926941    3.363994
    139          1           0        1.635728   -6.101344    2.975997
    140          1           0        3.960302   -6.673047    1.034901
    141          1           0        2.989592   -7.905424    1.864371
    142          1           0        2.237194   -6.851667    0.650813
    143         17           0        0.733174   -0.359882    3.403512
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177744           0.0074047           0.0058221
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13524.2764366310 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.75D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000038   -0.000005    0.000030 Ang=  -0.01 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -4306.68069895     A.U. after    6 cycles
            NFock=  6  Conv=0.36D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001910    0.000000746   -0.000000007
      2        6           0.000000681   -0.000001942    0.000001954
      3        6          -0.000001664    0.000004119    0.000001172
      4        6          -0.000006674    0.000000520   -0.000006648
      5        6           0.000001877    0.000000047    0.000001222
      6        6          -0.000002155   -0.000000494    0.000000877
      7        6          -0.000001141   -0.000004259   -0.000001436
      8        6           0.000001817    0.000004130    0.000006055
      9        6           0.000020110    0.000001590    0.000001715
     10        6           0.000005969   -0.000020137    0.000001622
     11        6           0.000002225    0.000005594   -0.000001045
     12        6          -0.000000526   -0.000005235   -0.000001263
     13        6          -0.000003077   -0.000000356   -0.000001162
     14        6           0.000001882    0.000002441    0.000000921
     15        7          -0.000039718    0.000001083   -0.000005248
     16        6           0.000010535    0.000013238    0.000003470
     17        6           0.000011958   -0.000010176    0.000001293
     18        7          -0.000008350    0.000010353   -0.000000255
     19        6          -0.000002335   -0.000001169    0.000000280
     20        6           0.000000669    0.000002338   -0.000001774
     21        6           0.000002424   -0.000001613   -0.000000011
     22        6          -0.000003519    0.000000710    0.000001222
     23        6          -0.000002394    0.000000926    0.000000038
     24        6           0.000001764    0.000001725    0.000000972
     25        6          -0.000000869    0.000000435    0.000000531
     26        6          -0.000000121   -0.000000182   -0.000002472
     27        6           0.000000228    0.000001321   -0.000001229
     28        6           0.000004620    0.000003684    0.000001673
     29        6           0.000000250   -0.000001421    0.000001114
     30        6          -0.000001400   -0.000000811    0.000001732
     31        6           0.000001293    0.000000510   -0.000000562
     32        6          -0.000000666   -0.000000823    0.000000996
     33        6           0.000002116   -0.000000340    0.000001279
     34        6           0.000000521    0.000000474   -0.000001328
     35        6           0.000000045   -0.000000801    0.000000711
     36        6           0.000001062   -0.000000351    0.000000034
     37        6          -0.000000810   -0.000000526   -0.000001115
     38        6          -0.000002141   -0.000001239    0.000000620
     39        6           0.000000385   -0.000000292    0.000000978
     40        6          -0.000000495    0.000000768   -0.000000550
     41        7          -0.000001002    0.000000444   -0.000002944
     42        7          -0.000004265   -0.000003462    0.000000399
     43        7           0.000001063    0.000001661   -0.000000183
     44        6           0.000000209   -0.000000118   -0.000000032
     45        6           0.000000532    0.000000382   -0.000002552
     46        6          -0.000000766   -0.000000767    0.000002185
     47        6          -0.000000258    0.000000626   -0.000001445
     48        6          -0.000001915   -0.000000652    0.000002508
     49        6           0.000000243   -0.000000392   -0.000001812
     50        6           0.000000410    0.000000388    0.000002385
     51        6          -0.000000104    0.000000758   -0.000000324
     52        6          -0.000000223    0.000000503   -0.000001428
     53        6          -0.000000238    0.000000962    0.000001747
     54        6          -0.000000458   -0.000001153   -0.000001758
     55        6           0.000001524    0.000000103    0.000000821
     56        6           0.000000559   -0.000000819   -0.000000656
     57        6           0.000000473    0.000000948   -0.000000192
     58        6          -0.000000552   -0.000000000   -0.000000049
     59        6           0.000000925   -0.000000131   -0.000000227
     60        6          -0.000000321    0.000000413    0.000001134
     61        6           0.000000066   -0.000000581   -0.000000135
     62        6           0.000000795   -0.000000183    0.000000776
     63        6          -0.000000884    0.000000355    0.000000469
     64        6          -0.000000821   -0.000000838   -0.000000706
     65        6           0.000001245    0.000000172   -0.000000503
     66        6          -0.000000096    0.000000432    0.000000077
     67        6           0.000000005   -0.000001021   -0.000000823
     68        6           0.000000876    0.000000427   -0.000000117
     69        6          -0.000000579   -0.000000371   -0.000000024
     70        6           0.000000758   -0.000001188    0.000000581
     71        6          -0.000000013    0.000000832    0.000000244
     72        6          -0.000000189    0.000001110    0.000000052
     73        6          -0.000000364   -0.000000856    0.000000899
     74        6           0.000000303   -0.000000164   -0.000000038
     75        6          -0.000000744    0.000000591    0.000000236
     76        6           0.000000130   -0.000000892   -0.000000001
     77        6          -0.000000063    0.000000532   -0.000000230
     78        6          -0.000001391   -0.000000280   -0.000000479
     79        6           0.000000750   -0.000000542   -0.000000222
     80        8           0.000001817   -0.000000701    0.000001233
     81       15           0.000001940   -0.000001809   -0.000004149
     82        8          -0.000003276    0.000000729    0.000012913
     83        8          -0.000000331    0.000000658    0.000000976
     84        6          -0.000002266   -0.000000566   -0.000021829
     85        6           0.000001281    0.000000690    0.000002676
     86        6          -0.000001284   -0.000000060   -0.000001228
     87        6           0.000000987    0.000000786    0.000000704
     88        1           0.000000369   -0.000001078   -0.000000099
     89        1          -0.000000303    0.000000306   -0.000001000
     90        1           0.000000488   -0.000000003   -0.000000295
     91        1          -0.000000047    0.000000507   -0.000000740
     92        1          -0.000000038   -0.000000734    0.000001032
     93        1           0.000000325   -0.000000494   -0.000001000
     94        1           0.000000854    0.000000488   -0.000000725
     95        1          -0.000000295   -0.000000306    0.000000705
     96        1          -0.000000067   -0.000000365   -0.000000187
     97        1           0.000000621    0.000000285    0.000000773
     98        1          -0.000000568   -0.000000606   -0.000000138
     99        1          -0.000000388   -0.000000420   -0.000000423
    100        1           0.000000747    0.000000302   -0.000000122
    101        1          -0.000000273   -0.000000292    0.000000278
    102        1          -0.000000445    0.000000297   -0.000000186
    103        1          -0.000000545    0.000000001    0.000000366
    104        1           0.000000041    0.000000184   -0.000000068
    105        1          -0.000000187    0.000000183   -0.000000052
    106        1           0.000000483    0.000000380    0.000000134
    107        1           0.000000314    0.000000265   -0.000000406
    108        1           0.000000163   -0.000000190    0.000000076
    109        1          -0.000000133    0.000000351   -0.000000021
    110        1          -0.000000113   -0.000000398    0.000000206
    111        1           0.000000010   -0.000000117   -0.000000096
    112        1           0.000000373   -0.000000158    0.000000544
    113        1           0.000000493    0.000000582   -0.000000271
    114        1          -0.000000008   -0.000000114    0.000000098
    115        1          -0.000000134    0.000000001   -0.000000207
    116        1           0.000000330   -0.000000389    0.000000225
    117        1           0.000000001    0.000000419   -0.000000068
    118        1          -0.000000403   -0.000000046    0.000000097
    119        1          -0.000000262   -0.000000026   -0.000000142
    120        1           0.000000058   -0.000000355    0.000000768
    121        1           0.000000375    0.000000214   -0.000000553
    122        1          -0.000000163    0.000000091    0.000000100
    123        1          -0.000000256    0.000000165   -0.000000193
    124        1          -0.000000347   -0.000000382    0.000000288
    125        1           0.000000370   -0.000000035    0.000000142
    126        1           0.000000177    0.000000319   -0.000000286
    127        1           0.000000093    0.000000261   -0.000000020
    128        1          -0.000000350   -0.000000074   -0.000000601
    129        1           0.000000022   -0.000000046    0.000000633
    130        1           0.000000100    0.000000068   -0.000000146
    131        1           0.000000280    0.000000237    0.000000071
    132        1          -0.000000183    0.000000361   -0.000000415
    133        1           0.000001452    0.000001925    0.000003633
    134        1           0.000001259   -0.000001684    0.000005524
    135        1           0.000000411   -0.000000059    0.000000177
    136        1          -0.000000095   -0.000000113   -0.000000355
    137        1           0.000000148   -0.000000018    0.000000036
    138        1          -0.000000681   -0.000000575    0.000001041
    139        1          -0.000000069    0.000000100   -0.000000732
    140        1           0.000000105   -0.000000047   -0.000000033
    141        1          -0.000000019    0.000000064   -0.000000007
    142        1           0.000000112   -0.000000015   -0.000000270
    143       17           0.000005023   -0.000000754   -0.000002398
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000039718 RMS     0.000003258

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000018513 RMS     0.000001305
 Search for a local minimum.
 Step number  44 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   20   21   22   23   24
                                                     25   26   27   28   29
                                                     30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
 DE= -1.86D-08 DEPred=-2.02D-08 R= 9.19D-01
 Trust test= 9.19D-01 RLast= 2.01D-03 DXMaxT set to 6.22D-01
 ITU=  0  0  0  0  1  1  1  0  1  0  0  0  0  0  0  1  0  1 -1  1
 ITU=  1  1  1  1  1 -1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  0  0  1  0
     Eigenvalues ---    0.00027   0.00134   0.00212   0.00372   0.00419
     Eigenvalues ---    0.00451   0.00670   0.00781   0.00835   0.01015
     Eigenvalues ---    0.01603   0.01853   0.02302   0.02471   0.02612
     Eigenvalues ---    0.02625   0.02646   0.02693   0.02706   0.02708
     Eigenvalues ---    0.02713   0.02725   0.02726   0.02729   0.02730
     Eigenvalues ---    0.02736   0.02746   0.02755   0.02762   0.02771
     Eigenvalues ---    0.02774   0.02774   0.02776   0.02779   0.02784
     Eigenvalues ---    0.02785   0.02787   0.02789   0.02790   0.02791
     Eigenvalues ---    0.02791   0.02792   0.02792   0.02793   0.02794
     Eigenvalues ---    0.02795   0.02798   0.02801   0.02802   0.02802
     Eigenvalues ---    0.02803   0.02804   0.02807   0.02807   0.02808
     Eigenvalues ---    0.02808   0.02808   0.02811   0.02812   0.02813
     Eigenvalues ---    0.02817   0.02817   0.02818   0.02818   0.02819
     Eigenvalues ---    0.02819   0.02820   0.02821   0.02829   0.02830
     Eigenvalues ---    0.02842   0.02844   0.02845   0.02845   0.02846
     Eigenvalues ---    0.02847   0.02849   0.02851   0.02859   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02870   0.02872   0.02873
     Eigenvalues ---    0.02874   0.02875   0.02877   0.02877   0.02878
     Eigenvalues ---    0.02878   0.02879   0.02882   0.02884   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02886   0.02886
     Eigenvalues ---    0.02887   0.02888   0.02892   0.02893   0.02895
     Eigenvalues ---    0.02896   0.02897   0.02898   0.02899   0.02899
     Eigenvalues ---    0.02900   0.02907   0.02909   0.02910   0.02919
     Eigenvalues ---    0.02935   0.02942   0.02953   0.03024   0.03025
     Eigenvalues ---    0.03025   0.03041   0.03109   0.03131   0.03133
     Eigenvalues ---    0.03136   0.03149   0.03167   0.03220   0.03399
     Eigenvalues ---    0.03803   0.03983   0.04663   0.05370   0.05563
     Eigenvalues ---    0.05579   0.05620   0.05726   0.05746   0.06015
     Eigenvalues ---    0.07537   0.08534   0.09445   0.10527   0.10810
     Eigenvalues ---    0.11432   0.11801   0.12613   0.13642   0.15206
     Eigenvalues ---    0.15613   0.15813   0.15881   0.15922   0.15952
     Eigenvalues ---    0.15959   0.15971   0.15979   0.15986   0.15987
     Eigenvalues ---    0.15988   0.15989   0.15992   0.15995   0.15996
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15997   0.15998
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16004   0.16004
     Eigenvalues ---    0.16011   0.16013   0.16026   0.16098   0.16109
     Eigenvalues ---    0.16261   0.16781   0.17282   0.18675   0.19889
     Eigenvalues ---    0.20878   0.21993   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22002   0.22004
     Eigenvalues ---    0.22007   0.22363   0.22408   0.22486   0.22599
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22604   0.22693
     Eigenvalues ---    0.22946   0.22966   0.22998   0.23153   0.23248
     Eigenvalues ---    0.23400   0.23516   0.23701   0.23939   0.23987
     Eigenvalues ---    0.24191   0.24445   0.24462   0.24486   0.24490
     Eigenvalues ---    0.24490   0.24533   0.24714   0.24894   0.24975
     Eigenvalues ---    0.24982   0.24983   0.24985   0.24986   0.24987
     Eigenvalues ---    0.24991   0.24994   0.24997   0.25000   0.25000
     Eigenvalues ---    0.25001   0.25002   0.25007   0.25017   0.25046
     Eigenvalues ---    0.25086   0.25119   0.25418   0.26314   0.27915
     Eigenvalues ---    0.28274   0.28843   0.29741   0.29789   0.30091
     Eigenvalues ---    0.32016   0.32099   0.32129   0.32142   0.32149
     Eigenvalues ---    0.32173   0.32193   0.32221   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33297   0.33319
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33458   0.33544   0.33561   0.33566   0.33577
     Eigenvalues ---    0.33586   0.33587   0.33595   0.33634   0.33639
     Eigenvalues ---    0.33640   0.33643   0.33648   0.33664   0.33702
     Eigenvalues ---    0.33723   0.33746   0.33820   0.33829   0.33840
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33921   0.33940
     Eigenvalues ---    0.33947   0.33955   0.33961   0.34456   0.34485
     Eigenvalues ---    0.34881   0.34919   0.35034   0.36436   0.39339
     Eigenvalues ---    0.41484   0.41741   0.44430   0.44433   0.44439
     Eigenvalues ---    0.44458   0.45423   0.46200   0.48682   0.48871
     Eigenvalues ---    0.48922   0.48976   0.49208   0.49385   0.49670
     Eigenvalues ---    0.49797   0.49815   0.49844   0.49884   0.49938
     Eigenvalues ---    0.50000   0.50136   0.50217   0.50399   0.50409
     Eigenvalues ---    0.50611   0.50614   0.50616   0.51058   0.51636
     Eigenvalues ---    0.51913   0.52426   0.52461   0.52781   0.53387
     Eigenvalues ---    0.54032   0.54112   0.54178   0.54199   0.54201
     Eigenvalues ---    0.54206   0.54438   0.54944   0.55124   0.55221
     Eigenvalues ---    0.55313   0.55332   0.55351   0.55359   0.55402
     Eigenvalues ---    0.55422   0.55444   0.55523   0.55585   0.55680
     Eigenvalues ---    0.55703   0.55708   0.55764   0.55939   0.55947
     Eigenvalues ---    0.55973   0.56147   0.56152   0.56153   0.56227
     Eigenvalues ---    0.56269   0.56304   0.56378   0.56630   0.56662
     Eigenvalues ---    0.56664   0.56670   0.56672   0.56682   0.56841
     Eigenvalues ---    0.56873   0.56900   0.56914   0.57127   0.57173
     Eigenvalues ---    0.57179   0.57190   0.57195   0.57209   0.57579
     Eigenvalues ---    0.61665   0.62175   0.65715   0.66054   0.67646
     Eigenvalues ---    0.67652   0.67657   0.68325   0.69666   0.70071
     Eigenvalues ---    0.71482   0.74938   0.80036
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    44   43   42   41   40   39   38   37   36   35
 RFO step:  Lambda=-1.81720044D-08.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 DIIS inversion failure, remove point   4.
 DIIS inversion failure, remove point   3.
 RFO-DIIS uses    2 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.39968   -0.39968    0.00000    0.00000    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00035007 RMS(Int)=  0.00000002
 Iteration  2 RMS(Cart)=  0.00000103 RMS(Int)=  0.00000000
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000000
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64724   0.00000   0.00000   0.00000   0.00000   2.64724
    R2        2.66040  -0.00000  -0.00000  -0.00000  -0.00000   2.66040
    R3        2.80237   0.00000  -0.00001   0.00000  -0.00000   2.80237
    R4        2.64593  -0.00000  -0.00000  -0.00001  -0.00001   2.64593
    R5        2.04881   0.00000  -0.00000   0.00000   0.00000   2.04881
    R6        2.66492  -0.00000   0.00000  -0.00000   0.00000   2.66492
    R7        2.79049  -0.00000   0.00000  -0.00000  -0.00000   2.79049
    R8        2.64662   0.00000   0.00000  -0.00000   0.00000   2.64662
    R9        2.78150   0.00001  -0.00000   0.00002   0.00001   2.78151
   R10        2.62027   0.00000  -0.00000   0.00000   0.00000   2.62027
   R11        2.04843  -0.00000  -0.00000  -0.00000  -0.00000   2.04843
   R12        2.05097  -0.00000   0.00000  -0.00000   0.00000   2.05097
   R13        2.67861  -0.00000   0.00000   0.00000   0.00001   2.67861
   R14        2.64444  -0.00000  -0.00001  -0.00001  -0.00001   2.64443
   R15        2.84433  -0.00000  -0.00001  -0.00001  -0.00002   2.84431
   R16        2.64381   0.00000  -0.00001   0.00000  -0.00001   2.64380
   R17        2.84986  -0.00001  -0.00002  -0.00003  -0.00005   2.84981
   R18        2.70494  -0.00002   0.00001  -0.00006  -0.00006   2.70488
   R19        3.90329   0.00000   0.00002   0.00006   0.00007   3.90336
   R20        2.43181   0.00000   0.00000   0.00001   0.00001   2.43182
   R21        2.64715   0.00000   0.00001   0.00001   0.00001   2.64716
   R22        2.04793   0.00000  -0.00000   0.00000   0.00000   2.04793
   R23        2.64932  -0.00000  -0.00001  -0.00000  -0.00001   2.64931
   R24        2.80110  -0.00000   0.00000  -0.00001  -0.00001   2.80109
   R25        2.62505   0.00000   0.00001   0.00001   0.00001   2.62506
   R26        2.05044   0.00000  -0.00000   0.00000   0.00000   2.05044
   R27        2.04117   0.00000   0.00000   0.00000   0.00000   2.04117
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   D296       3.12159  -0.00000  -0.00001  -0.00001  -0.00001   3.12158
   D297      -0.01326  -0.00000  -0.00001  -0.00002  -0.00002  -0.01328
   D298       0.01745  -0.00000  -0.00001  -0.00001  -0.00002   0.01743
   D299      -3.11740  -0.00000  -0.00001  -0.00002  -0.00003  -3.11742
   D300      -0.00179  -0.00000   0.00000   0.00000   0.00000  -0.00179
   D301       3.12959  -0.00000  -0.00001  -0.00001  -0.00002   3.12957
   D302      -3.11368   0.00000  -0.00000  -0.00000  -0.00000  -3.11368
   D303       0.01769  -0.00000  -0.00001  -0.00001  -0.00002   0.01767
   D304      -3.12205   0.00000   0.00000   0.00001   0.00001  -3.12204
   D305       0.01291   0.00000   0.00000   0.00001   0.00001   0.01292
   D306      -0.01684   0.00000   0.00001   0.00001   0.00001  -0.01682
   D307       3.11812   0.00000   0.00001   0.00001   0.00002   3.11814
   D308       0.00219   0.00000  -0.00000  -0.00000  -0.00000   0.00219
   D309      -3.12742   0.00000   0.00001   0.00001   0.00003  -3.12739
   D310      -3.12713   0.00000   0.00001   0.00001   0.00002  -3.12711
   D311       0.02645   0.00000   0.00003   0.00003   0.00005   0.02650
   D312      -0.00565   0.00000   0.00001   0.00001   0.00002  -0.00564
   D313       3.14088   0.00000   0.00001   0.00001   0.00001   3.14089
   D314       3.12244  -0.00000  -0.00000  -0.00001  -0.00001   3.12243
   D315      -0.01421  -0.00000  -0.00001  -0.00001  -0.00002  -0.01423
   D316      -0.00181  -0.00000   0.00000   0.00000   0.00000  -0.00181
   D317      -3.11396   0.00000  -0.00000  -0.00000  -0.00000  -3.11396
   D318       3.12981  -0.00000  -0.00001  -0.00001  -0.00002   3.12978
   D319       0.01766  -0.00000  -0.00001  -0.00001  -0.00003   0.01763
   D320       3.12277  -0.00000  -0.00001  -0.00001  -0.00001   3.12275
   D321      -0.01387  -0.00000  -0.00001  -0.00001  -0.00002  -0.01389
   D322      -0.00564   0.00000   0.00001   0.00001   0.00002  -0.00562
   D323       3.14091   0.00000   0.00000   0.00001   0.00001   3.14092
   D324      -3.12233   0.00000   0.00001   0.00001   0.00001  -3.12231
   D325       0.01265   0.00000   0.00001   0.00001   0.00002   0.01267
   D326      -0.01680   0.00000   0.00001   0.00001   0.00002  -0.01679
   D327       3.11818   0.00000   0.00001   0.00001   0.00002   3.11820
   D328       0.00674   0.00000  -0.00000   0.00000  -0.00000   0.00674
   D329      -3.13999   0.00000  -0.00000   0.00000   0.00000  -3.13999
   D330      -3.12985   0.00000  -0.00001   0.00000  -0.00001  -3.12985
   D331       0.00661   0.00000  -0.00001   0.00000  -0.00001   0.00660
   D332      -0.00740   0.00000   0.00001   0.00000   0.00001  -0.00739
   D333       3.13102  -0.00000   0.00001  -0.00000   0.00001   3.13102
   D334       3.13932  -0.00000   0.00001   0.00000   0.00001   3.13933
   D335      -0.00545  -0.00000   0.00001  -0.00000   0.00001  -0.00545
   D336      -0.00477  -0.00000   0.00000  -0.00000  -0.00000  -0.00477
   D337       3.13000   0.00000   0.00001  -0.00000   0.00001   3.13001
   D338       3.13999  -0.00000   0.00000  -0.00000   0.00000   3.13999
   D339      -0.00843   0.00000   0.00001   0.00000   0.00001  -0.00842
   D340      -0.00471  -0.00000   0.00000  -0.00000  -0.00000  -0.00472
   D341       3.14050  -0.00000   0.00000  -0.00000  -0.00000   3.14050
   D342       3.12922   0.00000   0.00001   0.00000   0.00001   3.12923
   D343      -0.00875   0.00000   0.00001   0.00000   0.00001  -0.00874
   D344      -0.00763   0.00000   0.00001   0.00000   0.00001  -0.00762
   D345       3.13954   0.00000   0.00001   0.00000   0.00001   3.13955
   D346       3.13032   0.00000   0.00001   0.00000   0.00001   3.13033
   D347      -0.00569  -0.00000   0.00001  -0.00000   0.00001  -0.00568
   D348       0.00688   0.00000  -0.00000   0.00000  -0.00000   0.00688
   D349      -3.12945   0.00000  -0.00001   0.00000  -0.00001  -3.12946
   D350      -3.14031   0.00000  -0.00000   0.00000   0.00000  -3.14031
   D351       0.00654   0.00000  -0.00001   0.00000  -0.00001   0.00654
   D352       0.00663  -0.00000   0.00000  -0.00000   0.00000   0.00663
   D353      -3.14008   0.00000  -0.00000   0.00000   0.00000  -3.14007
   D354      -3.12989  -0.00000  -0.00000  -0.00000  -0.00001  -3.12989
   D355       0.00659   0.00000  -0.00000  -0.00000  -0.00001   0.00658
   D356      -0.00737   0.00000   0.00000   0.00001   0.00001  -0.00737
   D357       3.13106   0.00000   0.00000   0.00000   0.00001   3.13107
   D358       3.13932   0.00000   0.00000   0.00000   0.00001   3.13933
   D359      -0.00543  -0.00000   0.00001   0.00000   0.00001  -0.00542
   D360      -0.00466  -0.00000  -0.00000  -0.00000  -0.00000  -0.00466
   D361       3.13021   0.00000   0.00000   0.00001   0.00001   3.13022
   D362       3.14008   0.00000  -0.00000   0.00000   0.00000   3.14008
   D363      -0.00823   0.00000   0.00000   0.00001   0.00001  -0.00822
   D364      -0.00469  -0.00000   0.00000  -0.00000  -0.00000  -0.00469
   D365       3.14053   0.00000  -0.00000   0.00000   0.00000   3.14053
   D366       3.12928   0.00000   0.00000   0.00001   0.00001   3.12929
   D367      -0.00869   0.00000   0.00000   0.00001   0.00001  -0.00868
   D368      -0.00757   0.00000   0.00000   0.00001   0.00001  -0.00756
   D369       3.13954  -0.00000   0.00000   0.00000   0.00001   3.13954
   D370       3.13039   0.00000   0.00000   0.00000   0.00001   3.13040
   D371      -0.00569  -0.00000   0.00001   0.00000   0.00001  -0.00569
   D372       0.00685  -0.00000   0.00000  -0.00000   0.00000   0.00685
   D373      -3.12957   0.00000  -0.00000  -0.00000  -0.00000  -3.12958
   D374      -3.14027   0.00000  -0.00000   0.00000   0.00000  -3.14027
   D375       0.00649   0.00000  -0.00000   0.00000  -0.00000   0.00649
   D376      -0.00641   0.00000  -0.00000  -0.00000  -0.00000  -0.00641
   D377       3.14021  -0.00000   0.00000  -0.00000  -0.00000   3.14021
   D378       3.13022   0.00000   0.00000   0.00000   0.00001   3.13023
   D379      -0.00634  -0.00000   0.00001   0.00000   0.00001  -0.00634
   D380       0.00713  -0.00000  -0.00000  -0.00001  -0.00001   0.00712
   D381      -3.13123  -0.00000  -0.00000  -0.00000  -0.00001  -3.13124
   D382      -3.13948  -0.00000  -0.00001  -0.00000  -0.00001  -3.13949
   D383       0.00535   0.00000  -0.00001  -0.00000  -0.00001   0.00534
   D384       0.00447   0.00000  -0.00000   0.00000   0.00000   0.00447
   D385      -3.13053  -0.00000  -0.00000  -0.00000  -0.00001  -3.13054
   D386      -3.14035  -0.00000   0.00000  -0.00000  -0.00000  -3.14035
   D387       0.00784  -0.00000  -0.00000  -0.00001  -0.00001   0.00783
   D388       0.00448   0.00000  -0.00000   0.00000   0.00000   0.00448
   D389      -3.14026  -0.00000   0.00000   0.00000   0.00000  -3.14026
   D390      -3.13050  -0.00000   0.00000  -0.00000  -0.00000  -3.13051
   D391       0.00794  -0.00000   0.00000  -0.00001  -0.00001   0.00794
   D392       0.00714  -0.00000  -0.00000  -0.00001  -0.00001   0.00713
   D393      -3.13942   0.00000  -0.00000  -0.00000  -0.00001  -3.13942
   D394      -3.13129  -0.00000  -0.00000  -0.00000  -0.00001  -3.13130
   D395       0.00534   0.00000  -0.00001  -0.00000  -0.00001   0.00533
   D396      -0.00642   0.00000  -0.00000  -0.00000  -0.00000  -0.00642
   D397       3.13023  -0.00000   0.00000   0.00000   0.00000   3.13023
   D398       3.14015  -0.00000   0.00000  -0.00000  -0.00000   3.14015
   D399      -0.00639  -0.00000   0.00000  -0.00000   0.00000  -0.00639
   D400       1.63525  -0.00000  -0.00011  -0.00000  -0.00011   1.63514
   D401      -0.62824  -0.00000  -0.00013  -0.00001  -0.00014  -0.62838
   D402      -2.84906  -0.00000  -0.00012  -0.00001  -0.00013  -2.84919
   D403      -3.09554   0.00000   0.00009   0.00011   0.00020  -3.09534
   D404      -0.92067   0.00000   0.00010   0.00012   0.00023  -0.92044
   D405       1.29819   0.00000   0.00009   0.00012   0.00021   1.29840
   D406       2.78611   0.00000   0.00008   0.00033   0.00041   2.78652
   D407      -1.38547  -0.00000   0.00008   0.00033   0.00042  -1.38506
   D408       0.66209   0.00000   0.00009   0.00036   0.00045   0.66254
   D409       2.99945   0.00000   0.00006   0.00018   0.00024   2.99969
   D410      -1.17402   0.00000   0.00006   0.00018   0.00023  -1.17378
   D411       0.88325   0.00000   0.00006   0.00017   0.00023   0.88348
   D412       3.11900   0.00000   0.00001   0.00004   0.00004   3.11904
   D413      -1.07742   0.00000   0.00001   0.00004   0.00005  -1.07738
   D414       1.03306   0.00000   0.00000   0.00004   0.00004   1.03310
   D415       1.05367  -0.00000  -0.00001   0.00001  -0.00000   1.05366
   D416       3.14043  -0.00000  -0.00001   0.00001  -0.00000   3.14043
   D417      -1.03227  -0.00000  -0.00001   0.00000  -0.00001  -1.03228
   D418      -1.08193  -0.00000   0.00002   0.00003   0.00005  -1.08187
   D419       1.00484   0.00000   0.00002   0.00003   0.00005   1.00489
   D420       3.11533  -0.00000   0.00002   0.00003   0.00004   3.11537
   D421       1.25267  -0.00000   0.00004  -0.00024  -0.00020   1.25246
   D422      -2.96879  -0.00000   0.00005  -0.00024  -0.00019  -2.96898
   D423      -0.79548  -0.00000   0.00002  -0.00028  -0.00026  -0.79574
   D424      -1.41864  -0.00000  -0.00002  -0.00012  -0.00015  -1.41879
   D425       2.79255   0.00000  -0.00003  -0.00010  -0.00013   2.79242
   D426       0.62218   0.00000  -0.00000  -0.00007  -0.00008   0.62210
   D427       1.04672   0.00000   0.00001   0.00002   0.00003   1.04675
   D428       3.13643   0.00000   0.00001   0.00001   0.00003   3.13645
   D429      -1.05837   0.00000   0.00001   0.00001   0.00003  -1.05834
   D430      -1.02719  -0.00000   0.00001   0.00001   0.00002  -1.02717
   D431       1.06252  -0.00000   0.00001   0.00001   0.00002   1.06254
   D432      -3.13227  -0.00000   0.00001   0.00001   0.00002  -3.13225
   D433       3.12699   0.00000   0.00001   0.00001   0.00003   3.12702
   D434      -1.06649   0.00000   0.00001   0.00001   0.00003  -1.06646
   D435       1.02191   0.00000   0.00001   0.00001   0.00003   1.02193
   D436      -1.31863   0.00000  -0.00013   0.00023   0.00009  -1.31854
   D437      -1.22515   0.00000  -0.00009   0.00017   0.00008  -1.22507
   D438       0.43142   0.00000  -0.00000   0.00011   0.00011   0.43153
   D439       1.11013  -0.00000  -0.00013   0.00007  -0.00005   1.11008
   D440       0.92870  -0.00000  -0.00009   0.00005  -0.00004   0.92866
   D441      -0.39550  -0.00000   0.00000  -0.00004  -0.00004  -0.39554
         Item               Value     Threshold  Converged?
 Maximum Force            0.000019     0.000450     YES
 RMS     Force            0.000001     0.000300     YES
 Maximum Displacement     0.001816     0.001800     NO 
 RMS     Displacement     0.000350     0.001200     YES
 Predicted change in Energy=-9.086104D-09
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.834980    2.897462    0.557210
      2          6           0       -2.067346    1.522036    0.686119
      3          6           0       -1.018693    0.595084    0.725436
      4          6           0        0.307776    1.071008    0.673674
      5          6           0        0.549544    2.441188    0.513547
      6          6           0       -0.503151    3.341602    0.452616
      7          6           0       -1.236207   -0.865411    0.712171
      8          6           0       -0.169580   -1.743684    1.028624
      9          6           0        1.120137   -1.158115    1.537740
     10          6           0        1.433731    0.135899    0.829635
     11          6           0       -2.439141   -1.403861    0.241789
     12          6           0       -2.618890   -2.778540    0.041192
     13          6           0       -1.520432   -3.618603    0.271758
     14          6           0       -0.319704   -3.105593    0.745818
     15          7           0        2.229547   -2.048979    1.693831
     16          6           0        3.523757   -1.639644    1.251328
     17          6           0        3.672076   -0.377006    0.634167
     18          7           0        2.608741    0.489776    0.442155
     19          6           0        4.663631   -2.452819    1.350402
     20          6           0        5.895299   -2.014959    0.879617
     21          6           0        6.061705   -0.755052    0.276750
     22          6           0        4.923895    0.042131    0.162119
     23          6           0       -2.962960    3.859828    0.531787
     24          6           0       -3.912348   -3.313041   -0.447084
     25          6           0        7.382324   -0.299772   -0.219439
     26          6           0       -3.962838   -4.383568   -1.355954
     27          6           0       -5.176450   -4.879770   -1.821201
     28          6           0       -6.382873   -4.327443   -1.371815
     29          6           0       -6.349664   -3.266386   -0.457983
     30          6           0       -5.130868   -2.764223   -0.012653
     31          6           0       -2.855283    5.117766    1.149221
     32          6           0       -3.912973    6.021618    1.138338
     33          6           0       -5.110356    5.697848    0.487604
     34          6           0       -5.230131    4.452188   -0.141680
     35          6           0       -4.173719    3.547384   -0.109640
     36          6           0        8.294926   -1.201774   -0.792284
     37          6           0        9.531689   -0.776207   -1.267343
     38          6           0        9.899572    0.571312   -1.166718
     39          6           0        9.004528    1.481893   -0.591040
     40          6           0        7.763656    1.050017   -0.133209
     41          7           0       -6.187851    6.619840    0.465060
     42          7           0       -7.622258   -4.836511   -1.836442
     43          7           0       11.163033    1.008387   -1.642014
     44          6           0       -8.028533   -6.176448   -1.787882
     45          6           0       -9.326613   -6.284550   -2.348358
     46          6           0       -9.721227   -4.952127   -2.755570
     47          6           0       -8.648884   -4.085599   -2.423937
     48          6           0       -7.501089    6.356516    0.875795
     49          6           0       -8.282427    7.526514    0.698353
     50          6           0       -7.403506    8.540580    0.154308
     51          6           0       -6.121552    7.948265    0.025133
     52          6           0       11.380006    2.040564   -2.563633
     53          6           0       12.774386    2.175976   -2.783834
     54          6           0       13.428728    1.183478   -1.957078
     55          6           0       12.406049    0.481918   -1.269121
     56          6           0      -10.864217   -4.430740   -3.372527
     57          6           0      -10.921294   -3.069282   -3.654666
     58          6           0       -9.843369   -2.227307   -3.332920
     59          6           0       -8.694450   -2.720091   -2.718111
     60          6           0       -7.364896   -7.287540   -1.260326
     61          6           0       -8.013238   -8.519115   -1.321417
     62          6           0       -9.293021   -8.646733   -1.887305
     63          6           0       -9.955013   -7.534173   -2.397652
     64          6           0       -7.591925    9.870504   -0.239009
     65          6           0       -6.515006   10.583626   -0.756854
     66          6           0       -5.254983    9.976574   -0.891957
     67          6           0       -5.039851    8.654877   -0.507696
     68          6           0       -8.044370    5.190149    1.421471
     69          6           0       -9.393343    5.204388    1.769137
     70          6           0      -10.185710    6.350249    1.585796
     71          6           0       -9.635610    7.513332    1.055630
     72          6           0       14.768098    0.843190   -1.735120
     73          6           0       15.069129   -0.175311   -0.835911
     74          6           0       14.044000   -0.850405   -0.151854
     75          6           0       12.702906   -0.532315   -0.354467
     76          6           0       10.451740    2.835879   -3.241241
     77          6           0       10.942169    3.787934   -4.132164
     78          6           0       12.321232    3.945405   -4.351441
     79          6           0       13.240099    3.141116   -3.684212
     80          8           0        0.756209   -3.513861    3.477453
     81         15           0        2.089244   -3.345828    2.871423
     82          8           0        3.309941   -3.141184    3.891646
     83          8           0        2.624776   -4.569296    1.970267
     84          6           0        3.139899   -2.381163    5.129777
     85          6           0        4.255026   -2.787849    6.071220
     86          6           0        2.625593   -5.905570    2.553888
     87          6           0        2.975019   -6.890011    1.456169
     88          1           0       -3.088828    1.175710    0.796073
     89          1           0        1.577449    2.779717    0.451653
     90          1           0       -0.298302    4.398763    0.317051
     91          1           0       -3.237581   -0.731601   -0.049760
     92          1           0       -1.608127   -4.686243    0.099174
     93          1           0        0.511766   -3.784009    0.868744
     94          1           0        4.602470   -3.434503    1.792585
     95          1           0        6.753967   -2.667260    1.003905
     96          1           0        4.957286    1.011255   -0.323588
     97          1           0       -3.038626   -4.806933   -1.736636
     98          1           0       -5.196395   -5.682342   -2.550792
     99          1           0       -7.281113   -2.855103   -0.083743
    100          1           0       -5.124145   -1.961058    0.717691
    101          1           0       -1.945375    5.375395    1.682068
    102          1           0       -3.825183    6.973130    1.651901
    103          1           0       -6.144227    4.208485   -0.672616
    104          1           0       -4.275252    2.598737   -0.627544
    105          1           0        8.017341   -2.245159   -0.905758
    106          1           0       10.209392   -1.480419   -1.738297
    107          1           0        9.295346    2.521733   -0.485602
    108          1           0        7.094156    1.765638    0.333748
    109          1           0      -11.693575   -5.082691   -3.631505
    110          1           0      -11.803008   -2.652670   -4.131621
    111          1           0       -9.902763   -1.169150   -3.570006
    112          1           0       -7.863077   -2.065011   -2.483075
    113          1           0       -6.382102   -7.196315   -0.811599
    114          1           0       -7.517068   -9.397303   -0.918840
    115          1           0       -9.769524   -9.621580   -1.920884
    116          1           0      -10.948990   -7.631910   -2.824741
    117          1           0       -8.568274   10.337286   -0.145022
    118          1           0       -6.648226   11.616275   -1.064110
    119          1           0       -4.429114   10.546492   -1.307403
    120          1           0       -4.066825    8.191245   -0.625252
    121          1           0       -7.437673    4.305095    1.576922
    122          1           0       -9.838360    4.309492    2.194071
    123          1           0      -11.234368    6.327147    1.865599
    124          1           0      -10.246260    8.402103    0.924624
    125          1           0       15.561829    1.371553   -2.255521
    126          1           0       16.104152   -0.449193   -0.656301
    127          1           0       14.299566   -1.635955    0.553227
    128          1           0       11.918475   -1.051219    0.185030
    129          1           0        9.385631    2.714140   -3.085648
    130          1           0       10.240293    4.418770   -4.669639
    131          1           0       12.670129    4.698470   -5.051221
    132          1           0       14.305441    3.256540   -3.862320
    133          1           0        3.182339   -1.318398    4.879269
    134          1           0        2.151095   -2.601015    5.538870
    135          1           0        4.171392   -2.219193    7.002698
    136          1           0        4.196481   -3.853159    6.311881
    137          1           0        5.234355   -2.582812    5.629951
    138          1           0        3.362270   -5.927293    3.363737
    139          1           0        1.635123   -6.101569    2.975065
    140          1           0        3.960429   -6.673227    1.034826
    141          1           0        2.989307   -7.905618    1.863791
    142          1           0        2.237466   -6.851703    0.650027
    143         17           0        0.733246   -0.359998    3.403192
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177749           0.0074046           0.0058220
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13524.2888313434 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.75D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000003   -0.000002    0.000012 Ang=  -0.00 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -4306.68069896     A.U. after    5 cycles
            NFock=  5  Conv=0.72D-08     -V/T= 2.0085
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002699   -0.000001734    0.000000029
      2        6          -0.000001441    0.000001076    0.000001325
      3        6           0.000000432    0.000001464   -0.000000114
      4        6          -0.000005581    0.000000973   -0.000004180
      5        6           0.000000776    0.000000351    0.000001242
      6        6          -0.000000434   -0.000000180    0.000000777
      7        6           0.000003279   -0.000001454    0.000000922
      8        6          -0.000001332    0.000003539    0.000002481
      9        6           0.000013278   -0.000006366    0.000004438
     10        6           0.000003638   -0.000002786   -0.000001123
     11        6          -0.000000066   -0.000001386   -0.000003809
     12        6          -0.000001597    0.000001007    0.000000024
     13        6           0.000001422    0.000000062    0.000000925
     14        6          -0.000000403   -0.000001594   -0.000000975
     15        7          -0.000018853    0.000003769   -0.000003464
     16        6           0.000001812    0.000005652    0.000001817
     17        6          -0.000003500   -0.000001707   -0.000000202
     18        7           0.000002104   -0.000000348   -0.000000116
     19        6           0.000001066   -0.000000512    0.000000024
     20        6          -0.000000063   -0.000000950    0.000000398
     21        6          -0.000002354    0.000000880   -0.000000415
     22        6           0.000002575    0.000000255    0.000000063
     23        6          -0.000002832    0.000001500    0.000000071
     24        6          -0.000000187    0.000000055    0.000000157
     25        6           0.000000984    0.000001346    0.000000033
     26        6           0.000000115    0.000000465   -0.000001249
     27        6           0.000000724    0.000000120   -0.000000043
     28        6           0.000000265    0.000000428   -0.000000167
     29        6          -0.000000138   -0.000000278   -0.000000120
     30        6           0.000000784   -0.000000536    0.000000927
     31        6           0.000000720   -0.000000022   -0.000000817
     32        6           0.000000072   -0.000000310    0.000000408
     33        6           0.000000827   -0.000000221    0.000000728
     34        6          -0.000000230    0.000000433   -0.000000349
     35        6           0.000001019   -0.000000473    0.000001028
     36        6           0.000000039   -0.000000134   -0.000000143
     37        6          -0.000000226   -0.000000471   -0.000000309
     38        6          -0.000000815    0.000000100    0.000000213
     39        6           0.000000473    0.000000069   -0.000000010
     40        6          -0.000000598   -0.000000688    0.000000008
     41        7          -0.000000691   -0.000000028   -0.000001987
     42        7           0.000000033    0.000000231    0.000001684
     43        7           0.000000025    0.000000308    0.000000235
     44        6           0.000000477   -0.000001148   -0.000000871
     45        6          -0.000000448    0.000000379    0.000000009
     46        6           0.000000450   -0.000000559   -0.000000304
     47        6          -0.000001034    0.000000392   -0.000000549
     48        6          -0.000000578   -0.000000372    0.000001274
     49        6           0.000000376    0.000000882    0.000000404
     50        6          -0.000000417   -0.000000672    0.000000053
     51        6           0.000000121    0.000000361    0.000000206
     52        6          -0.000000249    0.000000546   -0.000000546
     53        6           0.000000548   -0.000000395   -0.000000141
     54        6          -0.000000712    0.000000833    0.000000012
     55        6           0.000001025   -0.000000278    0.000000278
     56        6          -0.000000009   -0.000000317    0.000000427
     57        6           0.000000215    0.000000117   -0.000000192
     58        6          -0.000000416    0.000000009    0.000000098
     59        6           0.000000363   -0.000000045   -0.000000024
     60        6          -0.000000140    0.000000182    0.000000663
     61        6           0.000000128   -0.000000400   -0.000000170
     62        6           0.000000219   -0.000000085    0.000000473
     63        6          -0.000000016    0.000000164   -0.000000261
     64        6          -0.000000239   -0.000000085    0.000000159
     65        6           0.000000109   -0.000000041   -0.000000254
     66        6           0.000000061    0.000000151    0.000000118
     67        6          -0.000000053   -0.000000359   -0.000000465
     68        6           0.000000238    0.000000091   -0.000000231
     69        6          -0.000000167   -0.000000282   -0.000000109
     70        6           0.000000130   -0.000000259    0.000000296
     71        6          -0.000000185   -0.000000004   -0.000000505
     72        6           0.000000142    0.000000055   -0.000000570
     73        6          -0.000000105   -0.000000055    0.000000381
     74        6           0.000000136   -0.000000130   -0.000000089
     75        6          -0.000000290    0.000000363   -0.000000098
     76        6          -0.000000003   -0.000000327   -0.000000129
     77        6          -0.000000034    0.000000422   -0.000000087
     78        6          -0.000000236   -0.000000137   -0.000000278
     79        6           0.000000110    0.000000198    0.000000211
     80        8           0.000000421    0.000000066    0.000000002
     81       15           0.000002885   -0.000001547    0.000000205
     82        8           0.000000566   -0.000003162   -0.000001190
     83        8          -0.000001110    0.000000924   -0.000000326
     84        6          -0.000005507    0.000004154   -0.000002484
     85        6           0.000001254    0.000000001    0.000000316
     86        6          -0.000000421   -0.000000862   -0.000000052
     87        6           0.000000904    0.000000524    0.000000490
     88        1           0.000000341   -0.000000944    0.000000081
     89        1          -0.000000157    0.000000055   -0.000000555
     90        1           0.000000139   -0.000000232   -0.000000119
     91        1          -0.000000037    0.000000800    0.000000136
     92        1          -0.000000127   -0.000000109    0.000000344
     93        1          -0.000000168   -0.000000438    0.000000318
     94        1           0.000000267    0.000000253   -0.000000162
     95        1           0.000000053   -0.000000071    0.000000042
     96        1          -0.000000352    0.000000052   -0.000000003
     97        1           0.000000116   -0.000000038    0.000000423
     98        1          -0.000000105   -0.000000099   -0.000000088
     99        1          -0.000000164   -0.000000144    0.000000054
    100        1           0.000000139    0.000000277   -0.000000088
    101        1          -0.000000435   -0.000000019    0.000000119
    102        1          -0.000000107    0.000000101   -0.000000033
    103        1          -0.000000245   -0.000000183    0.000000019
    104        1          -0.000000304    0.000000032   -0.000000137
    105        1           0.000000117   -0.000000010    0.000000011
    106        1           0.000000201    0.000000058   -0.000000060
    107        1           0.000000026    0.000000204   -0.000000042
    108        1           0.000000048    0.000000125   -0.000000050
    109        1           0.000000042    0.000000044   -0.000000077
    110        1          -0.000000081   -0.000000165    0.000000226
    111        1           0.000000108   -0.000000073   -0.000000100
    112        1           0.000000124    0.000000015    0.000000193
    113        1           0.000000170    0.000000089   -0.000000060
    114        1          -0.000000034    0.000000014    0.000000167
    115        1           0.000000070   -0.000000028   -0.000000181
    116        1           0.000000080   -0.000000185    0.000000150
    117        1           0.000000035    0.000000034   -0.000000065
    118        1          -0.000000120   -0.000000057    0.000000124
    119        1          -0.000000120   -0.000000074   -0.000000120
    120        1           0.000000094   -0.000000131    0.000000236
    121        1           0.000000207   -0.000000049   -0.000000077
    122        1          -0.000000021   -0.000000009    0.000000113
    123        1          -0.000000094   -0.000000036   -0.000000179
    124        1          -0.000000068   -0.000000155    0.000000199
    125        1           0.000000006    0.000000074    0.000000146
    126        1          -0.000000005    0.000000062   -0.000000265
    127        1          -0.000000023    0.000000200    0.000000007
    128        1          -0.000000190   -0.000000017   -0.000000025
    129        1          -0.000000199   -0.000000012    0.000000194
    130        1          -0.000000007   -0.000000038   -0.000000123
    131        1          -0.000000010    0.000000099    0.000000140
    132        1          -0.000000196    0.000000060   -0.000000148
    133        1           0.000001361   -0.000000517    0.000001912
    134        1           0.000001511   -0.000000550    0.000001048
    135        1           0.000000075    0.000000114    0.000000293
    136        1          -0.000000127    0.000000222   -0.000000108
    137        1          -0.000000064    0.000000087    0.000000043
    138        1          -0.000000660   -0.000000376    0.000000638
    139        1          -0.000000011    0.000000059   -0.000000744
    140        1           0.000000051   -0.000000014    0.000000046
    141        1           0.000000009   -0.000000027   -0.000000057
    142        1           0.000000067    0.000000087   -0.000000060
    143       17           0.000002443    0.000000383   -0.000000209
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000018853 RMS     0.000001526

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000011518 RMS     0.000000649
 Search for a local minimum.
 Step number  45 out of a maximum of  858
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   20   21   22   23   24
                                                     25   26   27   28   29
                                                     30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
                                                     45
 DE= -1.22D-08 DEPred=-9.09D-09 R= 1.35D+00
 Trust test= 1.35D+00 RLast= 1.72D-03 DXMaxT set to 6.22D-01
 ITU=  0  0  0  0  0  1  1  1  0  1  0  0  0  0  0  0  1  0  1 -1
 ITU=  1  1  1  1  1  1 -1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  0  0  1  0
     Eigenvalues ---    0.00024   0.00132   0.00242   0.00358   0.00419
     Eigenvalues ---    0.00450   0.00645   0.00785   0.00818   0.01011
     Eigenvalues ---    0.01517   0.01631   0.02129   0.02483   0.02574
     Eigenvalues ---    0.02619   0.02654   0.02688   0.02706   0.02708
     Eigenvalues ---    0.02714   0.02725   0.02726   0.02727   0.02729
     Eigenvalues ---    0.02736   0.02745   0.02755   0.02763   0.02771
     Eigenvalues ---    0.02773   0.02774   0.02776   0.02779   0.02784
     Eigenvalues ---    0.02785   0.02786   0.02789   0.02790   0.02791
     Eigenvalues ---    0.02791   0.02792   0.02792   0.02793   0.02794
     Eigenvalues ---    0.02795   0.02799   0.02801   0.02802   0.02803
     Eigenvalues ---    0.02804   0.02804   0.02807   0.02808   0.02808
     Eigenvalues ---    0.02808   0.02809   0.02811   0.02813   0.02817
     Eigenvalues ---    0.02817   0.02817   0.02818   0.02818   0.02818
     Eigenvalues ---    0.02819   0.02821   0.02826   0.02830   0.02833
     Eigenvalues ---    0.02842   0.02844   0.02845   0.02845   0.02846
     Eigenvalues ---    0.02847   0.02850   0.02853   0.02860   0.02868
     Eigenvalues ---    0.02868   0.02869   0.02870   0.02872   0.02873
     Eigenvalues ---    0.02875   0.02877   0.02877   0.02878   0.02878
     Eigenvalues ---    0.02879   0.02879   0.02882   0.02884   0.02885
     Eigenvalues ---    0.02885   0.02885   0.02885   0.02886   0.02886
     Eigenvalues ---    0.02887   0.02888   0.02892   0.02894   0.02896
     Eigenvalues ---    0.02897   0.02898   0.02899   0.02899   0.02899
     Eigenvalues ---    0.02902   0.02908   0.02909   0.02910   0.02928
     Eigenvalues ---    0.02940   0.02944   0.02961   0.03025   0.03025
     Eigenvalues ---    0.03025   0.03040   0.03107   0.03131   0.03133
     Eigenvalues ---    0.03135   0.03149   0.03166   0.03230   0.03389
     Eigenvalues ---    0.03787   0.03988   0.04660   0.05370   0.05564
     Eigenvalues ---    0.05579   0.05620   0.05726   0.05746   0.06016
     Eigenvalues ---    0.07592   0.08548   0.09403   0.10530   0.10807
     Eigenvalues ---    0.11428   0.11650   0.12578   0.13635   0.15190
     Eigenvalues ---    0.15604   0.15808   0.15864   0.15898   0.15947
     Eigenvalues ---    0.15960   0.15973   0.15979   0.15986   0.15987
     Eigenvalues ---    0.15988   0.15989   0.15993   0.15994   0.15996
     Eigenvalues ---    0.15997   0.15997   0.15997   0.15997   0.15998
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16002   0.16004   0.16005
     Eigenvalues ---    0.16011   0.16012   0.16029   0.16100   0.16111
     Eigenvalues ---    0.16311   0.16771   0.17277   0.18751   0.19721
     Eigenvalues ---    0.20879   0.21981   0.21999   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22002   0.22004
     Eigenvalues ---    0.22006   0.22337   0.22411   0.22500   0.22599
     Eigenvalues ---    0.22601   0.22602   0.22602   0.22604   0.22693
     Eigenvalues ---    0.22946   0.22966   0.22999   0.23161   0.23213
     Eigenvalues ---    0.23404   0.23515   0.23700   0.23939   0.23988
     Eigenvalues ---    0.24186   0.24419   0.24462   0.24486   0.24489
     Eigenvalues ---    0.24490   0.24533   0.24729   0.24899   0.24979
     Eigenvalues ---    0.24982   0.24984   0.24985   0.24986   0.24988
     Eigenvalues ---    0.24990   0.24995   0.24998   0.25000   0.25000
     Eigenvalues ---    0.25002   0.25003   0.25015   0.25020   0.25048
     Eigenvalues ---    0.25098   0.25124   0.25426   0.26185   0.27900
     Eigenvalues ---    0.28097   0.28885   0.29726   0.29789   0.30144
     Eigenvalues ---    0.32017   0.32099   0.32129   0.32142   0.32149
     Eigenvalues ---    0.32174   0.32195   0.32221   0.33245   0.33249
     Eigenvalues ---    0.33255   0.33261   0.33271   0.33297   0.33318
     Eigenvalues ---    0.33372   0.33391   0.33391   0.33406   0.33418
     Eigenvalues ---    0.33458   0.33544   0.33562   0.33566   0.33577
     Eigenvalues ---    0.33586   0.33587   0.33595   0.33634   0.33639
     Eigenvalues ---    0.33640   0.33644   0.33650   0.33664   0.33701
     Eigenvalues ---    0.33723   0.33748   0.33820   0.33829   0.33841
     Eigenvalues ---    0.33857   0.33880   0.33898   0.33921   0.33940
     Eigenvalues ---    0.33947   0.33955   0.33961   0.34428   0.34490
     Eigenvalues ---    0.34885   0.34920   0.35013   0.36867   0.39857
     Eigenvalues ---    0.41268   0.41729   0.44429   0.44435   0.44440
     Eigenvalues ---    0.44467   0.45407   0.45779   0.48685   0.48753
     Eigenvalues ---    0.48922   0.48975   0.49166   0.49359   0.49726
     Eigenvalues ---    0.49799   0.49815   0.49845   0.49875   0.49938
     Eigenvalues ---    0.50012   0.50201   0.50304   0.50399   0.50409
     Eigenvalues ---    0.50611   0.50616   0.50616   0.50984   0.51641
     Eigenvalues ---    0.51962   0.52433   0.52498   0.52782   0.53391
     Eigenvalues ---    0.54030   0.54112   0.54199   0.54201   0.54206
     Eigenvalues ---    0.54279   0.54366   0.54926   0.55124   0.55288
     Eigenvalues ---    0.55330   0.55340   0.55353   0.55387   0.55399
     Eigenvalues ---    0.55421   0.55436   0.55515   0.55623   0.55672
     Eigenvalues ---    0.55707   0.55721   0.55780   0.55939   0.55948
     Eigenvalues ---    0.56017   0.56147   0.56152   0.56154   0.56226
     Eigenvalues ---    0.56269   0.56304   0.56386   0.56629   0.56662
     Eigenvalues ---    0.56664   0.56670   0.56672   0.56682   0.56840
     Eigenvalues ---    0.56900   0.56914   0.57012   0.57134   0.57173
     Eigenvalues ---    0.57179   0.57190   0.57195   0.57210   0.57565
     Eigenvalues ---    0.61490   0.61914   0.65730   0.66054   0.67647
     Eigenvalues ---    0.67652   0.67658   0.68406   0.69709   0.70075
     Eigenvalues ---    0.72083   0.74952   0.80033
 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF=       -3 using points:    45   44   43   42   41   40   39   38   37   36
 RFO step:  Lambda=-1.82281432D-09.
 DIIS inversion failure, remove point  10.
 DIIS inversion failure, remove point   9.
 DIIS inversion failure, remove point   8.
 DIIS inversion failure, remove point   7.
 DIIS inversion failure, remove point   6.
 DIIS inversion failure, remove point   5.
 DIIS inversion failure, remove point   4.
 RFO-DIIS uses    3 points instead of   10
 DidBck=F Rises=F RFO-DIIS coefs:    1.91241   -1.20061    0.28820    0.00000    0.00000
                  RFO-DIIS coefs:    0.00000    0.00000    0.00000    0.00000    0.00000
 Iteration  1 RMS(Cart)=  0.00024640 RMS(Int)=  0.00000003
 Iteration  2 RMS(Cart)=  0.00000007 RMS(Int)=  0.00000001
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64724  -0.00000   0.00000  -0.00000   0.00000   2.64724
    R2        2.66040   0.00000  -0.00000  -0.00000  -0.00000   2.66040
    R3        2.80237   0.00000   0.00000   0.00000   0.00000   2.80237
    R4        2.64593   0.00000  -0.00001   0.00000  -0.00000   2.64592
    R5        2.04881   0.00000   0.00000   0.00000   0.00000   2.04881
    R6        2.66492  -0.00000  -0.00000  -0.00000  -0.00000   2.66491
    R7        2.79049   0.00000  -0.00000   0.00000  -0.00000   2.79049
    R8        2.64662  -0.00000  -0.00000  -0.00000  -0.00000   2.64662
    R9        2.78151   0.00000   0.00001   0.00000   0.00001   2.78153
   R10        2.62027   0.00000   0.00000  -0.00000   0.00000   2.62027
   R11        2.04843  -0.00000  -0.00000  -0.00000  -0.00000   2.04843
   R12        2.05097  -0.00000  -0.00000  -0.00000  -0.00000   2.05097
   R13        2.67861  -0.00000   0.00000  -0.00000  -0.00000   2.67861
   R14        2.64443   0.00000  -0.00001   0.00001  -0.00000   2.64442
   R15        2.84431  -0.00000  -0.00001   0.00000  -0.00001   2.84430
   R16        2.64380   0.00000  -0.00000   0.00000   0.00000   2.64380
   R17        2.84981   0.00000  -0.00003   0.00002  -0.00002   2.84979
   R18        2.70488  -0.00001  -0.00006   0.00000  -0.00005   2.70483
   R19        3.90336   0.00000   0.00006   0.00000   0.00006   3.90342
   R20        2.43182  -0.00000   0.00001  -0.00000   0.00000   2.43182
   R21        2.64716  -0.00000   0.00001  -0.00001   0.00000   2.64716
   R22        2.04793   0.00000   0.00000   0.00000   0.00000   2.04793
   R23        2.64931   0.00000  -0.00000   0.00000  -0.00000   2.64931
   R24        2.80109  -0.00000  -0.00001   0.00000  -0.00001   2.80109
   R25        2.62506  -0.00000   0.00001  -0.00000   0.00000   2.62506
   R26        2.05044  -0.00000   0.00000  -0.00000  -0.00000   2.05044
   R27        2.04117   0.00000   0.00000  -0.00000   0.00000   2.04117
   R28        2.69797   0.00000   0.00002  -0.00001   0.00002   2.69799
   R29        3.32088   0.00000   0.00001  -0.00000   0.00001   3.32089
   R30        5.34946  -0.00000  -0.00002   0.00001  -0.00001   5.34945
   R31        2.67057  -0.00000  -0.00001   0.00000  -0.00001   2.67056
   R32        2.65261   0.00000  -0.00000   0.00000  -0.00000   2.65261
   R33        2.61770  -0.00000   0.00002  -0.00001   0.00001   2.61771
   R34        2.64936   0.00000  -0.00001   0.00000  -0.00000   2.64936
   R35        2.62554  -0.00000   0.00000  -0.00000   0.00000   2.62554
   R36        2.03790  -0.00000  -0.00000   0.00000  -0.00000   2.03790
   R37        2.65808   0.00000  -0.00000   0.00000   0.00000   2.65808
   R38        2.05125   0.00000  -0.00000   0.00000   0.00000   2.05125
   R39        2.63429  -0.00000   0.00000  -0.00000   0.00000   2.63429
   R40        2.80133   0.00000  -0.00000   0.00000  -0.00000   2.80133
   R41        2.04948   0.00000  -0.00000   0.00000  -0.00000   2.04948
   R42        2.65587  -0.00000   0.00000  -0.00000  -0.00000   2.65587
   R43        2.65571  -0.00000   0.00000  -0.00000  -0.00000   2.65571
   R44        2.65547   0.00000   0.00000  -0.00000   0.00000   2.65547
   R45        2.65553  -0.00000   0.00000  -0.00000  -0.00000   2.65553
   R46        2.65545   0.00000   0.00000  -0.00000   0.00000   2.65545
   R47        2.65557  -0.00000   0.00000  -0.00000  -0.00000   2.65557
   R48        2.62905  -0.00000  -0.00000  -0.00000  -0.00000   2.62905
   R49        2.05131  -0.00000   0.00000  -0.00000  -0.00000   2.05131
   R50        2.64728   0.00000  -0.00000   0.00000  -0.00000   2.64728
   R51        2.05000   0.00000   0.00000  -0.00000   0.00000   2.05000
   R52        2.64699  -0.00000  -0.00000   0.00000  -0.00000   2.64699
   R53        2.67988   0.00000   0.00001  -0.00000   0.00001   2.67989
   R54        2.62933   0.00000  -0.00000   0.00000   0.00000   2.62933
   R55        2.04999   0.00000   0.00000   0.00000   0.00000   2.04999
   R56        2.05148   0.00000  -0.00000   0.00000   0.00000   2.05148
   R57        2.62922  -0.00000   0.00000  -0.00000   0.00000   2.62922
   R58        2.05123  -0.00000  -0.00000  -0.00000  -0.00000   2.05123
   R59        2.64697   0.00000  -0.00000   0.00000  -0.00000   2.64697
   R60        2.05001   0.00000   0.00000  -0.00000   0.00000   2.05001
   R61        2.64697  -0.00000  -0.00000   0.00000  -0.00000   2.64697
   R62        2.68020   0.00000   0.00000   0.00000   0.00000   2.68020
   R63        2.62917   0.00000  -0.00000   0.00000   0.00000   2.62917
   R64        2.05003   0.00000   0.00000   0.00000   0.00000   2.05003
   R65        2.05143  -0.00000  -0.00000   0.00000  -0.00000   2.05143
   R66        2.62962  -0.00000  -0.00000   0.00000  -0.00000   2.62962
   R67        2.05153   0.00000  -0.00000   0.00000   0.00000   2.05153
   R68        2.64647   0.00000  -0.00000   0.00000   0.00000   2.64647
   R69        2.05015   0.00000   0.00000   0.00000   0.00000   2.05015
   R70        2.64674  -0.00000  -0.00000   0.00000  -0.00000   2.64674
   R71        2.68133   0.00000   0.00000   0.00000   0.00000   2.68133
   R72        2.62929   0.00000  -0.00000   0.00000   0.00000   2.62929
   R73        2.05012   0.00000   0.00000   0.00000   0.00000   2.05012
   R74        2.05137  -0.00000  -0.00000   0.00000  -0.00000   2.05137
   R75        2.64740   0.00000  -0.00000   0.00000  -0.00000   2.64740
   R76        2.64740  -0.00000  -0.00000   0.00000  -0.00000   2.64740
   R77        2.64754   0.00000  -0.00000   0.00000  -0.00000   2.64754
   R78        2.64763   0.00000  -0.00000   0.00000  -0.00000   2.64763
   R79        2.64686   0.00000  -0.00000   0.00000  -0.00000   2.64686
   R80        2.64650   0.00000  -0.00000   0.00000  -0.00000   2.64650
   R81        2.67970   0.00000   0.00000   0.00000   0.00000   2.67970
   R82        2.64106  -0.00000  -0.00000  -0.00000  -0.00000   2.64106
   R83        2.73645  -0.00000   0.00000  -0.00000   0.00000   2.73645
   R84        2.64486   0.00000  -0.00000   0.00000   0.00000   2.64486
   R85        2.67966   0.00000   0.00000   0.00000   0.00000   2.67966
   R86        2.64488  -0.00000  -0.00000  -0.00000  -0.00000   2.64488
   R87        2.64104   0.00000  -0.00000   0.00000  -0.00000   2.64104
   R88        2.67973   0.00000  -0.00000   0.00000   0.00000   2.67973
   R89        2.64111  -0.00000  -0.00000   0.00000  -0.00000   2.64111
   R90        2.73640  -0.00000   0.00000  -0.00000   0.00000   2.73640
   R91        2.64489   0.00000   0.00000  -0.00000   0.00000   2.64489
   R92        2.67977   0.00000   0.00000   0.00000   0.00000   2.67977
   R93        2.64487   0.00000   0.00000  -0.00000   0.00000   2.64487
   R94        2.64108  -0.00000  -0.00000   0.00000  -0.00000   2.64108
   R95        2.67989   0.00000   0.00000   0.00000   0.00000   2.67990
   R96        2.64113  -0.00000  -0.00000   0.00000  -0.00000   2.64113
   R97        2.73635  -0.00000   0.00000  -0.00000   0.00000   2.73635
   R98        2.64499   0.00000   0.00000  -0.00000  -0.00000   2.64499
   R99        2.68004   0.00000  -0.00000   0.00000   0.00000   2.68005
   R100       2.64492   0.00000   0.00000  -0.00000   0.00000   2.64492
   R101       2.64115  -0.00000  -0.00000   0.00000  -0.00000   2.64115
   R102       2.62966   0.00000   0.00000  -0.00000   0.00000   2.62966
   R103       2.05272  -0.00000  -0.00000   0.00000  -0.00000   2.05272
   R104       2.65529   0.00000  -0.00000   0.00000  -0.00000   2.65529
   R105       2.05144  -0.00000  -0.00000   0.00000   0.00000   2.05144
   R106       2.63265   0.00000   0.00000   0.00000   0.00000   2.63266
   R107       2.05228  -0.00000  -0.00000   0.00000   0.00000   2.05228
   R108       2.04890   0.00000   0.00000   0.00000   0.00000   2.04890
   R109       2.63266   0.00000   0.00000  -0.00000   0.00000   2.63266
   R110       2.04890   0.00000   0.00000  -0.00000   0.00000   2.04890
   R111       2.65529  -0.00000  -0.00000  -0.00000  -0.00000   2.65529
   R112       2.05231  -0.00000   0.00000  -0.00000  -0.00000   2.05231
   R113       2.62969   0.00000   0.00000  -0.00000   0.00000   2.62969
   R114       2.05147   0.00000  -0.00000   0.00000   0.00000   2.05147
   R115       2.05272  -0.00000  -0.00000   0.00000  -0.00000   2.05272
   R116       2.62968   0.00000   0.00000  -0.00000   0.00000   2.62968
   R117       2.05275  -0.00000   0.00000  -0.00000  -0.00000   2.05275
   R118       2.65533   0.00000  -0.00000   0.00000  -0.00000   2.65533
   R119       2.05148  -0.00000   0.00000  -0.00000  -0.00000   2.05148
   R120       2.63264   0.00000   0.00000   0.00000   0.00000   2.63264
   R121       2.05230  -0.00000  -0.00000   0.00000  -0.00000   2.05230
   R122       2.04890   0.00000   0.00000   0.00000   0.00000   2.04890
   R123       2.63263   0.00000   0.00000   0.00000   0.00000   2.63263
   R124       2.04891   0.00000   0.00000   0.00000   0.00000   2.04891
   R125       2.65536   0.00000  -0.00000   0.00000  -0.00000   2.65536
   R126       2.05229  -0.00000  -0.00000   0.00000  -0.00000   2.05229
   R127       2.62967   0.00000   0.00000  -0.00000   0.00000   2.62968
   R128       2.05147   0.00000   0.00000  -0.00000   0.00000   2.05147
   R129       2.05274  -0.00000   0.00000  -0.00000  -0.00000   2.05274
   R130       2.62974   0.00000   0.00000  -0.00000   0.00000   2.62974
   R131       2.05276  -0.00000   0.00000  -0.00000  -0.00000   2.05276
   R132       2.65543   0.00000  -0.00000  -0.00000  -0.00000   2.65543
   R133       2.05150  -0.00000   0.00000  -0.00000  -0.00000   2.05150
   R134       2.63260   0.00000  -0.00000   0.00000   0.00000   2.63260
   R135       2.05237  -0.00000  -0.00000  -0.00000  -0.00000   2.05237
   R136       2.04898   0.00000  -0.00000   0.00000   0.00000   2.04898
   R137       2.63254   0.00000   0.00000   0.00000   0.00000   2.63254
   R138       2.04895   0.00000   0.00000   0.00000   0.00000   2.04895
   R139       2.65552  -0.00000  -0.00000  -0.00000  -0.00000   2.65551
   R140       2.05230  -0.00000  -0.00000   0.00000  -0.00000   2.05230
   R141       2.62964   0.00000   0.00000  -0.00000   0.00000   2.62964
   R142       2.05149  -0.00000   0.00000  -0.00000  -0.00000   2.05149
   R143       2.05277  -0.00000   0.00000  -0.00000  -0.00000   2.05276
   R144       2.78534  -0.00000  -0.00000  -0.00000  -0.00000   2.78533
   R145       3.03113  -0.00000   0.00000  -0.00000  -0.00000   3.03113
   R146       3.04460  -0.00000  -0.00000   0.00000  -0.00000   3.04460
   R147       2.76412   0.00000  -0.00004   0.00002  -0.00002   2.76410
   R148       2.75553   0.00000  -0.00000   0.00000   0.00000   2.75553
   R149       2.86293   0.00000   0.00001  -0.00000   0.00001   2.86294
   R150       2.06493  -0.00000   0.00000  -0.00000  -0.00000   2.06493
   R151       2.06441  -0.00000   0.00001  -0.00000   0.00000   2.06441
   R152       2.06838   0.00000  -0.00000   0.00000  -0.00000   2.06838
   R153       2.06684  -0.00000   0.00000  -0.00000  -0.00000   2.06684
   R154       2.06650  -0.00000   0.00000  -0.00000  -0.00000   2.06650
   R155       2.86355  -0.00000  -0.00000  -0.00000  -0.00000   2.86355
   R156       2.06925  -0.00000   0.00000  -0.00000   0.00000   2.06925
   R157       2.06736  -0.00000  -0.00000  -0.00000  -0.00000   2.06736
   R158       2.06626  -0.00000   0.00000  -0.00000  -0.00000   2.06626
   R159       2.06821   0.00000  -0.00000   0.00000  -0.00000   2.06821
   R160       2.06605   0.00000   0.00000  -0.00000   0.00000   2.06605
   R161       5.69914  -0.00000  -0.00053   0.00016  -0.00037   5.69877
   R162       6.43439  -0.00000   0.00068   0.00011   0.00079   6.43519
    A1        2.06407   0.00000  -0.00000   0.00000  -0.00000   2.06407
    A2        2.10898   0.00000   0.00000  -0.00000   0.00000   2.10899
    A3        2.11014  -0.00000   0.00000  -0.00000  -0.00000   2.11014
    A4        2.12747  -0.00000  -0.00000  -0.00000  -0.00001   2.12746
    A5        2.07059   0.00000   0.00001   0.00000   0.00001   2.07061
    A6        2.08439  -0.00000  -0.00001  -0.00000  -0.00001   2.08438
    A7        2.07147   0.00000   0.00001  -0.00000   0.00001   2.07148
    A8        2.14624  -0.00000   0.00000   0.00000   0.00000   2.14625
    A9        2.06237  -0.00000  -0.00001  -0.00000  -0.00001   2.06236
   A10        2.09064   0.00000  -0.00001   0.00000  -0.00000   2.09063
   A11        2.09583  -0.00000   0.00000  -0.00000  -0.00000   2.09582
   A12        2.09624   0.00000   0.00000   0.00000   0.00000   2.09624
   A13        2.10513  -0.00000  -0.00000  -0.00000  -0.00000   2.10513
   A14        2.06662   0.00000   0.00000  -0.00000   0.00000   2.06662
   A15        2.11135   0.00000  -0.00000   0.00000  -0.00000   2.11135
   A16        2.10608   0.00000   0.00000  -0.00000   0.00000   2.10609
   A17        2.08878   0.00000   0.00000  -0.00000   0.00000   2.08878
   A18        2.08831  -0.00000  -0.00001   0.00000  -0.00000   2.08830
   A19        2.09437   0.00000  -0.00001   0.00000  -0.00000   2.09436
   A20        2.10623  -0.00000  -0.00000  -0.00000  -0.00001   2.10622
   A21        2.07543   0.00000   0.00001   0.00000   0.00001   2.07544
   A22        2.07059   0.00000   0.00001  -0.00000   0.00001   2.07060
   A23        2.06836  -0.00000  -0.00001  -0.00000  -0.00001   2.06836
   A24        2.14009  -0.00000  -0.00000   0.00000  -0.00000   2.14009
   A25        1.93177  -0.00000   0.00000  -0.00001  -0.00001   1.93176
   A26        2.04754  -0.00000   0.00000  -0.00000   0.00000   2.04754
   A27        1.87057   0.00000  -0.00000   0.00001   0.00000   1.87058
   A28        2.00875   0.00000   0.00002  -0.00001   0.00001   2.00876
   A29        1.70263  -0.00000  -0.00001   0.00000  -0.00001   1.70263
   A30        2.02174  -0.00000   0.00000  -0.00000   0.00000   2.02174
   A31        2.08502  -0.00000  -0.00001   0.00000  -0.00001   2.08501
   A32        2.17392   0.00000   0.00000  -0.00000   0.00000   2.17392
   A33        2.13654  -0.00000  -0.00000   0.00000  -0.00000   2.13653
   A34        2.07725  -0.00000   0.00000  -0.00000  -0.00000   2.07725
   A35        2.06654   0.00000   0.00000   0.00000   0.00001   2.06655
   A36        2.05323  -0.00000  -0.00000  -0.00000  -0.00000   2.05323
   A37        2.10948   0.00000  -0.00000   0.00000   0.00000   2.10948
   A38        2.11977  -0.00000   0.00000  -0.00000   0.00000   2.11978
   A39        2.10841   0.00000   0.00000   0.00000   0.00000   2.10842
   A40        2.09452  -0.00000   0.00000  -0.00000  -0.00000   2.09452
   A41        2.08004  -0.00000  -0.00000   0.00000  -0.00000   2.08004
   A42        2.11910   0.00000   0.00000   0.00000   0.00000   2.11910
   A43        2.10111   0.00000   0.00000  -0.00000   0.00000   2.10112
   A44        2.06265  -0.00000  -0.00000  -0.00000  -0.00001   2.06265
   A45        2.08330  -0.00000  -0.00000   0.00000   0.00000   2.08330
   A46        2.06065   0.00000   0.00001   0.00000   0.00001   2.06066
   A47        2.08477  -0.00000  -0.00002   0.00000  -0.00001   2.08476
   A48        2.08891  -0.00000  -0.00006   0.00001  -0.00005   2.08887
   A49        1.56426   0.00000   0.00001   0.00001   0.00002   1.56429
   A50        2.07905   0.00000  -0.00001   0.00000  -0.00001   2.07905
   A51        2.15095  -0.00000   0.00001  -0.00001   0.00000   2.15095
   A52        2.05238  -0.00000  -0.00000   0.00000   0.00000   2.05238
   A53        2.14009  -0.00000   0.00000  -0.00000  -0.00000   2.14009
   A54        2.10350   0.00000   0.00001  -0.00000   0.00000   2.10350
   A55        2.03943  -0.00000  -0.00001   0.00000  -0.00000   2.03942
   A56        2.07956  -0.00000  -0.00002   0.00000  -0.00001   2.07954
   A57        2.10993  -0.00000  -0.00000  -0.00000  -0.00000   2.10992
   A58        2.10625   0.00000   0.00001  -0.00000   0.00001   2.10626
   A59        2.06701  -0.00000  -0.00001   0.00000  -0.00000   2.06700
   A60        2.13222  -0.00000   0.00000  -0.00000   0.00000   2.13222
   A61        2.06358  -0.00000  -0.00001   0.00000  -0.00000   2.06357
   A62        2.08720   0.00000   0.00000  -0.00000   0.00000   2.08721
   A63        2.03858  -0.00000  -0.00000   0.00000  -0.00000   2.03858
   A64        2.12228  -0.00000   0.00000  -0.00000   0.00000   2.12228
   A65        2.12231   0.00000  -0.00000   0.00000  -0.00000   2.12231
   A66        2.12956   0.00000  -0.00000   0.00000  -0.00000   2.12956
   A67        2.03245  -0.00000   0.00000  -0.00000  -0.00000   2.03245
   A68        2.12082   0.00000   0.00000   0.00000   0.00000   2.12082
   A69        2.11186  -0.00000  -0.00000   0.00000  -0.00000   2.11185
   A70        2.11631  -0.00000  -0.00000  -0.00000  -0.00000   2.11631
   A71        2.05502   0.00000   0.00000   0.00000   0.00000   2.05502
   A72        2.11662  -0.00000  -0.00000  -0.00000  -0.00000   2.11662
   A73        2.11064  -0.00000  -0.00000   0.00000  -0.00000   2.11063
   A74        2.05593   0.00000   0.00001   0.00000   0.00001   2.05594
   A75        2.11516  -0.00000  -0.00000  -0.00000  -0.00000   2.11516
   A76        2.11321   0.00000   0.00000  -0.00000   0.00000   2.11321
   A77        2.05482   0.00000   0.00000   0.00000   0.00000   2.05482
   A78        2.11689  -0.00000  -0.00000   0.00000  -0.00000   2.11689
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   D273      -3.12931  -0.00000   0.00001  -0.00001  -0.00000  -3.12931
   D274       3.11265   0.00000   0.00000   0.00000   0.00001   3.11266
   D275      -0.01851  -0.00000   0.00001  -0.00001   0.00001  -0.01850
   D276       3.12152   0.00000  -0.00000   0.00001   0.00001   3.12153
   D277      -0.01242   0.00000  -0.00001   0.00001   0.00000  -0.01242
   D278       0.01766   0.00000  -0.00001   0.00000  -0.00001   0.01766
   D279      -3.11629  -0.00000  -0.00002   0.00000  -0.00001  -3.11630
   D280      -0.00225  -0.00000   0.00000  -0.00000   0.00000  -0.00225
   D281       3.12684  -0.00000  -0.00002   0.00001  -0.00001   3.12683
   D282       3.12681   0.00000  -0.00001   0.00001  -0.00000   3.12681
   D283      -0.02728   0.00000  -0.00003   0.00002  -0.00001  -0.02729
   D284       0.00582   0.00000  -0.00001   0.00000  -0.00000   0.00582
   D285      -3.14092  -0.00000  -0.00001   0.00000  -0.00000  -3.14093
   D286      -3.12199  -0.00000   0.00000  -0.00001  -0.00000  -3.12199
   D287       0.01445  -0.00000   0.00001  -0.00001  -0.00000   0.01445
   D288       0.00184   0.00000   0.00000   0.00000   0.00000   0.00185
   D289       3.11288  -0.00000   0.00000   0.00000   0.00000   3.11288
   D290      -3.12934   0.00000   0.00002  -0.00001   0.00001  -3.12933
   D291      -0.01831  -0.00000   0.00002  -0.00001   0.00001  -0.01830
   D292      -3.12199   0.00000   0.00001  -0.00000   0.00000  -3.12199
   D293       0.01454   0.00000   0.00001  -0.00001   0.00001   0.01455
   D294       0.00585   0.00000  -0.00001   0.00000  -0.00001   0.00584
   D295      -3.14080   0.00000  -0.00001   0.00000  -0.00000  -3.14080
   D296       3.12158  -0.00000  -0.00001   0.00000  -0.00001   3.12157
   D297      -0.01328  -0.00000  -0.00002   0.00000  -0.00001  -0.01329
   D298       0.01743   0.00000  -0.00001   0.00000  -0.00001   0.01743
   D299      -3.11742  -0.00000  -0.00002   0.00000  -0.00001  -3.11744
   D300      -0.00179  -0.00000   0.00000  -0.00000   0.00000  -0.00179
   D301       3.12957   0.00000  -0.00001   0.00001  -0.00001   3.12956
   D302      -3.11368   0.00000  -0.00000  -0.00000  -0.00000  -3.11369
   D303       0.01767   0.00000  -0.00001   0.00001  -0.00001   0.01766
   D304      -3.12204   0.00000   0.00001  -0.00000   0.00000  -3.12204
   D305       0.01292   0.00000   0.00001  -0.00000   0.00001   0.01293
   D306      -0.01682  -0.00000   0.00001  -0.00000   0.00000  -0.01682
   D307       3.11814   0.00000   0.00001  -0.00000   0.00001   3.11815
   D308       0.00219   0.00000  -0.00000   0.00000  -0.00000   0.00219
   D309      -3.12739  -0.00000   0.00001  -0.00001   0.00000  -3.12738
   D310      -3.12711  -0.00000   0.00001  -0.00001   0.00001  -3.12710
   D311       0.02650  -0.00000   0.00003  -0.00002   0.00001   0.02652
   D312      -0.00564  -0.00000   0.00001  -0.00000   0.00000  -0.00563
   D313       3.14089  -0.00000   0.00001  -0.00000   0.00000   3.14090
   D314       3.12243  -0.00000  -0.00001   0.00000  -0.00000   3.12242
   D315      -0.01423   0.00000  -0.00001   0.00000  -0.00000  -0.01423
   D316      -0.00181  -0.00000   0.00000  -0.00000   0.00000  -0.00181
   D317      -3.11396  -0.00000  -0.00000  -0.00000  -0.00000  -3.11396
   D318       3.12978   0.00000  -0.00001   0.00001  -0.00000   3.12978
   D319       0.01763   0.00000  -0.00001   0.00001  -0.00001   0.01762
   D320       3.12275   0.00000  -0.00001   0.00001  -0.00000   3.12275
   D321      -0.01389   0.00000  -0.00001   0.00001  -0.00000  -0.01390
   D322      -0.00562  -0.00000   0.00001  -0.00001   0.00000  -0.00562
   D323       3.14092  -0.00000   0.00001  -0.00000   0.00000   3.14092
   D324      -3.12231  -0.00000   0.00001  -0.00001   0.00000  -3.12231
   D325       0.01267  -0.00000   0.00001  -0.00001   0.00000   0.01268
   D326      -0.01679  -0.00000   0.00001  -0.00000   0.00000  -0.01678
   D327       3.11820  -0.00000   0.00001  -0.00001   0.00001   3.11821
   D328       0.00674  -0.00000   0.00000  -0.00000   0.00000   0.00674
   D329      -3.13999   0.00000   0.00000   0.00000   0.00000  -3.13998
   D330      -3.12985   0.00000  -0.00000  -0.00000  -0.00000  -3.12985
   D331       0.00660   0.00000   0.00000   0.00000   0.00000   0.00660
   D332      -0.00739  -0.00000   0.00000  -0.00000   0.00000  -0.00739
   D333       3.13102  -0.00000   0.00000  -0.00000   0.00000   3.13103
   D334       3.13933  -0.00000   0.00000  -0.00000  -0.00000   3.13933
   D335      -0.00545  -0.00000  -0.00000  -0.00000  -0.00000  -0.00545
   D336      -0.00477  -0.00000  -0.00000   0.00000  -0.00000  -0.00477
   D337       3.13001   0.00000   0.00000   0.00000   0.00000   3.13001
   D338       3.13999   0.00000  -0.00000   0.00000   0.00000   3.13999
   D339      -0.00842   0.00000   0.00000   0.00000   0.00001  -0.00841
   D340      -0.00472  -0.00000  -0.00000   0.00000  -0.00000  -0.00472
   D341       3.14050   0.00000  -0.00000   0.00000  -0.00000   3.14050
   D342       3.12923   0.00000   0.00000   0.00000   0.00000   3.12924
   D343      -0.00874   0.00000   0.00001   0.00000   0.00001  -0.00873
   D344      -0.00762  -0.00000   0.00000  -0.00000   0.00000  -0.00762
   D345       3.13955  -0.00000   0.00000  -0.00000   0.00000   3.13955
   D346       3.13033  -0.00000   0.00000  -0.00000   0.00000   3.13033
   D347      -0.00568  -0.00000   0.00000  -0.00000  -0.00000  -0.00568
   D348       0.00688  -0.00000   0.00000  -0.00000   0.00000   0.00688
   D349      -3.12946   0.00000  -0.00000   0.00000   0.00000  -3.12946
   D350      -3.14031   0.00000   0.00000   0.00000   0.00000  -3.14030
   D351       0.00654   0.00000   0.00000   0.00000   0.00000   0.00654
   D352       0.00663  -0.00000  -0.00000  -0.00000  -0.00000   0.00663
   D353      -3.14007   0.00000   0.00000   0.00000   0.00000  -3.14007
   D354      -3.12989  -0.00000  -0.00000   0.00000  -0.00000  -3.12990
   D355       0.00658   0.00000  -0.00000   0.00000  -0.00000   0.00658
   D356      -0.00737   0.00000   0.00001  -0.00000   0.00000  -0.00736
   D357       3.13107  -0.00000   0.00000  -0.00000   0.00000   3.13107
   D358       3.13933  -0.00000   0.00000  -0.00000   0.00000   3.13933
   D359      -0.00542  -0.00000   0.00000  -0.00000  -0.00000  -0.00542
   D360      -0.00466  -0.00000  -0.00000  -0.00000  -0.00000  -0.00466
   D361       3.13022   0.00000   0.00001  -0.00000   0.00001   3.13023
   D362       3.14008   0.00000   0.00000  -0.00000   0.00000   3.14008
   D363      -0.00822   0.00000   0.00001  -0.00000   0.00001  -0.00821
   D364      -0.00469  -0.00000  -0.00000   0.00000  -0.00000  -0.00469
   D365       3.14053   0.00000   0.00000  -0.00000   0.00000   3.14053
   D366       3.12929   0.00000   0.00000  -0.00000   0.00000   3.12929
   D367      -0.00868   0.00000   0.00001  -0.00000   0.00001  -0.00868
   D368      -0.00756   0.00000   0.00001  -0.00000   0.00000  -0.00756
   D369       3.13954  -0.00000   0.00000  -0.00000  -0.00000   3.13954
   D370       3.13040  -0.00000   0.00000  -0.00000   0.00000   3.13040
   D371      -0.00569  -0.00000   0.00000  -0.00000  -0.00000  -0.00569
   D372       0.00685  -0.00000  -0.00000  -0.00000  -0.00000   0.00685
   D373      -3.12958   0.00000  -0.00000   0.00000  -0.00000  -3.12958
   D374      -3.14027   0.00000   0.00000   0.00000   0.00000  -3.14026
   D375       0.00649   0.00000   0.00000   0.00000   0.00000   0.00649
   D376      -0.00641   0.00000  -0.00000   0.00000   0.00000  -0.00641
   D377       3.14021  -0.00000  -0.00000  -0.00000  -0.00000   3.14021
   D378       3.13023  -0.00000   0.00000  -0.00000   0.00000   3.13023
   D379      -0.00634  -0.00000   0.00000  -0.00000  -0.00000  -0.00634
   D380       0.00712   0.00000  -0.00001   0.00000  -0.00000   0.00712
   D381      -3.13124   0.00000  -0.00000   0.00000  -0.00000  -3.13124
   D382      -3.13949   0.00000  -0.00000   0.00000  -0.00000  -3.13949
   D383       0.00534   0.00000  -0.00000   0.00000   0.00000   0.00534
   D384       0.00447   0.00000   0.00000  -0.00000   0.00000   0.00447
   D385      -3.13054  -0.00000  -0.00000   0.00000  -0.00000  -3.13054
   D386      -3.14035  -0.00000  -0.00000   0.00000  -0.00000  -3.14035
   D387       0.00783  -0.00000  -0.00001   0.00000  -0.00001   0.00783
   D388       0.00448   0.00000   0.00000  -0.00000   0.00000   0.00448
   D389      -3.14026  -0.00000   0.00000  -0.00000  -0.00000  -3.14026
   D390      -3.13051  -0.00000  -0.00000  -0.00000  -0.00000  -3.13051
   D391       0.00794  -0.00000  -0.00001  -0.00000  -0.00001   0.00793
   D392       0.00713  -0.00000  -0.00001   0.00000  -0.00000   0.00713
   D393      -3.13942   0.00000  -0.00000   0.00000  -0.00000  -3.13942
   D394      -3.13130   0.00000  -0.00000   0.00000  -0.00000  -3.13130
   D395       0.00533   0.00000  -0.00000   0.00000   0.00000   0.00533
   D396      -0.00642   0.00000  -0.00000   0.00000   0.00000  -0.00642
   D397       3.13023  -0.00000   0.00000  -0.00000   0.00000   3.13023
   D398       3.14015  -0.00000  -0.00000   0.00000  -0.00000   3.14015
   D399      -0.00639  -0.00000  -0.00000  -0.00000  -0.00000  -0.00639
   D400       1.63514  -0.00000  -0.00002   0.00005   0.00003   1.63517
   D401      -0.62838  -0.00000  -0.00003   0.00005   0.00002  -0.62835
   D402      -2.84919  -0.00000  -0.00003   0.00005   0.00002  -2.84917
   D403      -3.09534   0.00000   0.00012  -0.00000   0.00012  -3.09523
   D404      -0.92044   0.00000   0.00013  -0.00001   0.00012  -0.92032
   D405       1.29840   0.00000   0.00013  -0.00001   0.00012   1.29852
   D406       2.78652   0.00000   0.00032  -0.00005   0.00027   2.78680
   D407      -1.38506  -0.00000   0.00032  -0.00005   0.00027  -1.38479
   D408       0.66254   0.00000   0.00035  -0.00005   0.00030   0.66283
   D409       2.99969   0.00000   0.00017   0.00031   0.00048   3.00017
   D410      -1.17378   0.00000   0.00017   0.00031   0.00048  -1.17330
   D411       0.88348   0.00000   0.00017   0.00031   0.00048   0.88396
   D412       3.11904   0.00000   0.00004  -0.00000   0.00003   3.11907
   D413      -1.07738   0.00000   0.00004  -0.00000   0.00003  -1.07734
   D414       1.03310   0.00000   0.00003  -0.00000   0.00003   1.03313
   D415       1.05366   0.00000   0.00000   0.00000   0.00001   1.05367
   D416       3.14043   0.00000   0.00001   0.00000   0.00001   3.14044
   D417      -1.03228   0.00000  -0.00000   0.00000   0.00000  -1.03227
   D418      -1.08187  -0.00000   0.00003  -0.00001   0.00003  -1.08185
   D419       1.00489  -0.00000   0.00003  -0.00001   0.00003   1.00492
   D420       3.11537  -0.00000   0.00003  -0.00001   0.00002   3.11539
   D421       1.25246  -0.00000  -0.00021  -0.00002  -0.00023   1.25224
   D422      -2.96898  -0.00000  -0.00021  -0.00002  -0.00023  -2.96920
   D423      -0.79574  -0.00000  -0.00025  -0.00001  -0.00026  -0.79600
   D424      -1.41879  -0.00000  -0.00012   0.00002  -0.00010  -1.41888
   D425       2.79242   0.00000  -0.00010   0.00002  -0.00008   2.79234
   D426       0.62210   0.00000  -0.00007   0.00002  -0.00005   0.62205
   D427       1.04675   0.00000   0.00002   0.00004   0.00006   1.04681
   D428       3.13645   0.00000   0.00002   0.00004   0.00006   3.13651
   D429      -1.05834   0.00000   0.00002   0.00004   0.00006  -1.05828
   D430      -1.02717  -0.00000   0.00001   0.00003   0.00004  -1.02712
   D431       1.06254  -0.00000   0.00001   0.00003   0.00004   1.06258
   D432      -3.13225  -0.00000   0.00001   0.00003   0.00004  -3.13221
   D433       3.12702  -0.00000   0.00001   0.00003   0.00005   3.12707
   D434      -1.06646   0.00000   0.00001   0.00004   0.00005  -1.06641
   D435       1.02193   0.00000   0.00001   0.00004   0.00005   1.02198
   D436      -1.31854   0.00000   0.00018   0.00005   0.00024  -1.31830
   D437      -1.22507  -0.00000   0.00014   0.00004   0.00018  -1.22489
   D438       0.43153   0.00000   0.00010   0.00000   0.00011   0.43164
   D439       1.11008  -0.00000   0.00004   0.00004   0.00008   1.11016
   D440       0.92866  -0.00000   0.00003   0.00003   0.00006   0.92872
   D441      -0.39554  -0.00000  -0.00003  -0.00001  -0.00004  -0.39558
         Item               Value     Threshold  Converged?
 Maximum Force            0.000012     0.000450     YES
 RMS     Force            0.000001     0.000300     YES
 Maximum Displacement     0.001686     0.001800     YES
 RMS     Displacement     0.000246     0.001200     YES
 Predicted change in Energy=-3.245068D-09
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.4009         -DE/DX =    0.0                 !
 ! R2    R(1,6)                  1.4078         -DE/DX =    0.0                 !
 ! R3    R(1,23)                 1.4829         -DE/DX =    0.0                 !
 ! R4    R(2,3)                  1.4002         -DE/DX =    0.0                 !
 ! R5    R(2,88)                 1.0842         -DE/DX =    0.0                 !
 ! R6    R(3,4)                  1.4102         -DE/DX =    0.0                 !
 ! R7    R(3,7)                  1.4767         -DE/DX =    0.0                 !
 ! R8    R(4,5)                  1.4005         -DE/DX =    0.0                 !
 ! R9    R(4,10)                 1.4719         -DE/DX =    0.0                 !
 ! R10   R(5,6)                  1.3866         -DE/DX =    0.0                 !
 ! R11   R(5,89)                 1.084          -DE/DX =    0.0                 !
 ! R12   R(6,90)                 1.0853         -DE/DX =    0.0                 !
 ! R13   R(7,8)                  1.4175         -DE/DX =    0.0                 !
 ! R14   R(7,11)                 1.3994         -DE/DX =    0.0                 !
 ! R15   R(8,9)                  1.5051         -DE/DX =    0.0                 !
 ! R16   R(8,14)                 1.399          -DE/DX =    0.0                 !
 ! R17   R(9,10)                 1.5081         -DE/DX =    0.0                 !
 ! R18   R(9,15)                 1.4314         -DE/DX =    0.0                 !
 ! R19   R(9,143)                2.0656         -DE/DX =    0.0                 !
 ! R20   R(10,18)                1.2869         -DE/DX =    0.0                 !
 ! R21   R(11,12)                1.4008         -DE/DX =    0.0                 !
 ! R22   R(11,91)                1.0837         -DE/DX =    0.0                 !
 ! R23   R(12,13)                1.402          -DE/DX =    0.0                 !
 ! R24   R(12,24)                1.4823         -DE/DX =    0.0                 !
 ! R25   R(13,14)                1.3891         -DE/DX =    0.0                 !
 ! R26   R(13,92)                1.085          -DE/DX =    0.0                 !
 ! R27   R(14,93)                1.0801         -DE/DX =    0.0                 !
 ! R28   R(15,16)                1.4277         -DE/DX =    0.0                 !
 ! R29   R(15,81)                1.7573         -DE/DX =    0.0                 !
 ! R30   R(15,143)               2.8308         -DE/DX =    0.0                 !
 ! R31   R(16,17)                1.4132         -DE/DX =    0.0                 !
 ! R32   R(16,19)                1.4037         -DE/DX =    0.0                 !
 ! R33   R(17,18)                1.3852         -DE/DX =    0.0                 !
 ! R34   R(17,22)                1.402          -DE/DX =    0.0                 !
 ! R35   R(19,20)                1.3894         -DE/DX =    0.0                 !
 ! R36   R(19,94)                1.0784         -DE/DX =    0.0                 !
 ! R37   R(20,21)                1.4066         -DE/DX =    0.0                 !
 ! R38   R(20,95)                1.0855         -DE/DX =    0.0                 !
 ! R39   R(21,22)                1.394          -DE/DX =    0.0                 !
 ! R40   R(21,25)                1.4824         -DE/DX =    0.0                 !
 ! R41   R(22,96)                1.0845         -DE/DX =    0.0                 !
 ! R42   R(23,31)                1.4054         -DE/DX =    0.0                 !
 ! R43   R(23,35)                1.4053         -DE/DX =    0.0                 !
 ! R44   R(24,26)                1.4052         -DE/DX =    0.0                 !
 ! R45   R(24,30)                1.4052         -DE/DX =    0.0                 !
 ! R46   R(25,36)                1.4052         -DE/DX =    0.0                 !
 ! R47   R(25,40)                1.4053         -DE/DX =    0.0                 !
 ! R48   R(26,27)                1.3912         -DE/DX =    0.0                 !
 ! R49   R(26,97)                1.0855         -DE/DX =    0.0                 !
 ! R50   R(27,28)                1.4009         -DE/DX =    0.0                 !
 ! R51   R(27,98)                1.0848         -DE/DX =    0.0                 !
 ! R52   R(28,29)                1.4007         -DE/DX =    0.0                 !
 ! R53   R(28,42)                1.4181         -DE/DX =    0.0                 !
 ! R54   R(29,30)                1.3914         -DE/DX =    0.0                 !
 ! R55   R(29,99)                1.0848         -DE/DX =    0.0                 !
 ! R56   R(30,100)               1.0856         -DE/DX =    0.0                 !
 ! R57   R(31,32)                1.3913         -DE/DX =    0.0                 !
 ! R58   R(31,101)               1.0855         -DE/DX =    0.0                 !
 ! R59   R(32,33)                1.4007         -DE/DX =    0.0                 !
 ! R60   R(32,102)               1.0848         -DE/DX =    0.0                 !
 ! R61   R(33,34)                1.4007         -DE/DX =    0.0                 !
 ! R62   R(33,41)                1.4183         -DE/DX =    0.0                 !
 ! R63   R(34,35)                1.3913         -DE/DX =    0.0                 !
 ! R64   R(34,103)               1.0848         -DE/DX =    0.0                 !
 ! R65   R(35,104)               1.0856         -DE/DX =    0.0                 !
 ! R66   R(36,37)                1.3915         -DE/DX =    0.0                 !
 ! R67   R(36,105)               1.0856         -DE/DX =    0.0                 !
 ! R68   R(37,38)                1.4005         -DE/DX =    0.0                 !
 ! R69   R(37,106)               1.0849         -DE/DX =    0.0                 !
 ! R70   R(38,39)                1.4006         -DE/DX =    0.0                 !
 ! R71   R(38,43)                1.4189         -DE/DX =    0.0                 !
 ! R72   R(39,40)                1.3914         -DE/DX =    0.0                 !
 ! R73   R(39,107)               1.0849         -DE/DX =    0.0                 !
 ! R74   R(40,108)               1.0855         -DE/DX =    0.0                 !
 ! R75   R(41,48)                1.4009         -DE/DX =    0.0                 !
 ! R76   R(41,51)                1.4009         -DE/DX =    0.0                 !
 ! R77   R(42,44)                1.401          -DE/DX =    0.0                 !
 ! R78   R(42,47)                1.4011         -DE/DX =    0.0                 !
 ! R79   R(43,52)                1.4007         -DE/DX =    0.0                 !
 ! R80   R(43,55)                1.4005         -DE/DX =    0.0                 !
 ! R81   R(44,45)                1.418          -DE/DX =    0.0                 !
 ! R82   R(44,60)                1.3976         -DE/DX =    0.0                 !
 ! R83   R(45,46)                1.4481         -DE/DX =    0.0                 !
 ! R84   R(45,63)                1.3996         -DE/DX =    0.0                 !
 ! R85   R(46,47)                1.418          -DE/DX =    0.0                 !
 ! R86   R(46,56)                1.3996         -DE/DX =    0.0                 !
 ! R87   R(47,59)                1.3976         -DE/DX =    0.0                 !
 ! R88   R(48,49)                1.4181         -DE/DX =    0.0                 !
 ! R89   R(48,68)                1.3976         -DE/DX =    0.0                 !
 ! R90   R(49,50)                1.448          -DE/DX =    0.0                 !
 ! R91   R(49,71)                1.3996         -DE/DX =    0.0                 !
 ! R92   R(50,51)                1.4181         -DE/DX =    0.0                 !
 ! R93   R(50,64)                1.3996         -DE/DX =    0.0                 !
 ! R94   R(51,67)                1.3976         -DE/DX =    0.0                 !
 ! R95   R(52,53)                1.4181         -DE/DX =    0.0                 !
 ! R96   R(52,76)                1.3976         -DE/DX =    0.0                 !
 ! R97   R(53,54)                1.448          -DE/DX =    0.0                 !
 ! R98   R(53,79)                1.3997         -DE/DX =    0.0                 !
 ! R99   R(54,55)                1.4182         -DE/DX =    0.0                 !
 ! R100  R(54,72)                1.3996         -DE/DX =    0.0                 !
 ! R101  R(55,75)                1.3976         -DE/DX =    0.0                 !
 ! R102  R(56,57)                1.3916         -DE/DX =    0.0                 !
 ! R103  R(56,109)               1.0863         -DE/DX =    0.0                 !
 ! R104  R(57,58)                1.4051         -DE/DX =    0.0                 !
 ! R105  R(57,110)               1.0856         -DE/DX =    0.0                 !
 ! R106  R(58,59)                1.3931         -DE/DX =    0.0                 !
 ! R107  R(58,111)               1.086          -DE/DX =    0.0                 !
 ! R108  R(59,112)               1.0842         -DE/DX =    0.0                 !
 ! R109  R(60,61)                1.3931         -DE/DX =    0.0                 !
 ! R110  R(60,113)               1.0842         -DE/DX =    0.0                 !
 ! R111  R(61,62)                1.4051         -DE/DX =    0.0                 !
 ! R112  R(61,114)               1.086          -DE/DX =    0.0                 !
 ! R113  R(62,63)                1.3916         -DE/DX =    0.0                 !
 ! R114  R(62,115)               1.0856         -DE/DX =    0.0                 !
 ! R115  R(63,116)               1.0863         -DE/DX =    0.0                 !
 ! R116  R(64,65)                1.3916         -DE/DX =    0.0                 !
 ! R117  R(64,117)               1.0863         -DE/DX =    0.0                 !
 ! R118  R(65,66)                1.4051         -DE/DX =    0.0                 !
 ! R119  R(65,118)               1.0856         -DE/DX =    0.0                 !
 ! R120  R(66,67)                1.3931         -DE/DX =    0.0                 !
 ! R121  R(66,119)               1.086          -DE/DX =    0.0                 !
 ! R122  R(67,120)               1.0842         -DE/DX =    0.0                 !
 ! R123  R(68,69)                1.3931         -DE/DX =    0.0                 !
 ! R124  R(68,121)               1.0842         -DE/DX =    0.0                 !
 ! R125  R(69,70)                1.4052         -DE/DX =    0.0                 !
 ! R126  R(69,122)               1.086          -DE/DX =    0.0                 !
 ! R127  R(70,71)                1.3916         -DE/DX =    0.0                 !
 ! R128  R(70,123)               1.0856         -DE/DX =    0.0                 !
 ! R129  R(71,124)               1.0863         -DE/DX =    0.0                 !
 ! R130  R(72,73)                1.3916         -DE/DX =    0.0                 !
 ! R131  R(72,125)               1.0863         -DE/DX =    0.0                 !
 ! R132  R(73,74)                1.4052         -DE/DX =    0.0                 !
 ! R133  R(73,126)               1.0856         -DE/DX =    0.0                 !
 ! R134  R(74,75)                1.3931         -DE/DX =    0.0                 !
 ! R135  R(74,127)               1.0861         -DE/DX =    0.0                 !
 ! R136  R(75,128)               1.0843         -DE/DX =    0.0                 !
 ! R137  R(76,77)                1.3931         -DE/DX =    0.0                 !
 ! R138  R(76,129)               1.0843         -DE/DX =    0.0                 !
 ! R139  R(77,78)                1.4052         -DE/DX =    0.0                 !
 ! R140  R(77,130)               1.086          -DE/DX =    0.0                 !
 ! R141  R(78,79)                1.3915         -DE/DX =    0.0                 !
 ! R142  R(78,131)               1.0856         -DE/DX =    0.0                 !
 ! R143  R(79,132)               1.0863         -DE/DX =    0.0                 !
 ! R144  R(80,81)                1.4739         -DE/DX =    0.0                 !
 ! R145  R(81,82)                1.604          -DE/DX =    0.0                 !
 ! R146  R(81,83)                1.6111         -DE/DX =    0.0                 !
 ! R147  R(82,84)                1.4627         -DE/DX =    0.0                 !
 ! R148  R(83,86)                1.4582         -DE/DX =    0.0                 !
 ! R149  R(84,85)                1.515          -DE/DX =    0.0                 !
 ! R150  R(84,133)               1.0927         -DE/DX =    0.0                 !
 ! R151  R(84,134)               1.0924         -DE/DX =    0.0                 !
 ! R152  R(85,135)               1.0945         -DE/DX =    0.0                 !
 ! R153  R(85,136)               1.0937         -DE/DX =    0.0                 !
 ! R154  R(85,137)               1.0935         -DE/DX =    0.0                 !
 ! R155  R(86,87)                1.5153         -DE/DX =    0.0                 !
 ! R156  R(86,138)               1.095          -DE/DX =    0.0                 !
 ! R157  R(86,139)               1.094          -DE/DX =    0.0                 !
 ! R158  R(87,140)               1.0934         -DE/DX =    0.0                 !
 ! R159  R(87,141)               1.0944         -DE/DX =    0.0                 !
 ! R160  R(87,142)               1.0933         -DE/DX =    0.0                 !
 ! R161  R(133,143)              3.0159         -DE/DX =    0.0                 !
 ! R162  R(134,143)              3.4049         -DE/DX =    0.0                 !
 ! A1    A(2,1,6)              118.2623         -DE/DX =    0.0                 !
 ! A2    A(2,1,23)             120.8359         -DE/DX =    0.0                 !
 ! A3    A(6,1,23)             120.9018         -DE/DX =    0.0                 !
 ! A4    A(1,2,3)              121.895          -DE/DX =    0.0                 !
 ! A5    A(1,2,88)             118.6363         -DE/DX =    0.0                 !
 ! A6    A(3,2,88)             119.4268         -DE/DX =    0.0                 !
 ! A7    A(2,3,4)              118.6866         -DE/DX =    0.0                 !
 ! A8    A(2,3,7)              122.9707         -DE/DX =    0.0                 !
 ! A9    A(4,3,7)              118.165          -DE/DX =    0.0                 !
 ! A10   A(3,4,5)              119.7847         -DE/DX =    0.0                 !
 ! A11   A(3,4,10)             120.0821         -DE/DX =    0.0                 !
 ! A12   A(5,4,10)             120.1057         -DE/DX =    0.0                 !
 ! A13   A(4,5,6)              120.6151         -DE/DX =    0.0                 !
 ! A14   A(4,5,89)             118.4086         -DE/DX =    0.0                 !
 ! A15   A(6,5,89)             120.9716         -DE/DX =    0.0                 !
 ! A16   A(1,6,5)              120.6697         -DE/DX =    0.0                 !
 ! A17   A(1,6,90)             119.6783         -DE/DX =    0.0                 !
 ! A18   A(5,6,90)             119.6511         -DE/DX =    0.0                 !
 ! A19   A(3,7,8)              119.9985         -DE/DX =    0.0                 !
 ! A20   A(3,7,11)             120.6778         -DE/DX =    0.0                 !
 ! A21   A(8,7,11)             118.9136         -DE/DX =    0.0                 !
 ! A22   A(7,8,9)              118.6363         -DE/DX =    0.0                 !
 ! A23   A(7,8,14)             118.5086         -DE/DX =    0.0                 !
 ! A24   A(9,8,14)             122.6184         -DE/DX =    0.0                 !
 ! A25   A(8,9,10)             110.6823         -DE/DX =    0.0                 !
 ! A26   A(8,9,15)             117.3154         -DE/DX =    0.0                 !
 ! A27   A(8,9,143)            107.1759         -DE/DX =    0.0                 !
 ! A28   A(10,9,15)            115.0927         -DE/DX =    0.0                 !
 ! A29   A(10,9,143)            97.5538         -DE/DX =    0.0                 !
 ! A30   A(4,10,9)             115.8372         -DE/DX =    0.0                 !
 ! A31   A(4,10,18)            119.4631         -DE/DX =    0.0                 !
 ! A32   A(9,10,18)            124.5564         -DE/DX =    0.0                 !
 ! A33   A(7,11,12)            122.4145         -DE/DX =    0.0                 !
 ! A34   A(7,11,91)            119.0176         -DE/DX =    0.0                 !
 ! A35   A(12,11,91)           118.4042         -DE/DX =    0.0                 !
 ! A36   A(11,12,13)           117.6415         -DE/DX =    0.0                 !
 ! A37   A(11,12,24)           120.8645         -DE/DX =    0.0                 !
 ! A38   A(13,12,24)           121.4541         -DE/DX =    0.0                 !
 ! A39   A(12,13,14)           120.8032         -DE/DX =    0.0                 !
 ! A40   A(12,13,92)           120.0073         -DE/DX =    0.0                 !
 ! A41   A(14,13,92)           119.1778         -DE/DX =    0.0                 !
 ! A42   A(8,14,13)            121.4155         -DE/DX =    0.0                 !
 ! A43   A(8,14,93)            120.3849         -DE/DX =    0.0                 !
 ! A44   A(13,14,93)           118.1814         -DE/DX =    0.0                 !
 ! A45   A(9,15,16)            119.3641         -DE/DX =    0.0                 !
 ! A46   A(9,15,81)            118.0665         -DE/DX =    0.0                 !
 ! A47   A(16,15,81)           119.4487         -DE/DX =    0.0                 !
 ! A48   A(16,15,143)          119.6859         -DE/DX =    0.0                 !
 ! A49   A(81,15,143)           89.6255         -DE/DX =    0.0                 !
 ! A50   A(15,16,17)           119.121          -DE/DX =    0.0                 !
 ! A51   A(15,16,19)           123.2403         -DE/DX =    0.0                 !
 ! A52   A(17,16,19)           117.5927         -DE/DX =    0.0                 !
 ! A53   A(16,17,18)           122.618          -DE/DX =    0.0                 !
 ! A54   A(16,17,22)           120.5214         -DE/DX =    0.0                 !
 ! A55   A(18,17,22)           116.8506         -DE/DX =    0.0                 !
 ! A56   A(10,18,17)           119.1498         -DE/DX =    0.0                 !
 ! A57   A(16,19,20)           120.8899         -DE/DX =    0.0                 !
 ! A58   A(16,19,94)           120.6793         -DE/DX =    0.0                 !
 ! A59   A(20,19,94)           118.4307         -DE/DX =    0.0                 !
 ! A60   A(19,20,21)           122.167          -DE/DX =    0.0                 !
 ! A61   A(19,20,95)           118.2343         -DE/DX =    0.0                 !
 ! A62   A(21,20,95)           119.5879         -DE/DX =    0.0                 !
 ! A63   A(20,21,22)           116.8021         -DE/DX =    0.0                 !
 ! A64   A(20,21,25)           121.5975         -DE/DX =    0.0                 !
 ! A65   A(22,21,25)           121.5996         -DE/DX =    0.0                 !
 ! A66   A(17,22,21)           122.0149         -DE/DX =    0.0                 !
 ! A67   A(17,22,96)           116.4506         -DE/DX =    0.0                 !
 ! A68   A(21,22,96)           121.5138         -DE/DX =    0.0                 !
 ! A69   A(1,23,31)            121.0004         -DE/DX =    0.0                 !
 ! A70   A(1,23,35)            121.2559         -DE/DX =    0.0                 !
 ! A71   A(31,23,35)           117.7437         -DE/DX =    0.0                 !
 ! A72   A(12,24,26)           121.2733         -DE/DX =    0.0                 !
 ! A73   A(12,24,30)           120.9305         -DE/DX =    0.0                 !
 ! A74   A(26,24,30)           117.7961         -DE/DX =    0.0                 !
 ! A75   A(21,25,36)           121.1898         -DE/DX =    0.0                 !
 ! A76   A(21,25,40)           121.0779         -DE/DX =    0.0                 !
 ! A77   A(36,25,40)           117.7322         -DE/DX =    0.0                 !
 ! A78   A(24,26,27)           121.2889         -DE/DX =    0.0                 !
 ! A79   A(24,26,97)           119.5615         -DE/DX =    0.0                 !
 ! A80   A(27,26,97)           119.0995         -DE/DX =    0.0                 !
 ! A81   A(26,27,28)           120.2213         -DE/DX =    0.0                 !
 ! A82   A(26,27,98)           120.3192         -DE/DX =    0.0                 !
 ! A83   A(28,27,98)           119.446          -DE/DX =    0.0                 !
 ! A84   A(27,28,29)           119.1781         -DE/DX =    0.0                 !
 ! A85   A(27,28,42)           120.3983         -DE/DX =    0.0                 !
 ! A86   A(29,28,42)           120.4236         -DE/DX =    0.0                 !
 ! A87   A(28,29,30)           120.1964         -DE/DX =    0.0                 !
 ! A88   A(28,29,99)           119.4657         -DE/DX =    0.0                 !
 ! A89   A(30,29,99)           120.3233         -DE/DX =    0.0                 !
 ! A90   A(24,30,29)           121.3097         -DE/DX =    0.0                 !
 ! A91   A(24,30,100)          119.4428         -DE/DX =    0.0                 !
 ! A92   A(29,30,100)          119.1936         -DE/DX =    0.0                 !
 ! A93   A(23,31,32)           121.3176         -DE/DX =    0.0                 !
 ! A94   A(23,31,101)          119.4932         -DE/DX =    0.0                 !
 ! A95   A(32,31,101)          119.1375         -DE/DX =    0.0                 !
 ! A96   A(31,32,33)           120.2201         -DE/DX =    0.0                 !
 ! A97   A(31,32,102)          120.3037         -DE/DX =    0.0                 !
 ! A98   A(33,32,102)          119.4625         -DE/DX =    0.0                 !
 ! A99   A(32,33,34)           119.1677         -DE/DX =    0.0                 !
 ! A100  A(32,33,41)           120.4343         -DE/DX =    0.0                 !
 ! A101  A(34,33,41)           120.398          -DE/DX =    0.0                 !
 ! A102  A(33,34,35)           120.2032         -DE/DX =    0.0                 !
 ! A103  A(33,34,103)          119.4527         -DE/DX =    0.0                 !
 ! A104  A(35,34,103)          120.3298         -DE/DX =    0.0                 !
 ! A105  A(23,35,34)           121.3385         -DE/DX =    0.0                 !
 ! A106  A(23,35,104)          119.5125         -DE/DX =    0.0                 !
 ! A107  A(34,35,104)          119.0978         -DE/DX =    0.0                 !
 ! A108  A(25,36,37)           121.3371         -DE/DX =    0.0                 !
 ! A109  A(25,36,105)          119.5694         -DE/DX =    0.0                 !
 ! A110  A(37,36,105)          119.0449         -DE/DX =    0.0                 !
 ! A111  A(36,37,38)           120.2124         -DE/DX =    0.0                 !
 ! A112  A(36,37,106)          120.3234         -DE/DX =    0.0                 !
 ! A113  A(38,37,106)          119.4503         -DE/DX =    0.0                 !
 ! A114  A(37,38,39)           119.1585         -DE/DX =    0.0                 !
 ! A115  A(37,38,43)           120.4136         -DE/DX =    0.0                 !
 ! A116  A(39,38,43)           120.4279         -DE/DX =    0.0                 !
 ! A117  A(38,39,40)           120.2234         -DE/DX =    0.0                 !
 ! A118  A(38,39,107)          119.4583         -DE/DX =    0.0                 !
 ! A119  A(40,39,107)          120.305          -DE/DX =    0.0                 !
 ! A120  A(25,40,39)           121.3296         -DE/DX =    0.0                 !
 ! A121  A(25,40,108)          119.488          -DE/DX =    0.0                 !
 ! A122  A(39,40,108)          119.1409         -DE/DX =    0.0                 !
 ! A123  A(33,41,48)           125.8242         -DE/DX =    0.0                 !
 ! A124  A(33,41,51)           125.8353         -DE/DX =    0.0                 !
 ! A125  A(48,41,51)           108.3403         -DE/DX =    0.0                 !
 ! A126  A(28,42,44)           125.8312         -DE/DX =    0.0                 !
 ! A127  A(28,42,47)           125.8297         -DE/DX =    0.0                 !
 ! A128  A(44,42,47)           108.3391         -DE/DX =    0.0                 !
 ! A129  A(38,43,52)           125.8276         -DE/DX =    0.0                 !
 ! A130  A(38,43,55)           125.8277         -DE/DX =    0.0                 !
 ! A131  A(52,43,55)           108.3447         -DE/DX =    0.0                 !
 ! A132  A(42,44,45)           108.9453         -DE/DX =    0.0                 !
 ! A133  A(42,44,60)           129.4743         -DE/DX =    0.0                 !
 ! A134  A(45,44,60)           121.5515         -DE/DX =    0.0                 !
 ! A135  A(44,45,46)           106.8855         -DE/DX =    0.0                 !
 ! A136  A(44,45,63)           119.5373         -DE/DX =    0.0                 !
 ! A137  A(46,45,63)           133.5735         -DE/DX =    0.0                 !
 ! A138  A(45,46,47)           106.884          -DE/DX =    0.0                 !
 ! A139  A(45,46,56)           133.5731         -DE/DX =    0.0                 !
 ! A140  A(47,46,56)           119.5393         -DE/DX =    0.0                 !
 ! A141  A(42,47,46)           108.9459         -DE/DX =    0.0                 !
 ! A142  A(42,47,59)           129.4802         -DE/DX =    0.0                 !
 ! A143  A(46,47,59)           121.5457         -DE/DX =    0.0                 !
 ! A144  A(41,48,49)           108.9492         -DE/DX =    0.0                 !
 ! A145  A(41,48,68)           129.4731         -DE/DX =    0.0                 !
 ! A146  A(49,48,68)           121.5493         -DE/DX =    0.0                 !
 ! A147  A(48,49,50)           106.8806         -DE/DX =    0.0                 !
 ! A148  A(48,49,71)           119.5381         -DE/DX =    0.0                 !
 ! A149  A(50,49,71)           133.5778         -DE/DX =    0.0                 !
 ! A150  A(49,50,51)           106.8834         -DE/DX =    0.0                 !
 ! A151  A(49,50,64)           133.5753         -DE/DX =    0.0                 !
 ! A152  A(51,50,64)           119.5378         -DE/DX =    0.0                 !
 ! A153  A(41,51,50)           108.9464         -DE/DX =    0.0                 !
 ! A154  A(41,51,67)           129.4768         -DE/DX =    0.0                 !
 ! A155  A(50,51,67)           121.5489         -DE/DX =    0.0                 !
 ! A156  A(43,52,53)           108.9563         -DE/DX =    0.0                 !
 ! A157  A(43,52,76)           129.4548         -DE/DX =    0.0                 !
 ! A158  A(53,52,76)           121.5625         -DE/DX =    0.0                 !
 ! A159  A(52,53,54)           106.8709         -DE/DX =    0.0                 !
 ! A160  A(52,53,79)           119.5303         -DE/DX =    0.0                 !
 ! A161  A(54,53,79)           133.5953         -DE/DX =    0.0                 !
 ! A162  A(53,54,55)           106.868          -DE/DX =    0.0                 !
 ! A163  A(53,54,72)           133.6001         -DE/DX =    0.0                 !
 ! A164  A(55,54,72)           119.5286         -DE/DX =    0.0                 !
 ! A165  A(43,55,54)           108.96           -DE/DX =    0.0                 !
 ! A166  A(43,55,75)           129.4623         -DE/DX =    0.0                 !
 ! A167  A(54,55,75)           121.5517         -DE/DX =    0.0                 !
 ! A168  A(46,56,57)           119.1657         -DE/DX =    0.0                 !
 ! A169  A(46,56,109)          120.3331         -DE/DX =    0.0                 !
 ! A170  A(57,56,109)          120.5006         -DE/DX =    0.0                 !
 ! A171  A(56,57,58)           120.5551         -DE/DX =    0.0                 !
 ! A172  A(56,57,110)          119.8589         -DE/DX =    0.0                 !
 ! A173  A(58,57,110)          119.5854         -DE/DX =    0.0                 !
 ! A174  A(57,58,59)           121.45           -DE/DX =    0.0                 !
 ! A175  A(57,58,111)          119.4658         -DE/DX =    0.0                 !
 ! A176  A(59,58,111)          119.084          -DE/DX =    0.0                 !
 ! A177  A(47,59,58)           117.735          -DE/DX =    0.0                 !
 ! A178  A(47,59,112)          121.3119         -DE/DX =    0.0                 !
 ! A179  A(58,59,112)          120.9519         -DE/DX =    0.0                 !
 ! A180  A(44,60,61)           117.7276         -DE/DX =    0.0                 !
 ! A181  A(44,60,113)          121.3156         -DE/DX =    0.0                 !
 ! A182  A(61,60,113)          120.9553         -DE/DX =    0.0                 !
 ! A183  A(60,61,62)           121.4543         -DE/DX =    0.0                 !
 ! A184  A(60,61,114)          119.076          -DE/DX =    0.0                 !
 ! A185  A(62,61,114)          119.4693         -DE/DX =    0.0                 !
 ! A186  A(61,62,63)           120.5551         -DE/DX =    0.0                 !
 ! A187  A(61,62,115)          119.5905         -DE/DX =    0.0                 !
 ! A188  A(63,62,115)          119.8536         -DE/DX =    0.0                 !
 ! A189  A(45,63,62)           119.1646         -DE/DX =    0.0                 !
 ! A190  A(45,63,116)          120.3332         -DE/DX =    0.0                 !
 ! A191  A(62,63,116)          120.5015         -DE/DX =    0.0                 !
 ! A192  A(50,64,65)           119.1658         -DE/DX =    0.0                 !
 ! A193  A(50,64,117)          120.3316         -DE/DX =    0.0                 !
 ! A194  A(65,64,117)          120.502          -DE/DX =    0.0                 !
 ! A195  A(64,65,66)           120.5541         -DE/DX =    0.0                 !
 ! A196  A(64,65,118)          119.856          -DE/DX =    0.0                 !
 ! A197  A(66,65,118)          119.5893         -DE/DX =    0.0                 !
 ! A198  A(65,66,67)           121.4546         -DE/DX =    0.0                 !
 ! A199  A(65,66,119)          119.4707         -DE/DX =    0.0                 !
 ! A200  A(67,66,119)          119.0744         -DE/DX =    0.0                 !
 ! A201  A(51,67,66)           117.7298         -DE/DX =    0.0                 !
 ! A202  A(51,67,120)          121.3139         -DE/DX =    0.0                 !
 ! A203  A(66,67,120)          120.9551         -DE/DX =    0.0                 !
 ! A204  A(48,68,69)           117.73           -DE/DX =    0.0                 !
 ! A205  A(48,68,121)          121.3118         -DE/DX =    0.0                 !
 ! A206  A(69,68,121)          120.9567         -DE/DX =    0.0                 !
 ! A207  A(68,69,70)           121.4532         -DE/DX =    0.0                 !
 ! A208  A(68,69,122)          119.0782         -DE/DX =    0.0                 !
 ! A209  A(70,69,122)          119.4682         -DE/DX =    0.0                 !
 ! A210  A(69,70,71)           120.5554         -DE/DX =    0.0                 !
 ! A211  A(69,70,123)          119.5863         -DE/DX =    0.0                 !
 ! A212  A(71,70,123)          119.8575         -DE/DX =    0.0                 !
 ! A213  A(49,71,70)           119.1647         -DE/DX =    0.0                 !
 ! A214  A(49,71,124)          120.3323         -DE/DX =    0.0                 !
 ! A215  A(70,71,124)          120.5023         -DE/DX =    0.0                 !
 ! A216  A(54,72,73)           119.1712         -DE/DX =    0.0                 !
 ! A217  A(54,72,125)          120.3314         -DE/DX =    0.0                 !
 ! A218  A(73,72,125)          120.4968         -DE/DX =    0.0                 !
 ! A219  A(72,73,74)           120.5553         -DE/DX =    0.0                 !
 ! A220  A(72,73,126)          119.8541         -DE/DX =    0.0                 !
 ! A221  A(74,73,126)          119.59           -DE/DX =    0.0                 !
 ! A222  A(73,74,75)           121.4523         -DE/DX =    0.0                 !
 ! A223  A(73,74,127)          119.463          -DE/DX =    0.0                 !
 ! A224  A(75,74,127)          119.0844         -DE/DX =    0.0                 !
 ! A225  A(55,75,74)           117.7324         -DE/DX =    0.0                 !
 ! A226  A(55,75,128)          121.2818         -DE/DX =    0.0                 !
 ! A227  A(74,75,128)          120.9847         -DE/DX =    0.0                 !
 ! A228  A(52,76,77)           117.7194         -DE/DX =    0.0                 !
 ! A229  A(52,76,129)          121.3048         -DE/DX =    0.0                 !
 ! A230  A(77,76,129)          120.9748         -DE/DX =    0.0                 !
 ! A231  A(76,77,78)           121.4576         -DE/DX =    0.0                 !
 ! A232  A(76,77,130)          119.0752         -DE/DX =    0.0                 !
 ! A233  A(78,77,130)          119.467          -DE/DX =    0.0                 !
 ! A234  A(77,78,79)           120.5595         -DE/DX =    0.0                 !
 ! A235  A(77,78,131)          119.5853         -DE/DX =    0.0                 !
 ! A236  A(79,78,131)          119.8545         -DE/DX =    0.0                 !
 ! A237  A(53,79,78)           119.1622         -DE/DX =    0.0                 !
 ! A238  A(53,79,132)          120.3354         -DE/DX =    0.0                 !
 ! A239  A(78,79,132)          120.5017         -DE/DX =    0.0                 !
 ! A240  A(15,81,80)           115.5855         -DE/DX =    0.0                 !
 ! A241  A(15,81,82)           105.7419         -DE/DX =    0.0                 !
 ! A242  A(15,81,83)            99.1518         -DE/DX =    0.0                 !
 ! A243  A(80,81,82)           116.1871         -DE/DX =    0.0                 !
 ! A244  A(80,81,83)           116.3609         -DE/DX =    0.0                 !
 ! A245  A(82,81,83)           101.5184         -DE/DX =    0.0                 !
 ! A246  A(81,82,84)           121.0785         -DE/DX =    0.0                 !
 ! A247  A(81,83,86)           118.1787         -DE/DX =    0.0                 !
 ! A248  A(82,84,85)           107.5151         -DE/DX =    0.0                 !
 ! A249  A(82,84,133)          107.8658         -DE/DX =    0.0                 !
 ! A250  A(82,84,134)          108.52           -DE/DX =    0.0                 !
 ! A251  A(85,84,133)          112.0216         -DE/DX =    0.0                 !
 ! A252  A(85,84,134)          112.3029         -DE/DX =    0.0                 !
 ! A253  A(133,84,134)         108.4657         -DE/DX =    0.0                 !
 ! A254  A(84,85,135)          109.4589         -DE/DX =    0.0                 !
 ! A255  A(84,85,136)          111.0266         -DE/DX =    0.0                 !
 ! A256  A(84,85,137)          110.9831         -DE/DX =    0.0                 !
 ! A257  A(135,85,136)         108.3424         -DE/DX =    0.0                 !
 ! A258  A(135,85,137)         108.326          -DE/DX =    0.0                 !
 ! A259  A(136,85,137)         108.6239         -DE/DX =    0.0                 !
 ! A260  A(83,86,87)           107.7906         -DE/DX =    0.0                 !
 ! A261  A(83,86,138)          108.3351         -DE/DX =    0.0                 !
 ! A262  A(83,86,139)          108.5277         -DE/DX =    0.0                 !
 ! A263  A(87,86,138)          111.5765         -DE/DX =    0.0                 !
 ! A264  A(87,86,139)          111.794          -DE/DX =    0.0                 !
 ! A265  A(138,86,139)         108.712          -DE/DX =    0.0                 !
 ! A266  A(86,87,140)          110.9875         -DE/DX =    0.0                 !
 ! A267  A(86,87,141)          109.6373         -DE/DX =    0.0                 !
 ! A268  A(86,87,142)          110.8435         -DE/DX =    0.0                 !
 ! A269  A(140,87,141)         108.4052         -DE/DX =    0.0                 !
 ! A270  A(140,87,142)         108.4751         -DE/DX =    0.0                 !
 ! A271  A(141,87,142)         108.4176         -DE/DX =    0.0                 !
 ! A272  A(84,133,143)         112.9384         -DE/DX =    0.0                 !
 ! A273  A(84,134,143)          90.5483         -DE/DX =    0.0                 !
 ! A274  A(9,143,133)           99.6207         -DE/DX =    0.0                 !
 ! A275  A(9,143,134)          103.5419         -DE/DX =    0.0                 !
 ! A276  A(15,143,133)          71.1371         -DE/DX =    0.0                 !
 ! A277  A(15,143,134)          76.4645         -DE/DX =    0.0                 !
 ! A278  A(133,143,134)         31.3172         -DE/DX =    0.0                 !
 ! D1    D(6,1,2,3)              0.6151         -DE/DX =    0.0                 !
 ! D2    D(6,1,2,88)           178.2472         -DE/DX =    0.0                 !
 ! D3    D(23,1,2,3)          -179.3798         -DE/DX =    0.0                 !
 ! D4    D(23,1,2,88)           -1.7477         -DE/DX =    0.0                 !
 ! D5    D(2,1,6,5)             -1.7646         -DE/DX =    0.0                 !
 ! D6    D(2,1,6,90)           177.8729         -DE/DX =    0.0                 !
 ! D7    D(23,1,6,5)           178.2303         -DE/DX =    0.0                 !
 ! D8    D(23,1,6,90)           -2.1322         -DE/DX =    0.0                 !
 ! D9    D(2,1,23,31)          142.9089         -DE/DX =    0.0                 !
 ! D10   D(2,1,23,35)          -37.1367         -DE/DX =    0.0                 !
 ! D11   D(6,1,23,31)          -37.0859         -DE/DX =    0.0                 !
 ! D12   D(6,1,23,35)          142.8685         -DE/DX =    0.0                 !
 ! D13   D(1,2,3,4)              1.9374         -DE/DX =    0.0                 !
 ! D14   D(1,2,3,7)           -173.1239         -DE/DX =    0.0                 !
 ! D15   D(88,2,3,4)          -175.6764         -DE/DX =    0.0                 !
 ! D16   D(88,2,3,7)             9.2622         -DE/DX =    0.0                 !
 ! D17   D(2,3,4,5)             -3.3735         -DE/DX =    0.0                 !
 ! D18   D(2,3,4,10)           174.7197         -DE/DX =    0.0                 !
 ! D19   D(7,3,4,5)            171.9272         -DE/DX =    0.0                 !
 ! D20   D(7,3,4,10)            -9.9795         -DE/DX =    0.0                 !
 ! D21   D(2,3,7,8)           -167.0051         -DE/DX =    0.0                 !
 ! D22   D(2,3,7,11)            20.424          -DE/DX =    0.0                 !
 ! D23   D(4,3,7,8)             17.9092         -DE/DX =    0.0                 !
 ! D24   D(4,3,7,11)          -154.6617         -DE/DX =    0.0                 !
 ! D25   D(3,4,5,6)              2.2924         -DE/DX =    0.0                 !
 ! D26   D(3,4,5,89)          -178.4876         -DE/DX =    0.0                 !
 ! D27   D(10,4,5,6)          -175.8004         -DE/DX =    0.0                 !
 ! D28   D(10,4,5,89)            3.4196         -DE/DX =    0.0                 !
 ! D29   D(3,4,10,9)           -22.2412         -DE/DX =    0.0                 !
 ! D30   D(3,4,10,18)          161.9134         -DE/DX =    0.0                 !
 ! D31   D(5,4,10,9)           155.8458         -DE/DX =    0.0                 !
 ! D32   D(5,4,10,18)          -19.9996         -DE/DX =    0.0                 !
 ! D33   D(4,5,6,1)              0.3224         -DE/DX =    0.0                 !
 ! D34   D(4,5,6,90)          -179.3152         -DE/DX =    0.0                 !
 ! D35   D(89,5,6,1)          -178.8774         -DE/DX =    0.0                 !
 ! D36   D(89,5,6,90)            1.485          -DE/DX =    0.0                 !
 ! D37   D(3,7,8,9)              7.469          -DE/DX =    0.0                 !
 ! D38   D(3,7,8,14)          -167.0895         -DE/DX =    0.0                 !
 ! D39   D(11,7,8,9)          -179.8295         -DE/DX =    0.0                 !
 ! D40   D(11,7,8,14)            5.612          -DE/DX =    0.0                 !
 ! D41   D(3,7,11,12)          171.0918         -DE/DX =    0.0                 !
 ! D42   D(3,7,11,91)           -4.1814         -DE/DX =    0.0                 !
 ! D43   D(8,7,11,12)           -1.5586         -DE/DX =    0.0                 !
 ! D44   D(8,7,11,91)         -176.8318         -DE/DX =    0.0                 !
 ! D45   D(7,8,9,10)           -37.7461         -DE/DX =    0.0                 !
 ! D46   D(7,8,9,15)          -172.589          -DE/DX =    0.0                 !
 ! D47   D(7,8,9,143)           67.5471         -DE/DX =    0.0                 !
 ! D48   D(14,8,9,10)          136.576          -DE/DX =    0.0                 !
 ! D49   D(14,8,9,15)            1.733          -DE/DX =    0.0                 !
 ! D50   D(14,8,9,143)        -118.1308         -DE/DX =    0.0                 !
 ! D51   D(7,8,14,13)           -5.4151         -DE/DX =    0.0                 !
 ! D52   D(7,8,14,93)          173.0073         -DE/DX =    0.0                 !
 ! D53   D(9,8,14,13)         -179.7441         -DE/DX =    0.0                 !
 ! D54   D(9,8,14,93)           -1.3217         -DE/DX =    0.0                 !
 ! D55   D(8,9,10,4)            44.7425         -DE/DX =    0.0                 !
 ! D56   D(8,9,10,18)         -139.6502         -DE/DX =    0.0                 !
 ! D57   D(15,9,10,4)         -179.3351         -DE/DX =    0.0                 !
 ! D58   D(15,9,10,18)          -3.7278         -DE/DX =    0.0                 !
 ! D59   D(143,9,10,4)         -66.879          -DE/DX =    0.0                 !
 ! D60   D(143,9,10,18)        108.7283         -DE/DX =    0.0                 !
 ! D61   D(8,9,15,16)          136.1518         -DE/DX =    0.0                 !
 ! D62   D(8,9,15,81)          -63.9131         -DE/DX =    0.0                 !
 ! D63   D(10,9,15,16)           3.2462         -DE/DX =    0.0                 !
 ! D64   D(10,9,15,81)         163.1813         -DE/DX =    0.0                 !
 ! D65   D(8,9,143,133)        136.9553         -DE/DX =    0.0                 !
 ! D66   D(8,9,143,134)        105.215          -DE/DX =    0.0                 !
 ! D67   D(10,9,143,133)      -108.5949         -DE/DX =    0.0                 !
 ! D68   D(10,9,143,134)      -140.3352         -DE/DX =    0.0                 !
 ! D69   D(4,10,18,17)         177.7861         -DE/DX =    0.0                 !
 ! D70   D(9,10,18,17)           2.3272         -DE/DX =    0.0                 !
 ! D71   D(7,11,12,13)          -2.8168         -DE/DX =    0.0                 !
 ! D72   D(7,11,12,24)         179.4481         -DE/DX =    0.0                 !
 ! D73   D(91,11,12,13)        172.4841         -DE/DX =    0.0                 !
 ! D74   D(91,11,12,24)         -5.251          -DE/DX =    0.0                 !
 ! D75   D(11,12,13,14)          3.1131         -DE/DX =    0.0                 !
 ! D76   D(11,12,13,92)       -178.1389         -DE/DX =    0.0                 !
 ! D77   D(24,12,13,14)       -179.166          -DE/DX =    0.0                 !
 ! D78   D(24,12,13,92)         -0.418          -DE/DX =    0.0                 !
 ! D79   D(11,12,24,26)        142.05           -DE/DX =    0.0                 !
 ! D80   D(11,12,24,30)        -38.0344         -DE/DX =    0.0                 !
 ! D81   D(13,12,24,26)        -35.5979         -DE/DX =    0.0                 !
 ! D82   D(13,12,24,30)        144.3177         -DE/DX =    0.0                 !
 ! D83   D(12,13,14,8)           1.0023         -DE/DX =    0.0                 !
 ! D84   D(12,13,14,93)       -177.4538         -DE/DX =    0.0                 !
 ! D85   D(92,13,14,8)        -177.756          -DE/DX =    0.0                 !
 ! D86   D(92,13,14,93)          3.7879         -DE/DX =    0.0                 !
 ! D87   D(9,15,16,17)          -1.7701         -DE/DX =    0.0                 !
 ! D88   D(9,15,16,19)        -179.24           -DE/DX =    0.0                 !
 ! D89   D(81,15,16,17)       -161.426          -DE/DX =    0.0                 !
 ! D90   D(81,15,16,19)         21.1041         -DE/DX =    0.0                 !
 ! D91   D(143,15,16,17)       -53.1729         -DE/DX =    0.0                 !
 ! D92   D(143,15,16,19)       129.3572         -DE/DX =    0.0                 !
 ! D93   D(9,15,81,80)           7.8723         -DE/DX =    0.0                 !
 ! D94   D(9,15,81,82)        -122.167          -DE/DX =    0.0                 !
 ! D95   D(9,15,81,83)         133.0268         -DE/DX =    0.0                 !
 ! D96   D(16,15,81,80)        167.79           -DE/DX =    0.0                 !
 ! D97   D(16,15,81,82)         37.7506         -DE/DX =    0.0                 !
 ! D98   D(16,15,81,83)        -67.0555         -DE/DX =    0.0                 !
 ! D99   D(143,15,81,80)        43.3843         -DE/DX =    0.0                 !
 ! D100  D(143,15,81,82)       -86.6551         -DE/DX =    0.0                 !
 ! D101  D(143,15,81,83)       168.5388         -DE/DX =    0.0                 !
 ! D102  D(16,15,143,133)      -66.0885         -DE/DX =    0.0                 !
 ! D103  D(16,15,143,134)      -98.2736         -DE/DX =    0.0                 !
 ! D104  D(81,15,143,133)       58.12           -DE/DX =    0.0                 !
 ! D105  D(81,15,143,134)       25.9348         -DE/DX =    0.0                 !
 ! D106  D(15,16,17,18)          0.2186         -DE/DX =    0.0                 !
 ! D107  D(15,16,17,22)       -178.5928         -DE/DX =    0.0                 !
 ! D108  D(19,16,17,18)        177.831          -DE/DX =    0.0                 !
 ! D109  D(19,16,17,22)         -0.9804         -DE/DX =    0.0                 !
 ! D110  D(15,16,19,20)        178.7131         -DE/DX =    0.0                 !
 ! D111  D(15,16,19,94)         -1.1471         -DE/DX =    0.0                 !
 ! D112  D(17,16,19,20)          1.207          -DE/DX =    0.0                 !
 ! D113  D(17,16,19,94)       -178.6531         -DE/DX =    0.0                 !
 ! D114  D(16,17,18,10)         -0.4933         -DE/DX =    0.0                 !
 ! D115  D(22,17,18,10)        178.3591         -DE/DX =    0.0                 !
 ! D116  D(16,17,22,21)          0.0616         -DE/DX =    0.0                 !
 ! D117  D(16,17,22,96)        178.4309         -DE/DX =    0.0                 !
 ! D118  D(18,17,22,21)       -178.8163         -DE/DX =    0.0                 !
 ! D119  D(18,17,22,96)         -0.447          -DE/DX =    0.0                 !
 ! D120  D(16,19,20,21)         -0.528          -DE/DX =    0.0                 !
 ! D121  D(16,19,20,95)        178.2691         -DE/DX =    0.0                 !
 ! D122  D(94,19,20,21)        179.3352         -DE/DX =    0.0                 !
 ! D123  D(94,19,20,95)         -1.8677         -DE/DX =    0.0                 !
 ! D124  D(19,20,21,22)         -0.4061         -DE/DX =    0.0                 !
 ! D125  D(19,20,21,25)        179.91           -DE/DX =    0.0                 !
 ! D126  D(95,20,21,22)       -179.1873         -DE/DX =    0.0                 !
 ! D127  D(95,20,21,25)          1.1288         -DE/DX =    0.0                 !
 ! D128  D(20,21,22,17)          0.6332         -DE/DX =    0.0                 !
 ! D129  D(20,21,22,96)       -177.6542         -DE/DX =    0.0                 !
 ! D130  D(25,21,22,17)       -179.6829         -DE/DX =    0.0                 !
 ! D131  D(25,21,22,96)          2.0297         -DE/DX =    0.0                 !
 ! D132  D(20,21,25,36)         35.2893         -DE/DX =    0.0                 !
 ! D133  D(20,21,25,40)       -144.744          -DE/DX =    0.0                 !
 ! D134  D(22,21,25,36)       -144.3795         -DE/DX =    0.0                 !
 ! D135  D(22,21,25,40)         35.5872         -DE/DX =    0.0                 !
 ! D136  D(1,23,31,32)        -179.495          -DE/DX =    0.0                 !
 ! D137  D(1,23,31,101)         -2.1323         -DE/DX =    0.0                 !
 ! D138  D(35,23,31,32)          0.5491         -DE/DX =    0.0                 !
 ! D139  D(35,23,31,101)       177.9118         -DE/DX =    0.0                 !
 ! D140  D(1,23,35,34)        -179.5964         -DE/DX =    0.0                 !
 ! D141  D(1,23,35,104)         -2.2248         -DE/DX =    0.0                 !
 ! D142  D(31,23,35,34)          0.3594         -DE/DX =    0.0                 !
 ! D143  D(31,23,35,104)       177.731          -DE/DX =    0.0                 !
 ! D144  D(12,24,26,27)       -179.5733         -DE/DX =    0.0                 !
 ! D145  D(12,24,26,97)         -2.172          -DE/DX =    0.0                 !
 ! D146  D(30,24,26,27)          0.5085         -DE/DX =    0.0                 !
 ! D147  D(30,24,26,97)        177.9098         -DE/DX =    0.0                 !
 ! D148  D(12,24,30,29)       -179.5043         -DE/DX =    0.0                 !
 ! D149  D(12,24,30,100)        -2.1954         -DE/DX =    0.0                 !
 ! D150  D(26,24,30,29)          0.4141         -DE/DX =    0.0                 !
 ! D151  D(26,24,30,100)       177.7231         -DE/DX =    0.0                 !
 ! D152  D(21,25,36,37)        179.5556         -DE/DX =    0.0                 !
 ! D153  D(21,25,36,105)         2.1146         -DE/DX =    0.0                 !
 ! D154  D(40,25,36,37)         -0.4122         -DE/DX =    0.0                 !
 ! D155  D(40,25,36,105)      -177.8532         -DE/DX =    0.0                 !
 ! D156  D(21,25,40,39)        179.6685         -DE/DX =    0.0                 !
 ! D157  D(21,25,40,108)         2.0303         -DE/DX =    0.0                 !
 ! D158  D(36,25,40,39)         -0.3637         -DE/DX =    0.0                 !
 ! D159  D(36,25,40,108)      -178.0019         -DE/DX =    0.0                 !
 ! D160  D(24,26,27,28)         -0.9386         -DE/DX =    0.0                 !
 ! D161  D(24,26,27,98)        177.7187         -DE/DX =    0.0                 !
 ! D162  D(97,26,27,28)       -178.3517         -DE/DX =    0.0                 !
 ! D163  D(97,26,27,98)          0.3056         -DE/DX =    0.0                 !
 ! D164  D(26,27,28,29)          0.4385         -DE/DX =    0.0                 !
 ! D165  D(26,27,28,42)       -179.5577         -DE/DX =    0.0                 !
 ! D166  D(98,27,28,29)       -178.2305         -DE/DX =    0.0                 !
 ! D167  D(98,27,28,42)          1.7732         -DE/DX =    0.0                 !
 ! D168  D(27,28,29,30)          0.47           -DE/DX =    0.0                 !
 ! D169  D(27,28,29,99)       -178.1458         -DE/DX =    0.0                 !
 ! D170  D(42,28,29,30)       -179.5337         -DE/DX =    0.0                 !
 ! D171  D(42,28,29,99)          1.8504         -DE/DX =    0.0                 !
 ! D172  D(27,28,42,44)         53.8567         -DE/DX =    0.0                 !
 ! D173  D(27,28,42,47)       -126.0595         -DE/DX =    0.0                 !
 ! D174  D(29,28,42,44)       -126.1396         -DE/DX =    0.0                 !
 ! D175  D(29,28,42,47)         53.9443         -DE/DX =    0.0                 !
 ! D176  D(28,29,30,24)         -0.9058         -DE/DX =    0.0                 !
 ! D177  D(28,29,30,100)      -178.2213         -DE/DX =    0.0                 !
 ! D178  D(99,29,30,24)        177.6981         -DE/DX =    0.0                 !
 ! D179  D(99,29,30,100)         0.3826         -DE/DX =    0.0                 !
 ! D180  D(23,31,32,33)         -0.9484         -DE/DX =    0.0                 !
 ! D181  D(23,31,32,102)       177.6991         -DE/DX =    0.0                 !
 ! D182  D(101,31,32,33)      -178.3202         -DE/DX =    0.0                 !
 ! D183  D(101,31,32,102)        0.3273         -DE/DX =    0.0                 !
 ! D184  D(31,32,33,34)          0.4298         -DE/DX =    0.0                 !
 ! D185  D(31,32,33,41)       -179.523          -DE/DX =    0.0                 !
 ! D186  D(102,32,33,34)      -178.2291         -DE/DX =    0.0                 !
 ! D187  D(102,32,33,41)         1.8181         -DE/DX =    0.0                 !
 ! D188  D(32,33,34,35)          0.4646         -DE/DX =    0.0                 !
 ! D189  D(32,33,34,103)      -178.1599         -DE/DX =    0.0                 !
 ! D190  D(41,33,34,35)       -179.5826         -DE/DX =    0.0                 !
 ! D191  D(41,33,34,103)         1.7929         -DE/DX =    0.0                 !
 ! D192  D(32,33,41,48)       -126.1176         -DE/DX =    0.0                 !
 ! D193  D(32,33,41,51)         54.0555         -DE/DX =    0.0                 !
 ! D194  D(34,33,41,48)         53.9302         -DE/DX =    0.0                 !
 ! D195  D(34,33,41,51)       -125.8968         -DE/DX =    0.0                 !
 ! D196  D(33,34,35,23)         -0.8679         -DE/DX =    0.0                 !
 ! D197  D(33,34,35,104)      -178.2502         -DE/DX =    0.0                 !
 ! D198  D(103,34,35,23)       177.7444         -DE/DX =    0.0                 !
 ! D199  D(103,34,35,104)        0.3622         -DE/DX =    0.0                 !
 ! D200  D(25,36,37,38)          0.7988         -DE/DX =    0.0                 !
 ! D201  D(25,36,37,106)      -177.8359         -DE/DX =    0.0                 !
 ! D202  D(105,36,37,38)       178.2529         -DE/DX =    0.0                 !
 ! D203  D(105,36,37,106)       -0.3818         -DE/DX =    0.0                 !
 ! D204  D(36,37,38,39)         -0.4027         -DE/DX =    0.0                 !
 ! D205  D(36,37,38,43)        179.5987         -DE/DX =    0.0                 !
 ! D206  D(106,37,38,39)       178.2439         -DE/DX =    0.0                 !
 ! D207  D(106,37,38,43)        -1.7547         -DE/DX =    0.0                 !
 ! D208  D(37,38,39,40)         -0.3611         -DE/DX =    0.0                 !
 ! D209  D(37,38,39,107)       178.3153         -DE/DX =    0.0                 !
 ! D210  D(43,38,39,40)        179.6375         -DE/DX =    0.0                 !
 ! D211  D(43,38,39,107)        -1.6861         -DE/DX =    0.0                 !
 ! D212  D(37,38,43,52)        125.5122         -DE/DX =    0.0                 !
 ! D213  D(37,38,43,55)        -54.5282         -DE/DX =    0.0                 !
 ! D214  D(39,38,43,52)        -54.4863         -DE/DX =    0.0                 !
 ! D215  D(39,38,43,55)        125.4732         -DE/DX =    0.0                 !
 ! D216  D(38,39,40,25)          0.7526         -DE/DX =    0.0                 !
 ! D217  D(38,39,40,108)       178.3989         -DE/DX =    0.0                 !
 ! D218  D(107,39,40,25)      -177.9125         -DE/DX =    0.0                 !
 ! D219  D(107,39,40,108)       -0.2663         -DE/DX =    0.0                 !
 ! D220  D(33,41,48,49)       -179.8938         -DE/DX =    0.0                 !
 ! D221  D(33,41,48,68)          2.0539         -DE/DX =    0.0                 !
 ! D222  D(51,41,48,49)         -0.0417         -DE/DX =    0.0                 !
 ! D223  D(51,41,48,68)       -178.094          -DE/DX =    0.0                 !
 ! D224  D(33,41,51,50)        179.8108         -DE/DX =    0.0                 !
 ! D225  D(33,41,51,67)          1.744          -DE/DX =    0.0                 !
 ! D226  D(48,41,51,50)         -0.0414         -DE/DX =    0.0                 !
 ! D227  D(48,41,51,67)       -178.1081         -DE/DX =    0.0                 !
 ! D228  D(28,42,44,45)       -179.9592         -DE/DX =    0.0                 !
 ! D229  D(28,42,44,60)          2.006          -DE/DX =    0.0                 !
 ! D230  D(47,42,44,45)         -0.0308         -DE/DX =    0.0                 !
 ! D231  D(47,42,44,60)       -178.0656         -DE/DX =    0.0                 !
 ! D232  D(28,42,47,46)        179.8746         -DE/DX =    0.0                 !
 ! D233  D(28,42,47,59)          1.8161         -DE/DX =    0.0                 !
 ! D234  D(44,42,47,46)         -0.0538         -DE/DX =    0.0                 !
 ! D235  D(44,42,47,59)       -178.1123         -DE/DX =    0.0                 !
 ! D236  D(38,43,52,53)       -179.9952         -DE/DX =    0.0                 !
 ! D237  D(38,43,52,76)         -1.8727         -DE/DX =    0.0                 !
 ! D238  D(55,43,52,53)          0.0394         -DE/DX =    0.0                 !
 ! D239  D(55,43,52,76)        178.1619         -DE/DX =    0.0                 !
 ! D240  D(38,43,55,54)       -179.924          -DE/DX =    0.0                 !
 ! D241  D(38,43,55,75)         -1.7859         -DE/DX =    0.0                 !
 ! D242  D(52,43,55,54)          0.0414         -DE/DX =    0.0                 !
 ! D243  D(52,43,55,75)        178.1796         -DE/DX =    0.0                 !
 ! D244  D(42,44,45,46)          0.1008         -DE/DX =    0.0                 !
 ! D245  D(42,44,45,63)       -179.2905         -DE/DX =    0.0                 !
 ! D246  D(60,44,45,46)        178.3207         -DE/DX =    0.0                 !
 ! D247  D(60,44,45,63)         -1.0705         -DE/DX =    0.0                 !
 ! D248  D(42,44,60,61)        178.8389         -DE/DX =    0.0                 !
 ! D249  D(42,44,60,113)        -0.7215         -DE/DX =    0.0                 !
 ! D250  D(45,44,60,61)          1.0201         -DE/DX =    0.0                 !
 ! D251  D(45,44,60,113)      -178.5402         -DE/DX =    0.0                 !
 ! D252  D(44,45,46,47)         -0.1312         -DE/DX =    0.0                 !
 ! D253  D(44,45,46,56)        179.1594         -DE/DX =    0.0                 !
 ! D254  D(63,45,46,47)        179.1377         -DE/DX =    0.0                 !
 ! D255  D(63,45,46,56)         -1.5716         -DE/DX =    0.0                 !
 ! D256  D(44,45,63,62)          0.3385         -DE/DX =    0.0                 !
 ! D257  D(44,45,63,116)      -179.9619         -DE/DX =    0.0                 !
 ! D258  D(46,45,63,62)       -178.8575         -DE/DX =    0.0                 !
 ! D259  D(46,45,63,116)         0.8421         -DE/DX =    0.0                 !
 ! D260  D(45,46,47,42)          0.1148         -DE/DX =    0.0                 !
 ! D261  D(45,46,47,59)        178.3565         -DE/DX =    0.0                 !
 ! D262  D(56,46,47,42)       -179.2945         -DE/DX =    0.0                 !
 ! D263  D(56,46,47,59)         -1.0528         -DE/DX =    0.0                 !
 ! D264  D(45,46,56,57)       -178.8884         -DE/DX =    0.0                 !
 ! D265  D(45,46,56,109)         0.8259         -DE/DX =    0.0                 !
 ! D266  D(47,46,56,57)          0.3315         -DE/DX =    0.0                 !
 ! D267  D(47,46,56,109)      -179.9543         -DE/DX =    0.0                 !
 ! D268  D(42,47,59,58)        178.8528         -DE/DX =    0.0                 !
 ! D269  D(42,47,59,112)        -0.755          -DE/DX =    0.0                 !
 ! D270  D(46,47,59,58)          1.0076         -DE/DX =    0.0                 !
 ! D271  D(46,47,59,112)      -178.6001         -DE/DX =    0.0                 !
 ! D272  D(41,48,49,50)          0.1058         -DE/DX =    0.0                 !
 ! D273  D(41,48,49,71)       -179.2963         -DE/DX =    0.0                 !
 ! D274  D(68,48,49,50)        178.3417         -DE/DX =    0.0                 !
 ! D275  D(68,48,49,71)         -1.0605         -DE/DX =    0.0                 !
 ! D276  D(41,48,68,69)        178.8501         -DE/DX =    0.0                 !
 ! D277  D(41,48,68,121)        -0.7119         -DE/DX =    0.0                 !
 ! D278  D(49,48,68,69)          1.0119         -DE/DX =    0.0                 !
 ! D279  D(49,48,68,121)      -178.5501         -DE/DX =    0.0                 !
 ! D280  D(48,49,50,51)         -0.1287         -DE/DX =    0.0                 !
 ! D281  D(48,49,50,64)        179.1549         -DE/DX =    0.0                 !
 ! D282  D(71,49,50,51)        179.1533         -DE/DX =    0.0                 !
 ! D283  D(71,49,50,64)         -1.5631         -DE/DX =    0.0                 !
 ! D284  D(48,49,71,70)          0.3337         -DE/DX =    0.0                 !
 ! D285  D(48,49,71,124)      -179.9616         -DE/DX =    0.0                 !
 ! D286  D(50,49,71,70)       -178.8766         -DE/DX =    0.0                 !
 ! D287  D(50,49,71,124)         0.8281         -DE/DX =    0.0                 !
 ! D288  D(49,50,51,41)          0.1057         -DE/DX =    0.0                 !
 ! D289  D(49,50,51,67)        178.3547         -DE/DX =    0.0                 !
 ! D290  D(64,50,51,41)       -179.2978         -DE/DX =    0.0                 !
 ! D291  D(64,50,51,67)         -1.0488         -DE/DX =    0.0                 !
 ! D292  D(49,50,64,65)       -178.8771         -DE/DX =    0.0                 !
 ! D293  D(49,50,64,117)         0.8333         -DE/DX =    0.0                 !
 ! D294  D(51,50,64,65)          0.335          -DE/DX =    0.0                 !
 ! D295  D(51,50,64,117)      -179.9546         -DE/DX =    0.0                 !
 ! D296  D(41,51,67,66)        178.8532         -DE/DX =    0.0                 !
 ! D297  D(41,51,67,120)        -0.7609         -DE/DX =    0.0                 !
 ! D298  D(50,51,67,66)          0.9989         -DE/DX =    0.0                 !
 ! D299  D(50,51,67,120)      -178.6151         -DE/DX =    0.0                 !
 ! D300  D(43,52,53,54)         -0.1023         -DE/DX =    0.0                 !
 ! D301  D(43,52,53,79)        179.3111         -DE/DX =    0.0                 !
 ! D302  D(76,52,53,54)       -178.401          -DE/DX =    0.0                 !
 ! D303  D(76,52,53,79)          1.0124         -DE/DX =    0.0                 !
 ! D304  D(43,52,76,77)       -178.8799         -DE/DX =    0.0                 !
 ! D305  D(43,52,76,129)         0.7404         -DE/DX =    0.0                 !
 ! D306  D(53,52,76,77)         -0.964          -DE/DX =    0.0                 !
 ! D307  D(53,52,76,129)       178.6564         -DE/DX =    0.0                 !
 ! D308  D(52,53,54,55)          0.1253         -DE/DX =    0.0                 !
 ! D309  D(52,53,54,72)       -179.1861         -DE/DX =    0.0                 !
 ! D310  D(79,53,54,55)       -179.17           -DE/DX =    0.0                 !
 ! D311  D(79,53,54,72)          1.5186         -DE/DX =    0.0                 !
 ! D312  D(52,53,79,78)         -0.323          -DE/DX =    0.0                 !
 ! D313  D(52,53,79,132)       179.9598         -DE/DX =    0.0                 !
 ! D314  D(54,53,79,78)        178.9019         -DE/DX =    0.0                 !
 ! D315  D(54,53,79,132)        -0.8153         -DE/DX =    0.0                 !
 ! D316  D(53,54,55,43)         -0.1036         -DE/DX =    0.0                 !
 ! D317  D(53,54,55,75)       -178.4168         -DE/DX =    0.0                 !
 ! D318  D(72,54,55,43)        179.3234         -DE/DX =    0.0                 !
 ! D319  D(72,54,55,75)          1.0101         -DE/DX =    0.0                 !
 ! D320  D(53,54,72,73)        178.9205         -DE/DX =    0.0                 !
 ! D321  D(53,54,72,125)        -0.7961         -DE/DX =    0.0                 !
 ! D322  D(55,54,72,73)         -0.3221         -DE/DX =    0.0                 !
 ! D323  D(55,54,72,125)       179.9613         -DE/DX =    0.0                 !
 ! D324  D(43,55,75,74)       -178.8955         -DE/DX =    0.0                 !
 ! D325  D(43,55,75,128)         0.7262         -DE/DX =    0.0                 !
 ! D326  D(54,55,75,74)         -0.9619         -DE/DX =    0.0                 !
 ! D327  D(54,55,75,128)       178.6598         -DE/DX =    0.0                 !
 ! D328  D(46,56,57,58)          0.3863         -DE/DX =    0.0                 !
 ! D329  D(46,56,57,110)      -179.908          -DE/DX =    0.0                 !
 ! D330  D(109,56,57,58)      -179.3274         -DE/DX =    0.0                 !
 ! D331  D(109,56,57,110)        0.3783         -DE/DX =    0.0                 !
 ! D332  D(56,57,58,59)         -0.4234         -DE/DX =    0.0                 !
 ! D333  D(56,57,58,111)       179.3945         -DE/DX =    0.0                 !
 ! D334  D(110,57,58,59)       179.8702         -DE/DX =    0.0                 !
 ! D335  D(110,57,58,111)       -0.312          -DE/DX =    0.0                 !
 ! D336  D(57,58,59,47)         -0.2731         -DE/DX =    0.0                 !
 ! D337  D(57,58,59,112)       179.3361         -DE/DX =    0.0                 !
 ! D338  D(111,58,59,47)       179.9084         -DE/DX =    0.0                 !
 ! D339  D(111,58,59,112)       -0.4824         -DE/DX =    0.0                 !
 ! D340  D(44,60,61,62)         -0.2702         -DE/DX =    0.0                 !
 ! D341  D(44,60,61,114)       179.9375         -DE/DX =    0.0                 !
 ! D342  D(113,60,61,62)       179.2918         -DE/DX =    0.0                 !
 ! D343  D(113,60,61,114)       -0.5005         -DE/DX =    0.0                 !
 ! D344  D(60,61,62,63)         -0.4366         -DE/DX =    0.0                 !
 ! D345  D(60,61,62,115)       179.8831         -DE/DX =    0.0                 !
 ! D346  D(114,61,62,63)       179.3549         -DE/DX =    0.0                 !
 ! D347  D(114,61,62,115)       -0.3253         -DE/DX =    0.0                 !
 ! D348  D(61,62,63,45)          0.3943         -DE/DX =    0.0                 !
 ! D349  D(61,62,63,116)      -179.3048         -DE/DX =    0.0                 !
 ! D350  D(115,62,63,45)      -179.9263         -DE/DX =    0.0                 !
 ! D351  D(115,62,63,116)        0.3746         -DE/DX =    0.0                 !
 ! D352  D(50,64,65,66)          0.3801         -DE/DX =    0.0                 !
 ! D353  D(50,64,65,118)      -179.913          -DE/DX =    0.0                 !
 ! D354  D(117,64,65,66)      -179.3298         -DE/DX =    0.0                 !
 ! D355  D(117,64,65,118)        0.3771         -DE/DX =    0.0                 !
 ! D356  D(64,65,66,67)         -0.422          -DE/DX =    0.0                 !
 ! D357  D(64,65,66,119)       179.3969         -DE/DX =    0.0                 !
 ! D358  D(118,65,66,67)       179.8703         -DE/DX =    0.0                 !
 ! D359  D(118,65,66,119)       -0.3108         -DE/DX =    0.0                 !
 ! D360  D(65,66,67,51)         -0.267          -DE/DX =    0.0                 !
 ! D361  D(65,66,67,120)       179.3485         -DE/DX =    0.0                 !
 ! D362  D(119,66,67,51)       179.9134         -DE/DX =    0.0                 !
 ! D363  D(119,66,67,120)       -0.4711         -DE/DX =    0.0                 !
 ! D364  D(48,68,69,70)         -0.2686         -DE/DX =    0.0                 !
 ! D365  D(48,68,69,122)       179.9389         -DE/DX =    0.0                 !
 ! D366  D(121,68,69,70)       179.295          -DE/DX =    0.0                 !
 ! D367  D(121,68,69,122)       -0.4974         -DE/DX =    0.0                 !
 ! D368  D(68,69,70,71)         -0.4332         -DE/DX =    0.0                 !
 ! D369  D(68,69,70,123)       179.8825         -DE/DX =    0.0                 !
 ! D370  D(122,69,70,71)       179.3584         -DE/DX =    0.0                 !
 ! D371  D(122,69,70,123)       -0.3259         -DE/DX =    0.0                 !
 ! D372  D(69,70,71,49)          0.3925         -DE/DX =    0.0                 !
 ! D373  D(69,70,71,124)      -179.3116         -DE/DX =    0.0                 !
 ! D374  D(123,70,71,49)      -179.924          -DE/DX =    0.0                 !
 ! D375  D(123,70,71,124)        0.3719         -DE/DX =    0.0                 !
 ! D376  D(54,72,73,74)         -0.3673         -DE/DX =    0.0                 !
 ! D377  D(54,72,73,126)       179.9208         -DE/DX =    0.0                 !
 ! D378  D(125,72,73,74)       179.3488         -DE/DX =    0.0                 !
 ! D379  D(125,72,73,126)       -0.3632         -DE/DX =    0.0                 !
 ! D380  D(72,73,74,75)          0.408          -DE/DX =    0.0                 !
 ! D381  D(72,73,74,127)      -179.4066         -DE/DX =    0.0                 !
 ! D382  D(126,73,74,75)      -179.8793         -DE/DX =    0.0                 !
 ! D383  D(126,73,74,127)        0.3061         -DE/DX =    0.0                 !
 ! D384  D(73,74,75,55)          0.2562         -DE/DX =    0.0                 !
 ! D385  D(73,74,75,128)      -179.3666         -DE/DX =    0.0                 !
 ! D386  D(127,74,75,55)      -179.9286         -DE/DX =    0.0                 !
 ! D387  D(127,74,75,128)        0.4486         -DE/DX =    0.0                 !
 ! D388  D(52,76,77,78)          0.2568         -DE/DX =    0.0                 !
 ! D389  D(52,76,77,130)      -179.9237         -DE/DX =    0.0                 !
 ! D390  D(129,76,77,78)      -179.3648         -DE/DX =    0.0                 !
 ! D391  D(129,76,77,130)        0.4547         -DE/DX =    0.0                 !
 ! D392  D(76,77,78,79)          0.4086         -DE/DX =    0.0                 !
 ! D393  D(76,77,78,131)      -179.8756         -DE/DX =    0.0                 !
 ! D394  D(130,77,78,79)      -179.4102         -DE/DX =    0.0                 !
 ! D395  D(130,77,78,131)        0.3056         -DE/DX =    0.0                 !
 ! D396  D(77,78,79,53)         -0.3677         -DE/DX =    0.0                 !
 ! D397  D(77,78,79,132)       179.349          -DE/DX =    0.0                 !
 ! D398  D(131,78,79,53)       179.9172         -DE/DX =    0.0                 !
 ! D399  D(131,78,79,132)       -0.3661         -DE/DX =    0.0                 !
 ! D400  D(15,81,82,84)         93.6865         -DE/DX =    0.0                 !
 ! D401  D(80,81,82,84)        -36.0033         -DE/DX =    0.0                 !
 ! D402  D(83,81,82,84)       -163.2466         -DE/DX =    0.0                 !
 ! D403  D(15,81,83,86)       -177.35           -DE/DX =    0.0                 !
 ! D404  D(80,81,83,86)        -52.7374         -DE/DX =    0.0                 !
 ! D405  D(82,81,83,86)         74.3929         -DE/DX =    0.0                 !
 ! D406  D(81,82,84,85)        159.6561         -DE/DX =    0.0                 !
 ! D407  D(81,82,84,133)       -79.3579         -DE/DX =    0.0                 !
 ! D408  D(81,82,84,134)        37.9606         -DE/DX =    0.0                 !
 ! D409  D(81,83,86,87)        171.8695         -DE/DX =    0.0                 !
 ! D410  D(81,83,86,138)       -67.2528         -DE/DX =    0.0                 !
 ! D411  D(81,83,86,139)        50.6198         -DE/DX =    0.0                 !
 ! D412  D(82,84,85,135)       178.7079         -DE/DX =    0.0                 !
 ! D413  D(82,84,85,136)       -61.729          -DE/DX =    0.0                 !
 ! D414  D(82,84,85,137)        59.1924         -DE/DX =    0.0                 !
 ! D415  D(133,84,85,135)       60.3704         -DE/DX =    0.0                 !
 ! D416  D(133,84,85,136)      179.9334         -DE/DX =    0.0                 !
 ! D417  D(133,84,85,137)      -59.1452         -DE/DX =    0.0                 !
 ! D418  D(134,84,85,135)      -61.9869         -DE/DX =    0.0                 !
 ! D419  D(134,84,85,136)       57.5762         -DE/DX =    0.0                 !
 ! D420  D(134,84,85,137)      178.4976         -DE/DX =    0.0                 !
 ! D421  D(82,84,133,143)       71.7609         -DE/DX =    0.0                 !
 ! D422  D(85,84,133,143)     -170.1098         -DE/DX =    0.0                 !
 ! D423  D(134,84,133,143)     -45.5927         -DE/DX =    0.0                 !
 ! D424  D(82,84,134,143)      -81.2905         -DE/DX =    0.0                 !
 ! D425  D(85,84,134,143)      159.9937         -DE/DX =    0.0                 !
 ! D426  D(133,84,134,143)      35.6437         -DE/DX =    0.0                 !
 ! D427  D(83,86,87,140)        59.9744         -DE/DX =    0.0                 !
 ! D428  D(83,86,87,141)       179.7056         -DE/DX =    0.0                 !
 ! D429  D(83,86,87,142)       -60.6383         -DE/DX =    0.0                 !
 ! D430  D(138,86,87,140)      -58.8523         -DE/DX =    0.0                 !
 ! D431  D(138,86,87,141)       60.8789         -DE/DX =    0.0                 !
 ! D432  D(138,86,87,142)     -179.4649         -DE/DX =    0.0                 !
 ! D433  D(139,86,87,140)      179.165          -DE/DX =    0.0                 !
 ! D434  D(139,86,87,141)      -61.1038         -DE/DX =    0.0                 !
 ! D435  D(139,86,87,142)       58.5524         -DE/DX =    0.0                 !
 ! D436  D(84,133,143,9)       -75.5468         -DE/DX =    0.0                 !
 ! D437  D(84,133,143,15)      -70.1913         -DE/DX =    0.0                 !
 ! D438  D(84,133,143,134)      24.7249         -DE/DX =    0.0                 !
 ! D439  D(84,134,143,9)        63.6028         -DE/DX =    0.0                 !
 ! D440  D(84,134,143,15)       53.2085         -DE/DX =    0.0                 !
 ! D441  D(84,134,143,133)     -22.6625         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.834980    2.897462    0.557210
      2          6           0       -2.067346    1.522036    0.686119
      3          6           0       -1.018693    0.595084    0.725436
      4          6           0        0.307776    1.071008    0.673674
      5          6           0        0.549544    2.441188    0.513547
      6          6           0       -0.503151    3.341602    0.452616
      7          6           0       -1.236207   -0.865411    0.712171
      8          6           0       -0.169580   -1.743684    1.028624
      9          6           0        1.120137   -1.158115    1.537740
     10          6           0        1.433731    0.135899    0.829635
     11          6           0       -2.439141   -1.403861    0.241789
     12          6           0       -2.618890   -2.778540    0.041192
     13          6           0       -1.520432   -3.618603    0.271758
     14          6           0       -0.319704   -3.105593    0.745818
     15          7           0        2.229547   -2.048979    1.693831
     16          6           0        3.523757   -1.639644    1.251328
     17          6           0        3.672076   -0.377006    0.634167
     18          7           0        2.608741    0.489776    0.442155
     19          6           0        4.663631   -2.452819    1.350402
     20          6           0        5.895299   -2.014959    0.879617
     21          6           0        6.061705   -0.755052    0.276750
     22          6           0        4.923895    0.042131    0.162119
     23          6           0       -2.962960    3.859828    0.531787
     24          6           0       -3.912348   -3.313041   -0.447084
     25          6           0        7.382324   -0.299772   -0.219439
     26          6           0       -3.962838   -4.383568   -1.355954
     27          6           0       -5.176450   -4.879770   -1.821201
     28          6           0       -6.382873   -4.327443   -1.371815
     29          6           0       -6.349664   -3.266386   -0.457983
     30          6           0       -5.130868   -2.764223   -0.012653
     31          6           0       -2.855283    5.117766    1.149221
     32          6           0       -3.912973    6.021618    1.138338
     33          6           0       -5.110356    5.697848    0.487604
     34          6           0       -5.230131    4.452188   -0.141680
     35          6           0       -4.173719    3.547384   -0.109640
     36          6           0        8.294926   -1.201774   -0.792284
     37          6           0        9.531689   -0.776207   -1.267343
     38          6           0        9.899572    0.571312   -1.166718
     39          6           0        9.004528    1.481893   -0.591040
     40          6           0        7.763656    1.050017   -0.133209
     41          7           0       -6.187851    6.619840    0.465060
     42          7           0       -7.622258   -4.836511   -1.836442
     43          7           0       11.163033    1.008387   -1.642014
     44          6           0       -8.028533   -6.176448   -1.787882
     45          6           0       -9.326613   -6.284550   -2.348358
     46          6           0       -9.721227   -4.952127   -2.755570
     47          6           0       -8.648884   -4.085599   -2.423937
     48          6           0       -7.501089    6.356516    0.875795
     49          6           0       -8.282427    7.526514    0.698353
     50          6           0       -7.403506    8.540580    0.154308
     51          6           0       -6.121552    7.948265    0.025133
     52          6           0       11.380006    2.040564   -2.563633
     53          6           0       12.774386    2.175976   -2.783834
     54          6           0       13.428728    1.183478   -1.957078
     55          6           0       12.406049    0.481918   -1.269121
     56          6           0      -10.864217   -4.430740   -3.372527
     57          6           0      -10.921294   -3.069282   -3.654666
     58          6           0       -9.843369   -2.227307   -3.332920
     59          6           0       -8.694450   -2.720091   -2.718111
     60          6           0       -7.364896   -7.287540   -1.260326
     61          6           0       -8.013238   -8.519115   -1.321417
     62          6           0       -9.293021   -8.646733   -1.887305
     63          6           0       -9.955013   -7.534173   -2.397652
     64          6           0       -7.591925    9.870504   -0.239009
     65          6           0       -6.515006   10.583626   -0.756854
     66          6           0       -5.254983    9.976574   -0.891957
     67          6           0       -5.039851    8.654877   -0.507696
     68          6           0       -8.044370    5.190149    1.421471
     69          6           0       -9.393343    5.204388    1.769137
     70          6           0      -10.185710    6.350249    1.585796
     71          6           0       -9.635610    7.513332    1.055630
     72          6           0       14.768098    0.843190   -1.735120
     73          6           0       15.069129   -0.175311   -0.835911
     74          6           0       14.044000   -0.850405   -0.151854
     75          6           0       12.702906   -0.532315   -0.354467
     76          6           0       10.451740    2.835879   -3.241241
     77          6           0       10.942169    3.787934   -4.132164
     78          6           0       12.321232    3.945405   -4.351441
     79          6           0       13.240099    3.141116   -3.684212
     80          8           0        0.756209   -3.513861    3.477453
     81         15           0        2.089244   -3.345828    2.871423
     82          8           0        3.309941   -3.141184    3.891646
     83          8           0        2.624776   -4.569296    1.970267
     84          6           0        3.139899   -2.381163    5.129777
     85          6           0        4.255026   -2.787849    6.071220
     86          6           0        2.625593   -5.905570    2.553888
     87          6           0        2.975019   -6.890011    1.456169
     88          1           0       -3.088828    1.175710    0.796073
     89          1           0        1.577449    2.779717    0.451653
     90          1           0       -0.298302    4.398763    0.317051
     91          1           0       -3.237581   -0.731601   -0.049760
     92          1           0       -1.608127   -4.686243    0.099174
     93          1           0        0.511766   -3.784009    0.868744
     94          1           0        4.602470   -3.434503    1.792585
     95          1           0        6.753967   -2.667260    1.003905
     96          1           0        4.957286    1.011255   -0.323588
     97          1           0       -3.038626   -4.806933   -1.736636
     98          1           0       -5.196395   -5.682342   -2.550792
     99          1           0       -7.281113   -2.855103   -0.083743
    100          1           0       -5.124145   -1.961058    0.717691
    101          1           0       -1.945375    5.375395    1.682068
    102          1           0       -3.825183    6.973130    1.651901
    103          1           0       -6.144227    4.208485   -0.672616
    104          1           0       -4.275252    2.598737   -0.627544
    105          1           0        8.017341   -2.245159   -0.905758
    106          1           0       10.209392   -1.480419   -1.738297
    107          1           0        9.295346    2.521733   -0.485602
    108          1           0        7.094156    1.765638    0.333748
    109          1           0      -11.693575   -5.082691   -3.631505
    110          1           0      -11.803008   -2.652670   -4.131621
    111          1           0       -9.902763   -1.169150   -3.570006
    112          1           0       -7.863077   -2.065011   -2.483075
    113          1           0       -6.382102   -7.196315   -0.811599
    114          1           0       -7.517068   -9.397303   -0.918840
    115          1           0       -9.769524   -9.621580   -1.920884
    116          1           0      -10.948990   -7.631910   -2.824741
    117          1           0       -8.568274   10.337286   -0.145022
    118          1           0       -6.648226   11.616275   -1.064110
    119          1           0       -4.429114   10.546492   -1.307403
    120          1           0       -4.066825    8.191245   -0.625252
    121          1           0       -7.437673    4.305095    1.576922
    122          1           0       -9.838360    4.309492    2.194071
    123          1           0      -11.234368    6.327147    1.865599
    124          1           0      -10.246260    8.402103    0.924624
    125          1           0       15.561829    1.371553   -2.255521
    126          1           0       16.104152   -0.449193   -0.656301
    127          1           0       14.299566   -1.635955    0.553227
    128          1           0       11.918475   -1.051219    0.185030
    129          1           0        9.385631    2.714140   -3.085648
    130          1           0       10.240293    4.418770   -4.669639
    131          1           0       12.670129    4.698470   -5.051221
    132          1           0       14.305441    3.256540   -3.862320
    133          1           0        3.182339   -1.318398    4.879269
    134          1           0        2.151095   -2.601015    5.538870
    135          1           0        4.171392   -2.219193    7.002698
    136          1           0        4.196481   -3.853159    6.311881
    137          1           0        5.234355   -2.582812    5.629951
    138          1           0        3.362270   -5.927293    3.363737
    139          1           0        1.635123   -6.101569    2.975065
    140          1           0        3.960429   -6.673227    1.034826
    141          1           0        2.989307   -7.905618    1.863791
    142          1           0        2.237466   -6.851703    0.650027
    143         17           0        0.733246   -0.359998    3.403192
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177749           0.0074046           0.0058220
 Hyperfine terms turned off by default for NAtoms > 100.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -101.49900 -77.24843 -19.19602 -19.19190 -19.12009
 Alpha  occ. eigenvalues --  -14.40152 -14.38446 -14.38326 -14.38320 -14.34693
 Alpha  occ. eigenvalues --  -10.31277 -10.26555 -10.25791 -10.25564 -10.25325
 Alpha  occ. eigenvalues --  -10.24375 -10.24221 -10.24166 -10.23377 -10.22535
 Alpha  occ. eigenvalues --  -10.22532 -10.22458 -10.22436 -10.22417 -10.22414
 Alpha  occ. eigenvalues --  -10.21788 -10.21536 -10.21290 -10.21238 -10.21229
 Alpha  occ. eigenvalues --  -10.21154 -10.21115 -10.21077 -10.20874 -10.20713
 Alpha  occ. eigenvalues --  -10.20530 -10.20497 -10.20454 -10.20437 -10.20433
 Alpha  occ. eigenvalues --  -10.20389 -10.20358 -10.20332 -10.20315 -10.20310
 Alpha  occ. eigenvalues --  -10.20303 -10.20301 -10.20273 -10.20247 -10.20210
 Alpha  occ. eigenvalues --  -10.20080 -10.20055 -10.19950 -10.19949 -10.19930
 Alpha  occ. eigenvalues --  -10.19806 -10.19738 -10.19220 -10.18925 -10.18920
 Alpha  occ. eigenvalues --  -10.18904 -10.18890 -10.18869 -10.18849 -10.18845
 Alpha  occ. eigenvalues --  -10.18823 -10.18820 -10.18820 -10.18816 -10.18805
 Alpha  occ. eigenvalues --  -10.18802 -10.18800 -10.18792 -10.18782 -10.18782
 Alpha  occ. eigenvalues --  -10.18769 -10.18747 -10.18738 -10.18720 -10.18710
 Alpha  occ. eigenvalues --  -10.18697 -10.18691 -10.18224 -10.18206 -10.18173
 Alpha  occ. eigenvalues --  -10.18135 -10.18109 -10.18103  -9.41460  -7.17751
 Alpha  occ. eigenvalues --   -7.16951  -7.16919  -6.69493  -4.85860  -4.85855
 Alpha  occ. eigenvalues --   -4.85694  -1.09529  -1.04549  -0.99746  -0.99120
 Alpha  occ. eigenvalues --   -0.99014  -0.98996  -0.97447  -0.93517  -0.89599
 Alpha  occ. eigenvalues --   -0.88063  -0.87964  -0.87517  -0.86258  -0.86051
 Alpha  occ. eigenvalues --   -0.84609  -0.84344  -0.84271  -0.84230  -0.84080
 Alpha  occ. eigenvalues --   -0.84008  -0.81962  -0.79839  -0.79510  -0.79019
 Alpha  occ. eigenvalues --   -0.78486  -0.78261  -0.77553  -0.77154  -0.77016
 Alpha  occ. eigenvalues --   -0.76658  -0.76286  -0.76226  -0.76114  -0.75763
 Alpha  occ. eigenvalues --   -0.74919  -0.74784  -0.74700  -0.74670  -0.74209
 Alpha  occ. eigenvalues --   -0.73939  -0.73320  -0.72030  -0.71525  -0.71455
 Alpha  occ. eigenvalues --   -0.71411  -0.71250  -0.70973  -0.69627  -0.67006
 Alpha  occ. eigenvalues --   -0.66560  -0.65153  -0.64815  -0.64645  -0.64057
 Alpha  occ. eigenvalues --   -0.63985  -0.63284  -0.63005  -0.62678  -0.62359
 Alpha  occ. eigenvalues --   -0.62066  -0.61621  -0.61179  -0.60500  -0.60248
 Alpha  occ. eigenvalues --   -0.59937  -0.59881  -0.59446  -0.58518  -0.58491
 Alpha  occ. eigenvalues --   -0.57899  -0.57779  -0.57371  -0.57303  -0.57269
 Alpha  occ. eigenvalues --   -0.57167  -0.55974  -0.54916  -0.54212  -0.53839
 Alpha  occ. eigenvalues --   -0.53749  -0.53627  -0.53393  -0.52488  -0.51516
 Alpha  occ. eigenvalues --   -0.51429  -0.51397  -0.51156  -0.50725  -0.50450
 Alpha  occ. eigenvalues --   -0.50046  -0.49850  -0.49556  -0.49117  -0.48710
 Alpha  occ. eigenvalues --   -0.48367  -0.48051  -0.47920  -0.47437  -0.46498
 Alpha  occ. eigenvalues --   -0.46431  -0.46204  -0.46132  -0.45926  -0.45806
 Alpha  occ. eigenvalues --   -0.45514  -0.45306  -0.45244  -0.45208  -0.45148
 Alpha  occ. eigenvalues --   -0.45130  -0.44908  -0.44544  -0.44209  -0.43893
 Alpha  occ. eigenvalues --   -0.43782  -0.43600  -0.43540  -0.43495  -0.43458
 Alpha  occ. eigenvalues --   -0.43395  -0.43340  -0.43305  -0.43149  -0.42972
 Alpha  occ. eigenvalues --   -0.42754  -0.42744  -0.42007  -0.41944  -0.41909
 Alpha  occ. eigenvalues --   -0.41888  -0.41764  -0.41702  -0.41632  -0.41614
 Alpha  occ. eigenvalues --   -0.41368  -0.41307  -0.40917  -0.40783  -0.40673
 Alpha  occ. eigenvalues --   -0.40403  -0.39894  -0.39470  -0.39268  -0.39098
 Alpha  occ. eigenvalues --   -0.38684  -0.38452  -0.37972  -0.37826  -0.37707
 Alpha  occ. eigenvalues --   -0.37528  -0.37076  -0.36908  -0.36693  -0.36511
 Alpha  occ. eigenvalues --   -0.36425  -0.36339  -0.36272  -0.36202  -0.36168
 Alpha  occ. eigenvalues --   -0.36007  -0.35919  -0.35761  -0.35572  -0.35379
 Alpha  occ. eigenvalues --   -0.35160  -0.35091  -0.35060  -0.34998  -0.34399
 Alpha  occ. eigenvalues --   -0.34263  -0.33890  -0.33841  -0.33765  -0.33441
 Alpha  occ. eigenvalues --   -0.33370  -0.33322  -0.33112  -0.32944  -0.32509
 Alpha  occ. eigenvalues --   -0.32394  -0.32284  -0.31658  -0.31355  -0.30329
 Alpha  occ. eigenvalues --   -0.29866  -0.28636  -0.28124  -0.27966  -0.27858
 Alpha  occ. eigenvalues --   -0.27732  -0.27617  -0.27178  -0.26692  -0.26675
 Alpha  occ. eigenvalues --   -0.26523  -0.26517  -0.26371  -0.25156  -0.25122
 Alpha  occ. eigenvalues --   -0.25052  -0.25009  -0.24212  -0.23653  -0.22698
 Alpha  occ. eigenvalues --   -0.21593  -0.21291  -0.21223  -0.21178  -0.19818
 Alpha  occ. eigenvalues --   -0.19699  -0.19625
 Alpha virt. eigenvalues --   -0.08991  -0.05428  -0.03885  -0.03843  -0.03171
 Alpha virt. eigenvalues --   -0.02726  -0.02660  -0.02614  -0.01869  -0.01772
 Alpha virt. eigenvalues --   -0.01678  -0.01519   0.00108   0.00619   0.00686
 Alpha virt. eigenvalues --    0.00731   0.01230   0.01426   0.02665   0.03316
 Alpha virt. eigenvalues --    0.03613   0.04164   0.04315   0.04387   0.04430
 Alpha virt. eigenvalues --    0.05125   0.06579   0.07623   0.08066   0.08550
 Alpha virt. eigenvalues --    0.09198   0.09357   0.09386   0.10061   0.10312
 Alpha virt. eigenvalues --    0.10333   0.10471   0.10565   0.10623   0.10666
 Alpha virt. eigenvalues --    0.10712   0.10893   0.11224   0.11481   0.11654
 Alpha virt. eigenvalues --    0.12024   0.12549   0.13004   0.13112   0.13171
 Alpha virt. eigenvalues --    0.13178   0.13224   0.13610   0.13772   0.14265
 Alpha virt. eigenvalues --    0.14446   0.14755   0.15062   0.15165   0.15263
 Alpha virt. eigenvalues --    0.15501   0.15623   0.15651   0.15726   0.15906
 Alpha virt. eigenvalues --    0.15944   0.15974   0.16018   0.16188   0.16237
 Alpha virt. eigenvalues --    0.16317   0.16490   0.16644   0.16817   0.16878
 Alpha virt. eigenvalues --    0.17298   0.17529   0.17641   0.18110   0.18251
 Alpha virt. eigenvalues --    0.18324   0.18344   0.18470   0.18533   0.18591
 Alpha virt. eigenvalues --    0.18694   0.18926   0.19270   0.19484   0.19764
 Alpha virt. eigenvalues --    0.19830   0.19878   0.20027   0.20096   0.20137
 Alpha virt. eigenvalues --    0.20219   0.20412   0.20665   0.20787   0.20824
 Alpha virt. eigenvalues --    0.21026   0.21434   0.21708   0.22195   0.22518
 Alpha virt. eigenvalues --    0.22647   0.22894   0.23010   0.23406   0.24425
 Alpha virt. eigenvalues --    0.24885   0.25177   0.25301   0.25549   0.25625
 Alpha virt. eigenvalues --    0.25654   0.26026   0.26198   0.26284   0.26334
 Alpha virt. eigenvalues --    0.26437   0.26819   0.27096   0.27528   0.27617
 Alpha virt. eigenvalues --    0.27689   0.27784   0.28392   0.29002   0.29491
 Alpha virt. eigenvalues --    0.29576   0.29593   0.29721   0.30291   0.30668
 Alpha virt. eigenvalues --    0.31065   0.31186   0.31416   0.31649   0.32011
 Alpha virt. eigenvalues --    0.32214   0.32350   0.32596   0.33318   0.33662
 Alpha virt. eigenvalues --    0.33909   0.34283   0.34332   0.34795   0.35176
 Alpha virt. eigenvalues --    0.35592   0.35805   0.35854   0.35974   0.36083
 Alpha virt. eigenvalues --    0.36918   0.37144   0.37605   0.37720   0.38226
 Alpha virt. eigenvalues --    0.38726   0.38904   0.39013   0.39093   0.39140
 Alpha virt. eigenvalues --    0.39258   0.39324   0.40114   0.40546   0.41636
 Alpha virt. eigenvalues --    0.41826   0.42053   0.42198   0.43113   0.43723
 Alpha virt. eigenvalues --    0.44377   0.45250   0.45892   0.46114   0.46228
 Alpha virt. eigenvalues --    0.46320   0.46715   0.47483   0.47840   0.48267
 Alpha virt. eigenvalues --    0.48661   0.49108   0.49665   0.49684   0.49765
 Alpha virt. eigenvalues --    0.49817   0.50090   0.50152   0.50429   0.50575
 Alpha virt. eigenvalues --    0.50860   0.51336   0.51515   0.51617   0.51736
 Alpha virt. eigenvalues --    0.51990   0.52137   0.52371   0.52624   0.52762
 Alpha virt. eigenvalues --    0.52837   0.52910   0.52969   0.53143   0.53234
 Alpha virt. eigenvalues --    0.53298   0.53448   0.53537   0.53559   0.53749
 Alpha virt. eigenvalues --    0.53821   0.53911   0.54180   0.54265   0.54454
 Alpha virt. eigenvalues --    0.54533   0.54626   0.54718   0.54776   0.55006
 Alpha virt. eigenvalues --    0.55237   0.55344   0.55490   0.55596   0.55746
 Alpha virt. eigenvalues --    0.55856   0.55972   0.56082   0.56172   0.56282
 Alpha virt. eigenvalues --    0.56417   0.56539   0.56567   0.56759   0.56802
 Alpha virt. eigenvalues --    0.56895   0.57078   0.57174   0.57256   0.57366
 Alpha virt. eigenvalues --    0.57615   0.57658   0.57723   0.57776   0.57871
 Alpha virt. eigenvalues --    0.57985   0.58054   0.58103   0.58209   0.58309
 Alpha virt. eigenvalues --    0.58361   0.58441   0.58625   0.58665   0.58913
 Alpha virt. eigenvalues --    0.59098   0.59333   0.59564   0.59594   0.59669
 Alpha virt. eigenvalues --    0.59716   0.59828   0.59944   0.60035   0.60168
 Alpha virt. eigenvalues --    0.60300   0.60389   0.60530   0.60771   0.60962
 Alpha virt. eigenvalues --    0.60968   0.61170   0.61321   0.61510   0.61518
 Alpha virt. eigenvalues --    0.61548   0.61565   0.61605   0.61621   0.61649
 Alpha virt. eigenvalues --    0.61711   0.61837   0.61964   0.62051   0.62247
 Alpha virt. eigenvalues --    0.62384   0.62486   0.62650   0.63075   0.63239
 Alpha virt. eigenvalues --    0.63589   0.63647   0.63823   0.63891   0.63960
 Alpha virt. eigenvalues --    0.64000   0.64083   0.64144   0.64262   0.64324
 Alpha virt. eigenvalues --    0.64364   0.64414   0.64464   0.64565   0.64920
 Alpha virt. eigenvalues --    0.65212   0.65290   0.65403   0.65445   0.65984
 Alpha virt. eigenvalues --    0.66421   0.66552   0.66728   0.67136   0.67498
 Alpha virt. eigenvalues --    0.68665   0.69244   0.69514   0.69574   0.69687
 Alpha virt. eigenvalues --    0.69746   0.70155   0.70563   0.70728   0.70823
 Alpha virt. eigenvalues --    0.71037   0.71096   0.71675   0.71965   0.72840
 Alpha virt. eigenvalues --    0.73654   0.73719   0.74343   0.74415   0.74457
 Alpha virt. eigenvalues --    0.74878   0.75015   0.75726   0.76132   0.76864
 Alpha virt. eigenvalues --    0.77109   0.77321   0.77450   0.77739   0.77905
 Alpha virt. eigenvalues --    0.78184   0.78515   0.78655   0.78826   0.78958
 Alpha virt. eigenvalues --    0.79447   0.79523   0.79577   0.79603   0.79663
 Alpha virt. eigenvalues --    0.79760   0.80079   0.80406   0.80454   0.80657
 Alpha virt. eigenvalues --    0.80961   0.81313   0.81383   0.81489   0.81766
 Alpha virt. eigenvalues --    0.82107   0.82128   0.82155   0.82286   0.82342
 Alpha virt. eigenvalues --    0.82409   0.82593   0.82706   0.83037   0.83242
 Alpha virt. eigenvalues --    0.83298   0.83496   0.83637   0.83810   0.83945
 Alpha virt. eigenvalues --    0.84001   0.84080   0.84182   0.84354   0.84398
 Alpha virt. eigenvalues --    0.84443   0.84720   0.84780   0.84818   0.85042
 Alpha virt. eigenvalues --    0.85118   0.85409   0.85466   0.85650   0.86096
 Alpha virt. eigenvalues --    0.86264   0.86520   0.86574   0.86953   0.87105
 Alpha virt. eigenvalues --    0.87133   0.87287   0.87727   0.88128   0.88298
 Alpha virt. eigenvalues --    0.88588   0.88685   0.88868   0.89087   0.89419
 Alpha virt. eigenvalues --    0.89879   0.90008   0.90114   0.90138   0.90226
 Alpha virt. eigenvalues --    0.90280   0.90775   0.90856   0.91260   0.91327
 Alpha virt. eigenvalues --    0.91511   0.91921   0.92075   0.92178   0.92479
 Alpha virt. eigenvalues --    0.92681   0.92856   0.93463   0.93786   0.93896
 Alpha virt. eigenvalues --    0.94177   0.94299   0.94691   0.94713   0.94924
 Alpha virt. eigenvalues --    0.95396   0.95669   0.95802   0.96190   0.96826
 Alpha virt. eigenvalues --    0.97025   0.97573   0.97633   0.97705   0.97864
 Alpha virt. eigenvalues --    0.98515   0.98620   0.98906   0.98975   0.99069
 Alpha virt. eigenvalues --    0.99080   0.99167   0.99623   0.99771   0.99883
 Alpha virt. eigenvalues --    0.99934   1.00015   1.00321   1.00693   1.00772
 Alpha virt. eigenvalues --    1.00982   1.01288   1.01386   1.01599   1.01754
 Alpha virt. eigenvalues --    1.02168   1.02601   1.03203   1.03485   1.04239
 Alpha virt. eigenvalues --    1.04525   1.04911   1.05327   1.05654   1.05962
 Alpha virt. eigenvalues --    1.06411   1.06620   1.06675   1.06714   1.06779
 Alpha virt. eigenvalues --    1.06882   1.07184   1.07728   1.08799   1.08924
 Alpha virt. eigenvalues --    1.09527   1.09649   1.10238   1.10809   1.10926
 Alpha virt. eigenvalues --    1.11809   1.11922   1.12340   1.12576   1.12915
 Alpha virt. eigenvalues --    1.13104   1.13369   1.13742   1.13942   1.14344
 Alpha virt. eigenvalues --    1.14571   1.14609   1.14634   1.14696   1.14766
 Alpha virt. eigenvalues --    1.14932   1.15139   1.15450   1.15819   1.15942
 Alpha virt. eigenvalues --    1.16323   1.16687   1.16905   1.17298   1.18220
 Alpha virt. eigenvalues --    1.18669   1.18790   1.18846   1.18946   1.19337
 Alpha virt. eigenvalues --    1.19349   1.19509   1.19920   1.20402   1.20727
 Alpha virt. eigenvalues --    1.20816   1.20827   1.20878   1.21965   1.21989
 Alpha virt. eigenvalues --    1.22545   1.22825   1.23110   1.23763   1.24543
 Alpha virt. eigenvalues --    1.24737   1.25184   1.25515   1.25722   1.26374
 Alpha virt. eigenvalues --    1.26429   1.26645   1.26799   1.27661   1.27808
 Alpha virt. eigenvalues --    1.27844   1.27995   1.28476   1.28749   1.29446
 Alpha virt. eigenvalues --    1.29850   1.30592   1.30644   1.30739   1.30799
 Alpha virt. eigenvalues --    1.31349   1.31885   1.32383   1.32817   1.32898
 Alpha virt. eigenvalues --    1.32935   1.33361   1.34246   1.34595   1.35011
 Alpha virt. eigenvalues --    1.35494   1.36300   1.36657   1.36797   1.36874
 Alpha virt. eigenvalues --    1.36943   1.37012   1.37114   1.37132   1.37167
 Alpha virt. eigenvalues --    1.37372   1.37552   1.37701   1.37788   1.37959
 Alpha virt. eigenvalues --    1.38268   1.38443   1.38554   1.38766   1.38783
 Alpha virt. eigenvalues --    1.38906   1.38991   1.39484   1.39550   1.39804
 Alpha virt. eigenvalues --    1.40079   1.40760   1.40909   1.41277   1.41315
 Alpha virt. eigenvalues --    1.41377   1.41396   1.41474   1.41586   1.41636
 Alpha virt. eigenvalues --    1.41728   1.41759   1.41853   1.41961   1.42032
 Alpha virt. eigenvalues --    1.42271   1.42740   1.42987   1.43078   1.43086
 Alpha virt. eigenvalues --    1.43598   1.43709   1.43768   1.44003   1.44111
 Alpha virt. eigenvalues --    1.44275   1.44541   1.45461   1.45790   1.45949
 Alpha virt. eigenvalues --    1.46089   1.46359   1.46746   1.47054   1.47530
 Alpha virt. eigenvalues --    1.47674   1.48875   1.49088   1.49454   1.50873
 Alpha virt. eigenvalues --    1.51507   1.52659   1.54291   1.55547   1.56628
 Alpha virt. eigenvalues --    1.57809   1.58801   1.58977   1.59028   1.59952
 Alpha virt. eigenvalues --    1.60091   1.60311   1.61263   1.61412   1.61494
 Alpha virt. eigenvalues --    1.61643   1.62547   1.63435   1.63705   1.64168
 Alpha virt. eigenvalues --    1.64347   1.65020   1.65248   1.65793   1.66854
 Alpha virt. eigenvalues --    1.67671   1.68182   1.68448   1.68803   1.69362
 Alpha virt. eigenvalues --    1.69905   1.70900   1.72091   1.72345   1.72585
 Alpha virt. eigenvalues --    1.72743   1.72809   1.72951   1.73283   1.73972
 Alpha virt. eigenvalues --    1.74200   1.74494   1.74578   1.74916   1.75178
 Alpha virt. eigenvalues --    1.75581   1.75761   1.75852   1.75914   1.75964
 Alpha virt. eigenvalues --    1.76211   1.76231   1.76295   1.76397   1.76468
 Alpha virt. eigenvalues --    1.77268   1.77589   1.77748   1.78028   1.78321
 Alpha virt. eigenvalues --    1.78469   1.79113   1.79366   1.79569   1.79609
 Alpha virt. eigenvalues --    1.79761   1.80412   1.80522   1.80613   1.80757
 Alpha virt. eigenvalues --    1.81131   1.81711   1.81871   1.82188   1.82369
 Alpha virt. eigenvalues --    1.82443   1.83087   1.83209   1.83235   1.83385
 Alpha virt. eigenvalues --    1.83944   1.84405   1.84511   1.84662   1.85030
 Alpha virt. eigenvalues --    1.85579   1.86233   1.86691   1.87200   1.87778
 Alpha virt. eigenvalues --    1.87886   1.88141   1.88251   1.88310   1.88417
 Alpha virt. eigenvalues --    1.88561   1.88686   1.89108   1.89146   1.89313
 Alpha virt. eigenvalues --    1.89380   1.89434   1.89488   1.89516   1.90021
 Alpha virt. eigenvalues --    1.90076   1.90206   1.90578   1.90733   1.91086
 Alpha virt. eigenvalues --    1.91089   1.91150   1.91302   1.91448   1.92130
 Alpha virt. eigenvalues --    1.92219   1.92295   1.92331   1.92408   1.92527
 Alpha virt. eigenvalues --    1.92630   1.92733   1.93343   1.93487   1.93762
 Alpha virt. eigenvalues --    1.94437   1.94598   1.94916   1.94957   1.95060
 Alpha virt. eigenvalues --    1.95570   1.95725   1.96038   1.96123   1.96276
 Alpha virt. eigenvalues --    1.96495   1.96668   1.96806   1.96901   1.97085
 Alpha virt. eigenvalues --    1.97288   1.97355   1.97637   1.97752   1.97906
 Alpha virt. eigenvalues --    1.98477   1.98545   1.98576   1.99094   1.99269
 Alpha virt. eigenvalues --    1.99439   1.99479   1.99571   1.99688   1.99922
 Alpha virt. eigenvalues --    2.00135   2.00174   2.00243   2.00444   2.01391
 Alpha virt. eigenvalues --    2.01425   2.01701   2.02204   2.02471   2.02538
 Alpha virt. eigenvalues --    2.02870   2.03037   2.03208   2.03265   2.03299
 Alpha virt. eigenvalues --    2.03515   2.03793   2.03918   2.04068   2.04527
 Alpha virt. eigenvalues --    2.04744   2.04967   2.05180   2.05243   2.05293
 Alpha virt. eigenvalues --    2.05529   2.07107   2.07708   2.08286   2.08375
 Alpha virt. eigenvalues --    2.08396   2.08716   2.09659   2.09948   2.10643
 Alpha virt. eigenvalues --    2.11131   2.11182   2.11354   2.11854   2.12248
 Alpha virt. eigenvalues --    2.12336   2.12362   2.12742   2.13245   2.13963
 Alpha virt. eigenvalues --    2.16459   2.16871   2.16916   2.17062   2.17264
 Alpha virt. eigenvalues --    2.17416   2.17644   2.18047   2.18317   2.18932
 Alpha virt. eigenvalues --    2.19167   2.19710   2.20005   2.20360   2.20597
 Alpha virt. eigenvalues --    2.20730   2.20805   2.20932   2.21106   2.21835
 Alpha virt. eigenvalues --    2.22406   2.22549   2.22635   2.22657   2.23190
 Alpha virt. eigenvalues --    2.23554   2.24399   2.24746   2.25109   2.25180
 Alpha virt. eigenvalues --    2.25247   2.25714   2.25986   2.26369   2.26638
 Alpha virt. eigenvalues --    2.26972   2.27119   2.27318   2.27528   2.28049
 Alpha virt. eigenvalues --    2.28993   2.29215   2.29499   2.29537   2.29784
 Alpha virt. eigenvalues --    2.30281   2.30608   2.30684   2.30933   2.31282
 Alpha virt. eigenvalues --    2.31576   2.31641   2.31862   2.31992   2.32442
 Alpha virt. eigenvalues --    2.32565   2.32667   2.33375   2.33702   2.34615
 Alpha virt. eigenvalues --    2.34734   2.34783   2.34820   2.35565   2.35661
 Alpha virt. eigenvalues --    2.35709   2.35839   2.36527   2.36791   2.37230
 Alpha virt. eigenvalues --    2.37374   2.37447   2.37480   2.37593   2.37786
 Alpha virt. eigenvalues --    2.37858   2.37896   2.38141   2.38458   2.39056
 Alpha virt. eigenvalues --    2.39216   2.39322   2.39389   2.39440   2.39658
 Alpha virt. eigenvalues --    2.39843   2.39877   2.40038   2.40343   2.40727
 Alpha virt. eigenvalues --    2.40784   2.40894   2.41116   2.41448   2.42299
 Alpha virt. eigenvalues --    2.42519   2.43066   2.43139   2.43447   2.43679
 Alpha virt. eigenvalues --    2.43895   2.44074   2.44265   2.44337   2.44410
 Alpha virt. eigenvalues --    2.44486   2.44665   2.44701   2.44721   2.44761
 Alpha virt. eigenvalues --    2.44797   2.45270   2.45406   2.45812   2.46085
 Alpha virt. eigenvalues --    2.46422   2.47131   2.47383   2.47530   2.47714
 Alpha virt. eigenvalues --    2.47781   2.47846   2.48112   2.48240   2.48752
 Alpha virt. eigenvalues --    2.49111   2.49308   2.49599   2.49670   2.50036
 Alpha virt. eigenvalues --    2.50545   2.50898   2.51092   2.51408   2.51527
 Alpha virt. eigenvalues --    2.51829   2.52048   2.52222   2.52757   2.52836
 Alpha virt. eigenvalues --    2.52904   2.52953   2.52967   2.53100   2.53183
 Alpha virt. eigenvalues --    2.53231   2.54196   2.54532   2.54719   2.55617
 Alpha virt. eigenvalues --    2.55765   2.55837   2.55946   2.56301   2.56860
 Alpha virt. eigenvalues --    2.57158   2.57248   2.57384   2.57468   2.57620
 Alpha virt. eigenvalues --    2.57890   2.58117   2.58217   2.58259   2.58565
 Alpha virt. eigenvalues --    2.59110   2.59390   2.59618   2.60014   2.60210
 Alpha virt. eigenvalues --    2.60305   2.60732   2.60895   2.61165   2.61330
 Alpha virt. eigenvalues --    2.61782   2.62034   2.62819   2.63044   2.63387
 Alpha virt. eigenvalues --    2.63436   2.63499   2.63773   2.63967   2.64072
 Alpha virt. eigenvalues --    2.64393   2.65081   2.65236   2.65800   2.65955
 Alpha virt. eigenvalues --    2.66100   2.66184   2.66659   2.66747   2.67086
 Alpha virt. eigenvalues --    2.67752   2.68278   2.68899   2.69531   2.69631
 Alpha virt. eigenvalues --    2.69689   2.69734   2.70183   2.70566   2.70865
 Alpha virt. eigenvalues --    2.71047   2.71154   2.71791   2.71992   2.72348
 Alpha virt. eigenvalues --    2.72472   2.73266   2.73446   2.73944   2.74216
 Alpha virt. eigenvalues --    2.74279   2.74706   2.74791   2.75029   2.75124
 Alpha virt. eigenvalues --    2.75895   2.76422   2.76595   2.76951   2.77076
 Alpha virt. eigenvalues --    2.77498   2.77551   2.77647   2.78336   2.78729
 Alpha virt. eigenvalues --    2.79415   2.80031   2.80213   2.80678   2.81249
 Alpha virt. eigenvalues --    2.81627   2.81855   2.82455   2.82959   2.83233
 Alpha virt. eigenvalues --    2.83691   2.83937   2.84038   2.84100   2.84217
 Alpha virt. eigenvalues --    2.84369   2.84650   2.85098   2.85950   2.86244
 Alpha virt. eigenvalues --    2.86969   2.87500   2.87938   2.89303   2.89491
 Alpha virt. eigenvalues --    2.90631   2.90661   2.90710   2.91487   2.91986
 Alpha virt. eigenvalues --    2.92133   2.92214   2.92450   2.92646   2.93028
 Alpha virt. eigenvalues --    2.94100   2.94764   2.94888   2.95641   2.96398
 Alpha virt. eigenvalues --    2.96408   2.96498   2.96534   2.98656   2.99289
 Alpha virt. eigenvalues --    3.01346   3.01943   3.03595   3.05363   3.05549
 Alpha virt. eigenvalues --    3.05740   3.06306   3.09145   3.10370   3.10628
 Alpha virt. eigenvalues --    3.11254   3.13299   3.13630   3.13741   3.13813
 Alpha virt. eigenvalues --    3.17048   3.17375   3.18180   3.18313   3.18868
 Alpha virt. eigenvalues --    3.19207   3.19294   3.19609   3.19907   3.20379
 Alpha virt. eigenvalues --    3.22337   3.22405   3.22478   3.23359   3.23768
 Alpha virt. eigenvalues --    3.24392   3.24506   3.24525   3.24545   3.24588
 Alpha virt. eigenvalues --    3.24649   3.24792   3.25100   3.25130   3.25190
 Alpha virt. eigenvalues --    3.25978   3.26171   3.26375   3.26926   3.27795
 Alpha virt. eigenvalues --    3.30100   3.31120   3.31148   3.31242   3.31271
 Alpha virt. eigenvalues --    3.31705   3.32815   3.33056   3.33089   3.33533
 Alpha virt. eigenvalues --    3.34525   3.36056   3.37041   3.37349   3.37412
 Alpha virt. eigenvalues --    3.37833   3.38029   3.38128   3.38208   3.38402
 Alpha virt. eigenvalues --    3.42576   3.43693   3.44059   3.44615   3.45009
 Alpha virt. eigenvalues --    3.45040   3.45058   3.45438   3.46633   3.46876
 Alpha virt. eigenvalues --    3.46971   3.46992   3.47953   3.49588   3.49942
 Alpha virt. eigenvalues --    3.50018   3.50142   3.50983   3.51742   3.51795
 Alpha virt. eigenvalues --    3.51924   3.56728   3.71278   3.73566   3.76222
 Alpha virt. eigenvalues --    3.81458   3.81697   3.81855   3.82927   3.83594
 Alpha virt. eigenvalues --    3.84428   3.89938   3.89990   3.90047   4.01151
 Alpha virt. eigenvalues --    4.06883   4.10697   4.10853   4.10895   4.11465
 Alpha virt. eigenvalues --    4.11603   4.11753   4.11849   4.13870   4.13923
 Alpha virt. eigenvalues --    4.13973   4.14171   4.14325   4.14375   4.14441
 Alpha virt. eigenvalues --    4.14757   4.15211   4.15547   4.16060   4.16150
 Alpha virt. eigenvalues --    4.16237   4.16339   4.16899   4.18171   4.18320
 Alpha virt. eigenvalues --    4.18450   4.18468   4.18801   4.18852   4.19091
 Alpha virt. eigenvalues --    4.19815   4.20985   4.21055   4.21097   4.22403
 Alpha virt. eigenvalues --    4.22686   4.23877   4.26026   4.26225   4.30394
 Alpha virt. eigenvalues --    4.32843   4.35636   4.36658   4.37311   4.37337
 Alpha virt. eigenvalues --    4.37475   4.38175   4.38755   4.39991   4.42632
 Alpha virt. eigenvalues --    4.43268   4.43693   4.43900   4.44052   4.44072
 Alpha virt. eigenvalues --    4.44296   4.45405   4.45501   4.45646   4.47572
 Alpha virt. eigenvalues --    4.48528   4.49963   4.52784   4.52850   4.52874
 Alpha virt. eigenvalues --    4.53016   4.53596   4.53663   4.53728   4.53855
 Alpha virt. eigenvalues --    4.56575   4.59203   4.59596   4.69520   4.74541
 Alpha virt. eigenvalues --    4.78726   4.80885   4.82492   4.83710   4.85879
 Alpha virt. eigenvalues --    4.88883   4.90653   4.93199   4.93262   4.93310
 Alpha virt. eigenvalues --    4.94804
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  C    0.070917
     2  C   -0.176329
     3  C    0.073167
     4  C    0.063747
     5  C   -0.104269
     6  C   -0.122130
     7  C    0.072784
     8  C    0.138481
     9  C   -0.013978
    10  C    0.299813
    11  C   -0.165087
    12  C    0.073405
    13  C   -0.130064
    14  C   -0.092901
    15  N   -0.727173
    16  C    0.332356
    17  C    0.240609
    18  N   -0.564857
    19  C   -0.119869
    20  C   -0.134702
    21  C    0.068833
    22  C   -0.152830
    23  C    0.071668
    24  C    0.071511
    25  C    0.076750
    26  C   -0.129206
    27  C   -0.099570
    28  C    0.246969
    29  C   -0.099687
    30  C   -0.129555
    31  C   -0.130129
    32  C   -0.099106
    33  C    0.246308
    34  C   -0.099612
    35  C   -0.128572
    36  C   -0.132423
    37  C   -0.098862
    38  C    0.243999
    39  C   -0.099760
    40  C   -0.129055
    41  N   -0.732842
    42  N   -0.733058
    43  N   -0.732171
    44  C    0.293219
    45  C    0.040860
    46  C    0.040960
    47  C    0.293267
    48  C    0.293188
    49  C    0.040821
    50  C    0.040933
    51  C    0.293190
    52  C    0.293055
    53  C    0.040834
    54  C    0.040785
    55  C    0.293279
    56  C   -0.133193
    57  C   -0.100277
    58  C   -0.098636
    59  C   -0.110187
    60  C   -0.110491
    61  C   -0.098656
    62  C   -0.100268
    63  C   -0.133220
    64  C   -0.133307
    65  C   -0.100322
    66  C   -0.098712
    67  C   -0.110473
    68  C   -0.110523
    69  C   -0.098738
    70  C   -0.100344
    71  C   -0.133292
    72  C   -0.133405
    73  C   -0.100519
    74  C   -0.098768
    75  C   -0.110617
    76  C   -0.110815
    77  C   -0.098753
    78  C   -0.100431
    79  C   -0.133381
    80  O   -0.560490
    81  P    1.418338
    82  O   -0.571427
    83  O   -0.595343
    84  C    0.034294
    85  C   -0.337280
    86  C    0.030132
    87  C   -0.335883
    88  H    0.094792
    89  H    0.114008
    90  H    0.091426
    91  H    0.089766
    92  H    0.089313
    93  H    0.106752
    94  H    0.121183
    95  H    0.090468
    96  H    0.103467
    97  H    0.095346
    98  H    0.109719
    99  H    0.110592
   100  H    0.098109
   101  H    0.099089
   102  H    0.110319
   103  H    0.109173
   104  H    0.093016
   105  H    0.093070
   106  H    0.108431
   107  H    0.109524
   108  H    0.097683
   109  H    0.085529
   110  H    0.080909
   111  H    0.083413
   112  H    0.091221
   113  H    0.092468
   114  H    0.082506
   115  H    0.080360
   116  H    0.085530
   117  H    0.085232
   118  H    0.080212
   119  H    0.082761
   120  H    0.092421
   121  H    0.092353
   122  H    0.083143
   123  H    0.080427
   124  H    0.085234
   125  H    0.085135
   126  H    0.079829
   127  H    0.081738
   128  H    0.091324
   129  H    0.093213
   130  H    0.082994
   131  H    0.080128
   132  H    0.084975
   133  H    0.139669
   134  H    0.147230
   135  H    0.118211
   136  H    0.119427
   137  H    0.124890
   138  H    0.124454
   139  H    0.139625
   140  H    0.126144
   141  H    0.117056
   142  H    0.127717
   143  Cl  -0.205649
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.070917
     2  C   -0.081537
     3  C    0.073167
     4  C    0.063747
     5  C    0.009739
     6  C   -0.030704
     7  C    0.072784
     8  C    0.138481
     9  C   -0.013978
    10  C    0.299813
    11  C   -0.075321
    12  C    0.073405
    13  C   -0.040751
    14  C    0.013851
    15  N   -0.727173
    16  C    0.332356
    17  C    0.240609
    18  N   -0.564857
    19  C    0.001314
    20  C   -0.044234
    21  C    0.068833
    22  C   -0.049363
    23  C    0.071668
    24  C    0.071511
    25  C    0.076750
    26  C   -0.033861
    27  C    0.010149
    28  C    0.246969
    29  C    0.010904
    30  C   -0.031446
    31  C   -0.031040
    32  C    0.011213
    33  C    0.246308
    34  C    0.009561
    35  C   -0.035556
    36  C   -0.039353
    37  C    0.009570
    38  C    0.243999
    39  C    0.009764
    40  C   -0.031372
    41  N   -0.732842
    42  N   -0.733058
    43  N   -0.732171
    44  C    0.293219
    45  C    0.040860
    46  C    0.040960
    47  C    0.293267
    48  C    0.293188
    49  C    0.040821
    50  C    0.040933
    51  C    0.293190
    52  C    0.293055
    53  C    0.040834
    54  C    0.040785
    55  C    0.293279
    56  C   -0.047664
    57  C   -0.019367
    58  C   -0.015223
    59  C   -0.018965
    60  C   -0.018023
    61  C   -0.016150
    62  C   -0.019908
    63  C   -0.047690
    64  C   -0.048075
    65  C   -0.020110
    66  C   -0.015950
    67  C   -0.018052
    68  C   -0.018170
    69  C   -0.015595
    70  C   -0.019917
    71  C   -0.048058
    72  C   -0.048270
    73  C   -0.020690
    74  C   -0.017030
    75  C   -0.019293
    76  C   -0.017603
    77  C   -0.015759
    78  C   -0.020303
    79  C   -0.048406
    80  O   -0.560490
    81  P    1.418338
    82  O   -0.571427
    83  O   -0.595343
    84  C    0.321193
    85  C    0.025248
    86  C    0.294211
    87  C    0.035034
   143  Cl  -0.205649
 Electronic spatial extent (au):  <R**2>=         174264.6173
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.7210    Y=             -3.7808    Z=              0.4268  Tot=              4.6776
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -518.6117   YY=           -471.6143   ZZ=           -520.1968
   XY=            -19.5821   XZ=             18.4059   YZ=            -13.3945
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -15.1375   YY=             31.8599   ZZ=            -16.7225
   XY=            -19.5821   XZ=             18.4059   YZ=            -13.3945
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -106.9013  YYY=           -271.8964  ZZZ=            162.1536  XYY=            162.5301
  XXY=           -124.3295  XXZ=             83.3490  XZZ=            117.2741  YZZ=            -42.2036
  YYZ=             30.1785  XYZ=           -102.1027
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=        -164825.5539 YYYY=         -58720.7284 ZZZZ=         -12994.4884 XXXY=          -1379.6295
 XXXZ=            839.9177 YYYX=           -464.8508 YYYZ=          -1102.8369 ZZZX=            578.8047
 ZZZY=           -714.0703 XXYY=         -37375.9461 XXZZ=         -30452.5247 YYZZ=         -12803.4841
 XXYZ=           -773.4842 YYXZ=            368.4937 ZZXY=             46.8270
 N-N= 1.352428883134D+04 E-N=-3.707989587375D+04  KE= 4.270314994413D+03
 1\1\GINC-W2303\FOpt\RB3LYP\6-31G(d,p)\C78H55Cl1N5O3P1\SC70848\21-Jun-2
 022\0\\# opt freq b3lyp/6-31g(d,p) geom=connectivity\\Title Card Requi
 red\\0,1\C,-4.0042689057,3.2087037967,0.6641828014\C,-3.8584804943,1.8
 156508413,0.6877787408\C,-2.5991824329,1.203708709,0.700185198\C,-1.44
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 286695,-0.9980879648\C,7.9486891406,4.2551716783,-0.789886214\C,6.8317
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 91078611\C,-9.4220462369,-6.1875749209,-3.4759969884\C,-8.6291792757,-
 5.0935623963,-3.0455675406\C,-10.3985489015,4.9861851216,1.0178593888\
 C,-11.4639301998,5.9138838865,0.8945415166\C,-10.8829521426,7.16543211
 74,0.455328127\C,-9.4867330116,6.9504253314,0.3317361582\C,8.999570326
 6,6.1710909858,-2.0254676084\C,10.3088978557,6.692083256,-2.1846768898
 \C,11.1935626006,5.8505528128,-1.4062572236\C,10.3874373961,4.84940981
 01,-0.8069082219\C,-10.6532484727,-5.94570183,-4.0961133671\C,-11.0714
 255097,-4.63183018,-4.2839853991\C,-10.2663919575,-3.5591336348,-3.864
 9308052\C,-9.037174048,-3.7717832669,-3.2447338841\C,-6.546939699,-7.9
 139394359,-2.0633274404\C,-6.8373904067,-9.2657137939,-2.2342081731\C,
 -8.0257796552,-9.6876895291,-2.8539065852\C,-8.9553645652,-8.757393134
 6,-3.3087676276\C,-11.4172504553,8.4224007823,0.1496295451\C,-10.56478
 6831,9.4360336527,-0.2773529464\C,-9.1856031474,9.201454453,-0.4086876
 25\C,-8.6276643774,7.9602497646,-0.1104652566\C,-10.6152954225,3.67827
 0968,1.4602482067\C,-11.9234017544,3.3033012098,1.758672954\C,-12.9927
 855924,4.205319786,1.6273806575\C,-12.7688377861,5.5107100077,1.200470
 3664\C,12.571286831,5.8657972678,-1.1600510798\C,13.1216756421,4.89894
 62892,-0.3241016843\C,12.3061064481,3.9228624825,0.2731270045\C,10.932
 4061292,3.8843445299,0.0445857884\C,7.902059083,6.7382797358,-2.679012
 8291\C,8.1314099631,7.8529292872,-3.4825233674\C,9.4200186148,8.390924
 565,-3.6398236878\C,10.511074194,7.8134009656,-2.9975960167\O,0.174968
 2038,-2.4788384963,3.2201541151\P,1.4226726415,-1.9131300505,2.6763738
 011\O,2.5260195442,-1.4681751255,3.7522353299\O,2.2833243689,-2.874665
 5154,1.7117603703\C,2.1369640127,-0.8797203654,5.0335897677\C,3.305105
 2683,-1.044019416,5.9842055349\C,2.6356572505,-4.2027601874,2.19988827
 16\C,3.2557559642,-4.9694718906,1.0493063679\H,-4.7500637391,1.2006527
 28,0.7358841698\H,-0.6856660623,4.0189095102,0.6750396318\H,-2.9266229
 964,5.0810111003,0.5860367512\H,-4.3643182637,-0.6053348701,-0.2464625
 599\H,-1.7297400331,-3.9773770963,-0.3159171156\H,0.0548506502,-2.6020
 302247,0.5917530362\H,3.8835281853,-1.2408685046,1.6862671322\H,5.7602
 329562,0.1338522586,1.0322466202\H,3.058339889,3.2870517959,-0.0986283
 839\H,-3.0445380542,-4.3348946937,-2.2065726448\H,-4.8721166426,-5.691
 1912155,-3.1581892413\H,-7.6827441796,-3.7261749539,-0.5765725349\H,-5
 .8607656242,-2.3512128226,0.3636383407\H,-4.7981609117,5.4715613066,1.
 9552510427\H,-7.0389572697,6.5040324098,1.9687150195\H,-8.4869716662,3
 .4071448976,-0.6268867246\H,-6.2536006713,2.3590798855,-0.6267292291\H
 ,6.8933400123,1.025682007,-0.7958137382\H,8.8104702708,2.4122665039,-1
 .4922541605\H,6.8290829641,5.9133710491,0.0038457818\H,4.9010317237,4.
 5336569629,0.687410633\H,-11.2713416664,-6.7741230039,-4.430215098\H,-
 12.0250629642,-4.4313307801,-4.7623636467\H,-10.6055918156,-2.54061506
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 286575,-7.5974913183,-1.5737964666\H,-6.1290105851,-10.0070852073,-1.8
 763885465\H,-8.2206044157,-10.7489844418,-2.9730990188\H,-9.8789328788
 ,-9.0847668863,-3.7775927757\H,-12.4847862122,8.6015377435,0.240477388
 8\H,-10.9670304165,10.4156872576,-0.5160942719\H,-8.5377917434,10.0023
 305273,-0.7527804232\H,-7.5637966616,7.7850690956,-0.2247087852\H,-9.7
 946583944,2.9790611624,1.5752612774\H,-12.1169345785,2.2917592526,2.10
 33141741\H,-14.0005979066,3.8802767531,1.8664781851\H,-13.5946804605,6
 .210538667,1.1099437638\H,13.2010840251,6.6262695851,-1.6128543442\H,1
 4.1891563741,4.8996169237,-0.126543828\H,12.7529379776,3.1825291873,0.
 9302336286\H,10.3086971102,3.1339721193,0.5174284128\H,6.9061036705,6.
 3234460706,-2.571288636\H,7.2940062813,8.3120464013,-3.9996579792\H,9.
 5637824468,9.2617524982,-4.2718975701\H,11.508360718,8.2237052905,-3.1
 282349859\H,1.8947704729,0.1715693826,4.8599321673\H,1.2378307581,-1.3
 876436583,5.3899584498\H,3.0558938401,-0.5924342337,6.949596038\H,3.53
 26413386,-2.1013104231,6.1472821305\H,4.1996396251,-0.5503737154,5.594
 3768733\H,3.3376037864,-4.0887051616,3.0325245457\H,1.7282809618,-4.68
 91602774,2.5699143914\H,4.1526492629,-4.4644577644,0.6803866772\H,3.53
 72783737,-5.9724176524,1.384960218\H,2.5484253679,-5.0681238671,0.2214
 963898\Cl,-0.6979479623,0.5492822526,3.3664341562\\Version=ES64L-G16Re
 vA.03\State=1-A\HF=-4306.680699\RMSD=7.189e-09\RMSF=1.526e-06\Dipole=1
 .4296951,-1.154271,0.1020978\Quadrupole=-1.6456128,14.3716744,-12.7260
 615,-22.6011995,14.335271,-4.1987441\PG=C01 [X(C78H55Cl1N5O3P1)]\\@


 OLD AGE AND TREACHERY WILL ALWAYS PREVAIL OVER YOUTH AND SKILL.
 Job cpu time:       3 days  7 hours 16 minutes 44.9 seconds.
 Elapsed time:       0 days  1 hours 16 minutes 14.0 seconds.
 File lengths (MBytes):  RWF=   1575 Int=      0 D2E=      0 Chk=    194 Scr=      1
 Normal termination of Gaussian 16 at Tue Jun 21 11:13:53 2022.
 Link1:  Proceeding to internal job step number  2.
 ----------------------------------------------------------------------
 #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-31G(d,p) Freq
 ----------------------------------------------------------------------
 1/10=4,29=7,30=1,38=1,40=1/1,3;
 2/12=2,40=1/2;
 3/5=1,6=6,7=101,11=2,14=-4,25=1,30=1,70=2,71=2,74=-5,116=1,140=1/1,2,3;
 4/5=101/1;
 5/5=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 11/6=1,8=1,9=11,15=111,16=1/1,2,10;
 10/6=1/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,10=1,25=1/1,2,3,16;
 1/10=4,30=1/3;
 99//99;
 Structure from the checkpoint file:  "pd.chk"
 -------------------
 Title Card Required
 -------------------
 Charge =  0 Multiplicity = 1
 Redundant internal coordinates found in file.  (old form).
 C,0,-4.0042689057,3.2087037967,0.6641828014
 C,0,-3.8584804943,1.8156508413,0.6877787408
 C,0,-2.5991824329,1.203708709,0.700185198
 C,0,-1.449946089,2.0204426027,0.7302898918
 C,0,-1.5847606166,3.4133936713,0.6755481381
 C,0,-2.8404313108,4.0004392118,0.6395870746
 C,0,-2.4138137387,-0.2560538168,0.5766280143
 C,0,-1.1548483968,-0.8378659352,0.8693724554
 C,0,-0.0796912019,0.0309181617,1.464949727
 C,0,-0.1159147241,1.4123756025,0.861220895
 C,0,-3.4187820723,-1.0593139593,0.0261296905
 C,0,-3.2172093009,-2.4120537875,-0.2767811898
 C,0,-1.9365324287,-2.94199542,-0.0658152571
 C,0,-0.926874885,-2.164039233,0.4864853097
 N,0,1.2264576653,-0.5391084901,1.5985102359
 C,0,2.3689519564,0.235253125,1.2332512243
 C,0,2.1806255309,1.5352263165,0.7119589153
 N,0,0.9259187512,2.0972614106,0.5425804193
 C,0,3.6843633138,-0.2475914332,1.3165297384
 C,0,4.7594019445,0.5395768668,0.9227976084
 C,0,4.5889936645,1.8406718832,0.4162231274
 C,0,3.2801403142,2.3099176446,0.316389601
 C,0,-5.3497266575,3.8323045468,0.6652188992
 C,0,-4.3101006359,-3.2344133569,-0.848138534
 C,0,5.7453675994,2.6703870101,0.0016297544
 C,0,-4.054794476,-4.2056421899,-1.8310712877
 C,0,-5.0815384527,-4.9715946152,-2.3738775177
 C,0,-6.3994253598,-4.7994993128,-1.9311266595
 C,0,-6.6688894446,-3.8423821556,-0.9445415583
 C,0,-5.6384426258,-3.067775746,-0.4209835454
 C,0,-5.5958914987,5.0213739592,1.3728512766
 C,0,-6.8581095345,5.6065104876,1.386840135
 C,0,-7.9128102369,5.0248368053,0.671808666
 C,0,-7.681416549,3.8452298924,-0.0472157082
 C,0,-6.4205141659,3.2571997506,-0.0402278488
 C,0,6.8768602378,2.0932681762,-0.5994192175
 C,0,7.9601931798,2.8703286695,-0.9980879648
 C,0,7.9486891406,4.2551716783,-0.789886214
 C,0,6.8317355129,4.845018559,-0.1847725169
 C,0,5.7464300643,4.0621300643,0.1961303567
 N,0,-9.1988056243,5.6229842273,0.6747237827
 N,0,-7.4475151811,-5.5847652849,-2.4751560571
 N,0,9.0546179903,5.0504613595,-1.1870115545
 C,0,-7.4774326785,-6.984162343,-2.5355066513
 C,0,-8.6887969219,-7.3927230231,-3.1491078611
 C,0,-9.4220462369,-6.1875749209,-3.4759969884
 C,0,-8.6291792757,-5.0935623963,-3.0455675406
 C,0,-10.3985489015,4.9861851216,1.0178593888
 C,0,-11.4639301998,5.9138838865,0.8945415166
 C,0,-10.8829521426,7.1654321174,0.455328127
 C,0,-9.4867330116,6.9504253314,0.3317361582
 C,0,8.9995703266,6.1710909858,-2.0254676084
 C,0,10.3088978557,6.692083256,-2.1846768898
 C,0,11.1935626006,5.8505528128,-1.4062572236
 C,0,10.3874373961,4.8494098101,-0.8069082219
 C,0,-10.6532484727,-5.94570183,-4.0961133671
 C,0,-11.0714255097,-4.63183018,-4.2839853991
 C,0,-10.2663919575,-3.5591336348,-3.8649308052
 C,0,-9.037174048,-3.7717832669,-3.2447338841
 C,0,-6.546939699,-7.9139394359,-2.0633274404
 C,0,-6.8373904067,-9.2657137939,-2.2342081731
 C,0,-8.0257796552,-9.6876895291,-2.8539065852
 C,0,-8.9553645652,-8.7573931346,-3.3087676276
 C,0,-11.4172504553,8.4224007823,0.1496295451
 C,0,-10.564786831,9.4360336527,-0.2773529464
 C,0,-9.1856031474,9.201454453,-0.408687625
 C,0,-8.6276643774,7.9602497646,-0.1104652566
 C,0,-10.6152954225,3.678270968,1.4602482067
 C,0,-11.9234017544,3.3033012098,1.758672954
 C,0,-12.9927855924,4.205319786,1.6273806575
 C,0,-12.7688377861,5.5107100077,1.2004703664
 C,0,12.571286831,5.8657972678,-1.1600510798
 C,0,13.1216756421,4.8989462892,-0.3241016843
 C,0,12.3061064481,3.9228624825,0.2731270045
 C,0,10.9324061292,3.8843445299,0.0445857884
 C,0,7.902059083,6.7382797358,-2.6790128291
 C,0,8.1314099631,7.8529292872,-3.4825233674
 C,0,9.4200186148,8.390924565,-3.6398236878
 C,0,10.511074194,7.8134009656,-2.9975960167
 O,0,0.1749682038,-2.4788384963,3.2201541151
 P,0,1.4226726415,-1.9131300505,2.6763738011
 O,0,2.5260195442,-1.4681751255,3.7522353299
 O,0,2.2833243689,-2.8746655154,1.7117603703
 C,0,2.1369640127,-0.8797203654,5.0335897677
 C,0,3.3051052683,-1.044019416,5.9842055349
 C,0,2.6356572505,-4.2027601874,2.1998882716
 C,0,3.2557559642,-4.9694718906,1.0493063679
 H,0,-4.7500637391,1.200652728,0.7358841698
 H,0,-0.6856660623,4.0189095102,0.6750396318
 H,0,-2.9266229964,5.0810111003,0.5860367512
 H,0,-4.3643182637,-0.6053348701,-0.2464625599
 H,0,-1.7297400331,-3.9773770963,-0.3159171156
 H,0,0.0548506502,-2.6020302247,0.5917530362
 H,0,3.8835281853,-1.2408685046,1.6862671322
 H,0,5.7602329562,0.1338522586,1.0322466202
 H,0,3.058339889,3.2870517959,-0.0986283839
 H,0,-3.0445380542,-4.3348946937,-2.2065726448
 H,0,-4.8721166426,-5.6911912155,-3.1581892413
 H,0,-7.6827441796,-3.7261749539,-0.5765725349
 H,0,-5.8607656242,-2.3512128226,0.3636383407
 H,0,-4.7981609117,5.4715613066,1.9552510427
 H,0,-7.0389572697,6.5040324098,1.9687150195
 H,0,-8.4869716662,3.4071448976,-0.6268867246
 H,0,-6.2536006713,2.3590798855,-0.6267292291
 H,0,6.8933400123,1.025682007,-0.7958137382
 H,0,8.8104702708,2.4122665039,-1.4922541605
 H,0,6.8290829641,5.9133710491,0.0038457818
 H,0,4.9010317237,4.5336569629,0.687410633
 H,0,-11.2713416664,-6.7741230039,-4.430215098
 H,0,-12.0250629642,-4.4313307801,-4.7623636467
 H,0,-10.6055918156,-2.5406150628,-4.0292428244
 H,0,-8.4175987245,-2.9379655772,-2.9342070509
 H,0,-5.6327286575,-7.5974913183,-1.5737964666
 H,0,-6.1290105851,-10.0070852073,-1.8763885465
 H,0,-8.2206044157,-10.7489844418,-2.9730990188
 H,0,-9.8789328788,-9.0847668863,-3.7775927757
 H,0,-12.4847862122,8.6015377435,0.2404773888
 H,0,-10.9670304165,10.4156872576,-0.5160942719
 H,0,-8.5377917434,10.0023305273,-0.7527804232
 H,0,-7.5637966616,7.7850690956,-0.2247087852
 H,0,-9.7946583944,2.9790611624,1.5752612774
 H,0,-12.1169345785,2.2917592526,2.1033141741
 H,0,-14.0005979066,3.8802767531,1.8664781851
 H,0,-13.5946804605,6.210538667,1.1099437638
 H,0,13.2010840251,6.6262695851,-1.6128543442
 H,0,14.1891563741,4.8996169237,-0.126543828
 H,0,12.7529379776,3.1825291873,0.9302336286
 H,0,10.3086971102,3.1339721193,0.5174284128
 H,0,6.9061036705,6.3234460706,-2.571288636
 H,0,7.2940062813,8.3120464013,-3.9996579792
 H,0,9.5637824468,9.2617524982,-4.2718975701
 H,0,11.508360718,8.2237052905,-3.1282349859
 H,0,1.8947704729,0.1715693826,4.8599321673
 H,0,1.2378307581,-1.3876436583,5.3899584498
 H,0,3.0558938401,-0.5924342337,6.949596038
 H,0,3.5326413386,-2.1013104231,6.1472821305
 H,0,4.1996396251,-0.5503737154,5.5943768733
 H,0,3.3376037864,-4.0887051616,3.0325245457
 H,0,1.7282809618,-4.6891602774,2.5699143914
 H,0,4.1526492629,-4.4644577644,0.6803866772
 H,0,3.5372783737,-5.9724176524,1.384960218
 H,0,2.5484253679,-5.0681238671,0.2214963898
 Cl,0,-0.6979479623,0.5492822526,3.3664341562
 Recover connectivity data from disk.

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.4009         calculate D2E/DX2 analytically  !
 ! R2    R(1,6)                  1.4078         calculate D2E/DX2 analytically  !
 ! R3    R(1,23)                 1.4829         calculate D2E/DX2 analytically  !
 ! R4    R(2,3)                  1.4002         calculate D2E/DX2 analytically  !
 ! R5    R(2,88)                 1.0842         calculate D2E/DX2 analytically  !
 ! R6    R(3,4)                  1.4102         calculate D2E/DX2 analytically  !
 ! R7    R(3,7)                  1.4767         calculate D2E/DX2 analytically  !
 ! R8    R(4,5)                  1.4005         calculate D2E/DX2 analytically  !
 ! R9    R(4,10)                 1.4719         calculate D2E/DX2 analytically  !
 ! R10   R(5,6)                  1.3866         calculate D2E/DX2 analytically  !
 ! R11   R(5,89)                 1.084          calculate D2E/DX2 analytically  !
 ! R12   R(6,90)                 1.0853         calculate D2E/DX2 analytically  !
 ! R13   R(7,8)                  1.4175         calculate D2E/DX2 analytically  !
 ! R14   R(7,11)                 1.3994         calculate D2E/DX2 analytically  !
 ! R15   R(8,9)                  1.5051         calculate D2E/DX2 analytically  !
 ! R16   R(8,14)                 1.399          calculate D2E/DX2 analytically  !
 ! R17   R(9,10)                 1.5081         calculate D2E/DX2 analytically  !
 ! R18   R(9,15)                 1.4314         calculate D2E/DX2 analytically  !
 ! R19   R(9,143)                2.0656         calculate D2E/DX2 analytically  !
 ! R20   R(10,18)                1.2869         calculate D2E/DX2 analytically  !
 ! R21   R(11,12)                1.4008         calculate D2E/DX2 analytically  !
 ! R22   R(11,91)                1.0837         calculate D2E/DX2 analytically  !
 ! R23   R(12,13)                1.402          calculate D2E/DX2 analytically  !
 ! R24   R(12,24)                1.4823         calculate D2E/DX2 analytically  !
 ! R25   R(13,14)                1.3891         calculate D2E/DX2 analytically  !
 ! R26   R(13,92)                1.085          calculate D2E/DX2 analytically  !
 ! R27   R(14,93)                1.0801         calculate D2E/DX2 analytically  !
 ! R28   R(15,16)                1.4277         calculate D2E/DX2 analytically  !
 ! R29   R(15,81)                1.7573         calculate D2E/DX2 analytically  !
 ! R30   R(15,143)               2.8308         calculate D2E/DX2 analytically  !
 ! R31   R(16,17)                1.4132         calculate D2E/DX2 analytically  !
 ! R32   R(16,19)                1.4037         calculate D2E/DX2 analytically  !
 ! R33   R(17,18)                1.3852         calculate D2E/DX2 analytically  !
 ! R34   R(17,22)                1.402          calculate D2E/DX2 analytically  !
 ! R35   R(19,20)                1.3894         calculate D2E/DX2 analytically  !
 ! R36   R(19,94)                1.0784         calculate D2E/DX2 analytically  !
 ! R37   R(20,21)                1.4066         calculate D2E/DX2 analytically  !
 ! R38   R(20,95)                1.0855         calculate D2E/DX2 analytically  !
 ! R39   R(21,22)                1.394          calculate D2E/DX2 analytically  !
 ! R40   R(21,25)                1.4824         calculate D2E/DX2 analytically  !
 ! R41   R(22,96)                1.0845         calculate D2E/DX2 analytically  !
 ! R42   R(23,31)                1.4054         calculate D2E/DX2 analytically  !
 ! R43   R(23,35)                1.4053         calculate D2E/DX2 analytically  !
 ! R44   R(24,26)                1.4052         calculate D2E/DX2 analytically  !
 ! R45   R(24,30)                1.4052         calculate D2E/DX2 analytically  !
 ! R46   R(25,36)                1.4052         calculate D2E/DX2 analytically  !
 ! R47   R(25,40)                1.4053         calculate D2E/DX2 analytically  !
 ! R48   R(26,27)                1.3912         calculate D2E/DX2 analytically  !
 ! R49   R(26,97)                1.0855         calculate D2E/DX2 analytically  !
 ! R50   R(27,28)                1.4009         calculate D2E/DX2 analytically  !
 ! R51   R(27,98)                1.0848         calculate D2E/DX2 analytically  !
 ! R52   R(28,29)                1.4007         calculate D2E/DX2 analytically  !
 ! R53   R(28,42)                1.4181         calculate D2E/DX2 analytically  !
 ! R54   R(29,30)                1.3914         calculate D2E/DX2 analytically  !
 ! R55   R(29,99)                1.0848         calculate D2E/DX2 analytically  !
 ! R56   R(30,100)               1.0856         calculate D2E/DX2 analytically  !
 ! R57   R(31,32)                1.3913         calculate D2E/DX2 analytically  !
 ! R58   R(31,101)               1.0855         calculate D2E/DX2 analytically  !
 ! R59   R(32,33)                1.4007         calculate D2E/DX2 analytically  !
 ! R60   R(32,102)               1.0848         calculate D2E/DX2 analytically  !
 ! R61   R(33,34)                1.4007         calculate D2E/DX2 analytically  !
 ! R62   R(33,41)                1.4183         calculate D2E/DX2 analytically  !
 ! R63   R(34,35)                1.3913         calculate D2E/DX2 analytically  !
 ! R64   R(34,103)               1.0848         calculate D2E/DX2 analytically  !
 ! R65   R(35,104)               1.0856         calculate D2E/DX2 analytically  !
 ! R66   R(36,37)                1.3915         calculate D2E/DX2 analytically  !
 ! R67   R(36,105)               1.0856         calculate D2E/DX2 analytically  !
 ! R68   R(37,38)                1.4005         calculate D2E/DX2 analytically  !
 ! R69   R(37,106)               1.0849         calculate D2E/DX2 analytically  !
 ! R70   R(38,39)                1.4006         calculate D2E/DX2 analytically  !
 ! R71   R(38,43)                1.4189         calculate D2E/DX2 analytically  !
 ! R72   R(39,40)                1.3914         calculate D2E/DX2 analytically  !
 ! R73   R(39,107)               1.0849         calculate D2E/DX2 analytically  !
 ! R74   R(40,108)               1.0855         calculate D2E/DX2 analytically  !
 ! R75   R(41,48)                1.4009         calculate D2E/DX2 analytically  !
 ! R76   R(41,51)                1.4009         calculate D2E/DX2 analytically  !
 ! R77   R(42,44)                1.401          calculate D2E/DX2 analytically  !
 ! R78   R(42,47)                1.4011         calculate D2E/DX2 analytically  !
 ! R79   R(43,52)                1.4007         calculate D2E/DX2 analytically  !
 ! R80   R(43,55)                1.4005         calculate D2E/DX2 analytically  !
 ! R81   R(44,45)                1.418          calculate D2E/DX2 analytically  !
 ! R82   R(44,60)                1.3976         calculate D2E/DX2 analytically  !
 ! R83   R(45,46)                1.4481         calculate D2E/DX2 analytically  !
 ! R84   R(45,63)                1.3996         calculate D2E/DX2 analytically  !
 ! R85   R(46,47)                1.418          calculate D2E/DX2 analytically  !
 ! R86   R(46,56)                1.3996         calculate D2E/DX2 analytically  !
 ! R87   R(47,59)                1.3976         calculate D2E/DX2 analytically  !
 ! R88   R(48,49)                1.4181         calculate D2E/DX2 analytically  !
 ! R89   R(48,68)                1.3976         calculate D2E/DX2 analytically  !
 ! R90   R(49,50)                1.448          calculate D2E/DX2 analytically  !
 ! R91   R(49,71)                1.3996         calculate D2E/DX2 analytically  !
 ! R92   R(50,51)                1.4181         calculate D2E/DX2 analytically  !
 ! R93   R(50,64)                1.3996         calculate D2E/DX2 analytically  !
 ! R94   R(51,67)                1.3976         calculate D2E/DX2 analytically  !
 ! R95   R(52,53)                1.4181         calculate D2E/DX2 analytically  !
 ! R96   R(52,76)                1.3976         calculate D2E/DX2 analytically  !
 ! R97   R(53,54)                1.448          calculate D2E/DX2 analytically  !
 ! R98   R(53,79)                1.3997         calculate D2E/DX2 analytically  !
 ! R99   R(54,55)                1.4182         calculate D2E/DX2 analytically  !
 ! R100  R(54,72)                1.3996         calculate D2E/DX2 analytically  !
 ! R101  R(55,75)                1.3976         calculate D2E/DX2 analytically  !
 ! R102  R(56,57)                1.3916         calculate D2E/DX2 analytically  !
 ! R103  R(56,109)               1.0863         calculate D2E/DX2 analytically  !
 ! R104  R(57,58)                1.4051         calculate D2E/DX2 analytically  !
 ! R105  R(57,110)               1.0856         calculate D2E/DX2 analytically  !
 ! R106  R(58,59)                1.3931         calculate D2E/DX2 analytically  !
 ! R107  R(58,111)               1.086          calculate D2E/DX2 analytically  !
 ! R108  R(59,112)               1.0842         calculate D2E/DX2 analytically  !
 ! R109  R(60,61)                1.3931         calculate D2E/DX2 analytically  !
 ! R110  R(60,113)               1.0842         calculate D2E/DX2 analytically  !
 ! R111  R(61,62)                1.4051         calculate D2E/DX2 analytically  !
 ! R112  R(61,114)               1.086          calculate D2E/DX2 analytically  !
 ! R113  R(62,63)                1.3916         calculate D2E/DX2 analytically  !
 ! R114  R(62,115)               1.0856         calculate D2E/DX2 analytically  !
 ! R115  R(63,116)               1.0863         calculate D2E/DX2 analytically  !
 ! R116  R(64,65)                1.3916         calculate D2E/DX2 analytically  !
 ! R117  R(64,117)               1.0863         calculate D2E/DX2 analytically  !
 ! R118  R(65,66)                1.4051         calculate D2E/DX2 analytically  !
 ! R119  R(65,118)               1.0856         calculate D2E/DX2 analytically  !
 ! R120  R(66,67)                1.3931         calculate D2E/DX2 analytically  !
 ! R121  R(66,119)               1.086          calculate D2E/DX2 analytically  !
 ! R122  R(67,120)               1.0842         calculate D2E/DX2 analytically  !
 ! R123  R(68,69)                1.3931         calculate D2E/DX2 analytically  !
 ! R124  R(68,121)               1.0842         calculate D2E/DX2 analytically  !
 ! R125  R(69,70)                1.4052         calculate D2E/DX2 analytically  !
 ! R126  R(69,122)               1.086          calculate D2E/DX2 analytically  !
 ! R127  R(70,71)                1.3916         calculate D2E/DX2 analytically  !
 ! R128  R(70,123)               1.0856         calculate D2E/DX2 analytically  !
 ! R129  R(71,124)               1.0863         calculate D2E/DX2 analytically  !
 ! R130  R(72,73)                1.3916         calculate D2E/DX2 analytically  !
 ! R131  R(72,125)               1.0863         calculate D2E/DX2 analytically  !
 ! R132  R(73,74)                1.4052         calculate D2E/DX2 analytically  !
 ! R133  R(73,126)               1.0856         calculate D2E/DX2 analytically  !
 ! R134  R(74,75)                1.3931         calculate D2E/DX2 analytically  !
 ! R135  R(74,127)               1.0861         calculate D2E/DX2 analytically  !
 ! R136  R(75,128)               1.0843         calculate D2E/DX2 analytically  !
 ! R137  R(76,77)                1.3931         calculate D2E/DX2 analytically  !
 ! R138  R(76,129)               1.0843         calculate D2E/DX2 analytically  !
 ! R139  R(77,78)                1.4052         calculate D2E/DX2 analytically  !
 ! R140  R(77,130)               1.086          calculate D2E/DX2 analytically  !
 ! R141  R(78,79)                1.3915         calculate D2E/DX2 analytically  !
 ! R142  R(78,131)               1.0856         calculate D2E/DX2 analytically  !
 ! R143  R(79,132)               1.0863         calculate D2E/DX2 analytically  !
 ! R144  R(80,81)                1.4739         calculate D2E/DX2 analytically  !
 ! R145  R(81,82)                1.604          calculate D2E/DX2 analytically  !
 ! R146  R(81,83)                1.6111         calculate D2E/DX2 analytically  !
 ! R147  R(82,84)                1.4627         calculate D2E/DX2 analytically  !
 ! R148  R(83,86)                1.4582         calculate D2E/DX2 analytically  !
 ! R149  R(84,85)                1.515          calculate D2E/DX2 analytically  !
 ! R150  R(84,133)               1.0927         calculate D2E/DX2 analytically  !
 ! R151  R(84,134)               1.0924         calculate D2E/DX2 analytically  !
 ! R152  R(85,135)               1.0945         calculate D2E/DX2 analytically  !
 ! R153  R(85,136)               1.0937         calculate D2E/DX2 analytically  !
 ! R154  R(85,137)               1.0935         calculate D2E/DX2 analytically  !
 ! R155  R(86,87)                1.5153         calculate D2E/DX2 analytically  !
 ! R156  R(86,138)               1.095          calculate D2E/DX2 analytically  !
 ! R157  R(86,139)               1.094          calculate D2E/DX2 analytically  !
 ! R158  R(87,140)               1.0934         calculate D2E/DX2 analytically  !
 ! R159  R(87,141)               1.0944         calculate D2E/DX2 analytically  !
 ! R160  R(87,142)               1.0933         calculate D2E/DX2 analytically  !
 ! R161  R(133,143)              3.0159         calculate D2E/DX2 analytically  !
 ! R162  R(134,143)              3.4049         calculate D2E/DX2 analytically  !
 ! A1    A(2,1,6)              118.2623         calculate D2E/DX2 analytically  !
 ! A2    A(2,1,23)             120.8359         calculate D2E/DX2 analytically  !
 ! A3    A(6,1,23)             120.9018         calculate D2E/DX2 analytically  !
 ! A4    A(1,2,3)              121.895          calculate D2E/DX2 analytically  !
 ! A5    A(1,2,88)             118.6363         calculate D2E/DX2 analytically  !
 ! A6    A(3,2,88)             119.4268         calculate D2E/DX2 analytically  !
 ! A7    A(2,3,4)              118.6866         calculate D2E/DX2 analytically  !
 ! A8    A(2,3,7)              122.9707         calculate D2E/DX2 analytically  !
 ! A9    A(4,3,7)              118.165          calculate D2E/DX2 analytically  !
 ! A10   A(3,4,5)              119.7847         calculate D2E/DX2 analytically  !
 ! A11   A(3,4,10)             120.0821         calculate D2E/DX2 analytically  !
 ! A12   A(5,4,10)             120.1057         calculate D2E/DX2 analytically  !
 ! A13   A(4,5,6)              120.6151         calculate D2E/DX2 analytically  !
 ! A14   A(4,5,89)             118.4086         calculate D2E/DX2 analytically  !
 ! A15   A(6,5,89)             120.9716         calculate D2E/DX2 analytically  !
 ! A16   A(1,6,5)              120.6697         calculate D2E/DX2 analytically  !
 ! A17   A(1,6,90)             119.6783         calculate D2E/DX2 analytically  !
 ! A18   A(5,6,90)             119.6511         calculate D2E/DX2 analytically  !
 ! A19   A(3,7,8)              119.9985         calculate D2E/DX2 analytically  !
 ! A20   A(3,7,11)             120.6778         calculate D2E/DX2 analytically  !
 ! A21   A(8,7,11)             118.9136         calculate D2E/DX2 analytically  !
 ! A22   A(7,8,9)              118.6363         calculate D2E/DX2 analytically  !
 ! A23   A(7,8,14)             118.5086         calculate D2E/DX2 analytically  !
 ! A24   A(9,8,14)             122.6184         calculate D2E/DX2 analytically  !
 ! A25   A(8,9,10)             110.6823         calculate D2E/DX2 analytically  !
 ! A26   A(8,9,15)             117.3154         calculate D2E/DX2 analytically  !
 ! A27   A(8,9,143)            107.1759         calculate D2E/DX2 analytically  !
 ! A28   A(10,9,15)            115.0927         calculate D2E/DX2 analytically  !
 ! A29   A(10,9,143)            97.5538         calculate D2E/DX2 analytically  !
 ! A30   A(4,10,9)             115.8372         calculate D2E/DX2 analytically  !
 ! A31   A(4,10,18)            119.4631         calculate D2E/DX2 analytically  !
 ! A32   A(9,10,18)            124.5564         calculate D2E/DX2 analytically  !
 ! A33   A(7,11,12)            122.4145         calculate D2E/DX2 analytically  !
 ! A34   A(7,11,91)            119.0176         calculate D2E/DX2 analytically  !
 ! A35   A(12,11,91)           118.4042         calculate D2E/DX2 analytically  !
 ! A36   A(11,12,13)           117.6415         calculate D2E/DX2 analytically  !
 ! A37   A(11,12,24)           120.8645         calculate D2E/DX2 analytically  !
 ! A38   A(13,12,24)           121.4541         calculate D2E/DX2 analytically  !
 ! A39   A(12,13,14)           120.8032         calculate D2E/DX2 analytically  !
 ! A40   A(12,13,92)           120.0073         calculate D2E/DX2 analytically  !
 ! A41   A(14,13,92)           119.1778         calculate D2E/DX2 analytically  !
 ! A42   A(8,14,13)            121.4155         calculate D2E/DX2 analytically  !
 ! A43   A(8,14,93)            120.3849         calculate D2E/DX2 analytically  !
 ! A44   A(13,14,93)           118.1814         calculate D2E/DX2 analytically  !
 ! A45   A(9,15,16)            119.3641         calculate D2E/DX2 analytically  !
 ! A46   A(9,15,81)            118.0665         calculate D2E/DX2 analytically  !
 ! A47   A(16,15,81)           119.4487         calculate D2E/DX2 analytically  !
 ! A48   A(16,15,143)          119.6859         calculate D2E/DX2 analytically  !
 ! A49   A(81,15,143)           89.6255         calculate D2E/DX2 analytically  !
 ! A50   A(15,16,17)           119.121          calculate D2E/DX2 analytically  !
 ! A51   A(15,16,19)           123.2403         calculate D2E/DX2 analytically  !
 ! A52   A(17,16,19)           117.5927         calculate D2E/DX2 analytically  !
 ! A53   A(16,17,18)           122.618          calculate D2E/DX2 analytically  !
 ! A54   A(16,17,22)           120.5214         calculate D2E/DX2 analytically  !
 ! A55   A(18,17,22)           116.8506         calculate D2E/DX2 analytically  !
 ! A56   A(10,18,17)           119.1498         calculate D2E/DX2 analytically  !
 ! A57   A(16,19,20)           120.8899         calculate D2E/DX2 analytically  !
 ! A58   A(16,19,94)           120.6793         calculate D2E/DX2 analytically  !
 ! A59   A(20,19,94)           118.4307         calculate D2E/DX2 analytically  !
 ! A60   A(19,20,21)           122.167          calculate D2E/DX2 analytically  !
 ! A61   A(19,20,95)           118.2343         calculate D2E/DX2 analytically  !
 ! A62   A(21,20,95)           119.5879         calculate D2E/DX2 analytically  !
 ! A63   A(20,21,22)           116.8021         calculate D2E/DX2 analytically  !
 ! A64   A(20,21,25)           121.5975         calculate D2E/DX2 analytically  !
 ! A65   A(22,21,25)           121.5996         calculate D2E/DX2 analytically  !
 ! A66   A(17,22,21)           122.0149         calculate D2E/DX2 analytically  !
 ! A67   A(17,22,96)           116.4506         calculate D2E/DX2 analytically  !
 ! A68   A(21,22,96)           121.5138         calculate D2E/DX2 analytically  !
 ! A69   A(1,23,31)            121.0004         calculate D2E/DX2 analytically  !
 ! A70   A(1,23,35)            121.2559         calculate D2E/DX2 analytically  !
 ! A71   A(31,23,35)           117.7437         calculate D2E/DX2 analytically  !
 ! A72   A(12,24,26)           121.2733         calculate D2E/DX2 analytically  !
 ! A73   A(12,24,30)           120.9305         calculate D2E/DX2 analytically  !
 ! A74   A(26,24,30)           117.7961         calculate D2E/DX2 analytically  !
 ! A75   A(21,25,36)           121.1898         calculate D2E/DX2 analytically  !
 ! A76   A(21,25,40)           121.0779         calculate D2E/DX2 analytically  !
 ! A77   A(36,25,40)           117.7322         calculate D2E/DX2 analytically  !
 ! A78   A(24,26,27)           121.2889         calculate D2E/DX2 analytically  !
 ! A79   A(24,26,97)           119.5615         calculate D2E/DX2 analytically  !
 ! A80   A(27,26,97)           119.0995         calculate D2E/DX2 analytically  !
 ! A81   A(26,27,28)           120.2213         calculate D2E/DX2 analytically  !
 ! A82   A(26,27,98)           120.3192         calculate D2E/DX2 analytically  !
 ! A83   A(28,27,98)           119.446          calculate D2E/DX2 analytically  !
 ! A84   A(27,28,29)           119.1781         calculate D2E/DX2 analytically  !
 ! A85   A(27,28,42)           120.3983         calculate D2E/DX2 analytically  !
 ! A86   A(29,28,42)           120.4236         calculate D2E/DX2 analytically  !
 ! A87   A(28,29,30)           120.1964         calculate D2E/DX2 analytically  !
 ! A88   A(28,29,99)           119.4657         calculate D2E/DX2 analytically  !
 ! A89   A(30,29,99)           120.3233         calculate D2E/DX2 analytically  !
 ! A90   A(24,30,29)           121.3097         calculate D2E/DX2 analytically  !
 ! A91   A(24,30,100)          119.4428         calculate D2E/DX2 analytically  !
 ! A92   A(29,30,100)          119.1936         calculate D2E/DX2 analytically  !
 ! A93   A(23,31,32)           121.3176         calculate D2E/DX2 analytically  !
 ! A94   A(23,31,101)          119.4932         calculate D2E/DX2 analytically  !
 ! A95   A(32,31,101)          119.1375         calculate D2E/DX2 analytically  !
 ! A96   A(31,32,33)           120.2201         calculate D2E/DX2 analytically  !
 ! A97   A(31,32,102)          120.3037         calculate D2E/DX2 analytically  !
 ! A98   A(33,32,102)          119.4625         calculate D2E/DX2 analytically  !
 ! A99   A(32,33,34)           119.1677         calculate D2E/DX2 analytically  !
 ! A100  A(32,33,41)           120.4343         calculate D2E/DX2 analytically  !
 ! A101  A(34,33,41)           120.398          calculate D2E/DX2 analytically  !
 ! A102  A(33,34,35)           120.2032         calculate D2E/DX2 analytically  !
 ! A103  A(33,34,103)          119.4527         calculate D2E/DX2 analytically  !
 ! A104  A(35,34,103)          120.3298         calculate D2E/DX2 analytically  !
 ! A105  A(23,35,34)           121.3385         calculate D2E/DX2 analytically  !
 ! A106  A(23,35,104)          119.5125         calculate D2E/DX2 analytically  !
 ! A107  A(34,35,104)          119.0978         calculate D2E/DX2 analytically  !
 ! A108  A(25,36,37)           121.3371         calculate D2E/DX2 analytically  !
 ! A109  A(25,36,105)          119.5694         calculate D2E/DX2 analytically  !
 ! A110  A(37,36,105)          119.0449         calculate D2E/DX2 analytically  !
 ! A111  A(36,37,38)           120.2124         calculate D2E/DX2 analytically  !
 ! A112  A(36,37,106)          120.3234         calculate D2E/DX2 analytically  !
 ! A113  A(38,37,106)          119.4503         calculate D2E/DX2 analytically  !
 ! A114  A(37,38,39)           119.1585         calculate D2E/DX2 analytically  !
 ! A115  A(37,38,43)           120.4136         calculate D2E/DX2 analytically  !
 ! A116  A(39,38,43)           120.4279         calculate D2E/DX2 analytically  !
 ! A117  A(38,39,40)           120.2234         calculate D2E/DX2 analytically  !
 ! A118  A(38,39,107)          119.4583         calculate D2E/DX2 analytically  !
 ! A119  A(40,39,107)          120.305          calculate D2E/DX2 analytically  !
 ! A120  A(25,40,39)           121.3296         calculate D2E/DX2 analytically  !
 ! A121  A(25,40,108)          119.488          calculate D2E/DX2 analytically  !
 ! A122  A(39,40,108)          119.1409         calculate D2E/DX2 analytically  !
 ! A123  A(33,41,48)           125.8242         calculate D2E/DX2 analytically  !
 ! A124  A(33,41,51)           125.8353         calculate D2E/DX2 analytically  !
 ! A125  A(48,41,51)           108.3403         calculate D2E/DX2 analytically  !
 ! A126  A(28,42,44)           125.8312         calculate D2E/DX2 analytically  !
 ! A127  A(28,42,47)           125.8297         calculate D2E/DX2 analytically  !
 ! A128  A(44,42,47)           108.3391         calculate D2E/DX2 analytically  !
 ! A129  A(38,43,52)           125.8276         calculate D2E/DX2 analytically  !
 ! A130  A(38,43,55)           125.8277         calculate D2E/DX2 analytically  !
 ! A131  A(52,43,55)           108.3447         calculate D2E/DX2 analytically  !
 ! A132  A(42,44,45)           108.9453         calculate D2E/DX2 analytically  !
 ! A133  A(42,44,60)           129.4743         calculate D2E/DX2 analytically  !
 ! A134  A(45,44,60)           121.5515         calculate D2E/DX2 analytically  !
 ! A135  A(44,45,46)           106.8855         calculate D2E/DX2 analytically  !
 ! A136  A(44,45,63)           119.5373         calculate D2E/DX2 analytically  !
 ! A137  A(46,45,63)           133.5735         calculate D2E/DX2 analytically  !
 ! A138  A(45,46,47)           106.884          calculate D2E/DX2 analytically  !
 ! A139  A(45,46,56)           133.5731         calculate D2E/DX2 analytically  !
 ! A140  A(47,46,56)           119.5393         calculate D2E/DX2 analytically  !
 ! A141  A(42,47,46)           108.9459         calculate D2E/DX2 analytically  !
 ! A142  A(42,47,59)           129.4802         calculate D2E/DX2 analytically  !
 ! A143  A(46,47,59)           121.5457         calculate D2E/DX2 analytically  !
 ! A144  A(41,48,49)           108.9492         calculate D2E/DX2 analytically  !
 ! A145  A(41,48,68)           129.4731         calculate D2E/DX2 analytically  !
 ! A146  A(49,48,68)           121.5493         calculate D2E/DX2 analytically  !
 ! A147  A(48,49,50)           106.8806         calculate D2E/DX2 analytically  !
 ! A148  A(48,49,71)           119.5381         calculate D2E/DX2 analytically  !
 ! A149  A(50,49,71)           133.5778         calculate D2E/DX2 analytically  !
 ! A150  A(49,50,51)           106.8834         calculate D2E/DX2 analytically  !
 ! A151  A(49,50,64)           133.5753         calculate D2E/DX2 analytically  !
 ! A152  A(51,50,64)           119.5378         calculate D2E/DX2 analytically  !
 ! A153  A(41,51,50)           108.9464         calculate D2E/DX2 analytically  !
 ! A154  A(41,51,67)           129.4768         calculate D2E/DX2 analytically  !
 ! A155  A(50,51,67)           121.5489         calculate D2E/DX2 analytically  !
 ! A156  A(43,52,53)           108.9563         calculate D2E/DX2 analytically  !
 ! A157  A(43,52,76)           129.4548         calculate D2E/DX2 analytically  !
 ! A158  A(53,52,76)           121.5625         calculate D2E/DX2 analytically  !
 ! A159  A(52,53,54)           106.8709         calculate D2E/DX2 analytically  !
 ! A160  A(52,53,79)           119.5303         calculate D2E/DX2 analytically  !
 ! A161  A(54,53,79)           133.5953         calculate D2E/DX2 analytically  !
 ! A162  A(53,54,55)           106.868          calculate D2E/DX2 analytically  !
 ! A163  A(53,54,72)           133.6001         calculate D2E/DX2 analytically  !
 ! A164  A(55,54,72)           119.5286         calculate D2E/DX2 analytically  !
 ! A165  A(43,55,54)           108.96           calculate D2E/DX2 analytically  !
 ! A166  A(43,55,75)           129.4623         calculate D2E/DX2 analytically  !
 ! A167  A(54,55,75)           121.5517         calculate D2E/DX2 analytically  !
 ! A168  A(46,56,57)           119.1657         calculate D2E/DX2 analytically  !
 ! A169  A(46,56,109)          120.3331         calculate D2E/DX2 analytically  !
 ! A170  A(57,56,109)          120.5006         calculate D2E/DX2 analytically  !
 ! A171  A(56,57,58)           120.5551         calculate D2E/DX2 analytically  !
 ! A172  A(56,57,110)          119.8589         calculate D2E/DX2 analytically  !
 ! A173  A(58,57,110)          119.5854         calculate D2E/DX2 analytically  !
 ! A174  A(57,58,59)           121.45           calculate D2E/DX2 analytically  !
 ! A175  A(57,58,111)          119.4658         calculate D2E/DX2 analytically  !
 ! A176  A(59,58,111)          119.084          calculate D2E/DX2 analytically  !
 ! A177  A(47,59,58)           117.735          calculate D2E/DX2 analytically  !
 ! A178  A(47,59,112)          121.3119         calculate D2E/DX2 analytically  !
 ! A179  A(58,59,112)          120.9519         calculate D2E/DX2 analytically  !
 ! A180  A(44,60,61)           117.7276         calculate D2E/DX2 analytically  !
 ! A181  A(44,60,113)          121.3156         calculate D2E/DX2 analytically  !
 ! A182  A(61,60,113)          120.9553         calculate D2E/DX2 analytically  !
 ! A183  A(60,61,62)           121.4543         calculate D2E/DX2 analytically  !
 ! A184  A(60,61,114)          119.076          calculate D2E/DX2 analytically  !
 ! A185  A(62,61,114)          119.4693         calculate D2E/DX2 analytically  !
 ! A186  A(61,62,63)           120.5551         calculate D2E/DX2 analytically  !
 ! A187  A(61,62,115)          119.5905         calculate D2E/DX2 analytically  !
 ! A188  A(63,62,115)          119.8536         calculate D2E/DX2 analytically  !
 ! A189  A(45,63,62)           119.1646         calculate D2E/DX2 analytically  !
 ! A190  A(45,63,116)          120.3332         calculate D2E/DX2 analytically  !
 ! A191  A(62,63,116)          120.5015         calculate D2E/DX2 analytically  !
 ! A192  A(50,64,65)           119.1658         calculate D2E/DX2 analytically  !
 ! A193  A(50,64,117)          120.3316         calculate D2E/DX2 analytically  !
 ! A194  A(65,64,117)          120.502          calculate D2E/DX2 analytically  !
 ! A195  A(64,65,66)           120.5541         calculate D2E/DX2 analytically  !
 ! A196  A(64,65,118)          119.856          calculate D2E/DX2 analytically  !
 ! A197  A(66,65,118)          119.5893         calculate D2E/DX2 analytically  !
 ! A198  A(65,66,67)           121.4546         calculate D2E/DX2 analytically  !
 ! A199  A(65,66,119)          119.4707         calculate D2E/DX2 analytically  !
 ! A200  A(67,66,119)          119.0744         calculate D2E/DX2 analytically  !
 ! A201  A(51,67,66)           117.7298         calculate D2E/DX2 analytically  !
 ! A202  A(51,67,120)          121.3139         calculate D2E/DX2 analytically  !
 ! A203  A(66,67,120)          120.9551         calculate D2E/DX2 analytically  !
 ! A204  A(48,68,69)           117.73           calculate D2E/DX2 analytically  !
 ! A205  A(48,68,121)          121.3118         calculate D2E/DX2 analytically  !
 ! A206  A(69,68,121)          120.9567         calculate D2E/DX2 analytically  !
 ! A207  A(68,69,70)           121.4532         calculate D2E/DX2 analytically  !
 ! A208  A(68,69,122)          119.0782         calculate D2E/DX2 analytically  !
 ! A209  A(70,69,122)          119.4682         calculate D2E/DX2 analytically  !
 ! A210  A(69,70,71)           120.5554         calculate D2E/DX2 analytically  !
 ! A211  A(69,70,123)          119.5863         calculate D2E/DX2 analytically  !
 ! A212  A(71,70,123)          119.8575         calculate D2E/DX2 analytically  !
 ! A213  A(49,71,70)           119.1647         calculate D2E/DX2 analytically  !
 ! A214  A(49,71,124)          120.3323         calculate D2E/DX2 analytically  !
 ! A215  A(70,71,124)          120.5023         calculate D2E/DX2 analytically  !
 ! A216  A(54,72,73)           119.1712         calculate D2E/DX2 analytically  !
 ! A217  A(54,72,125)          120.3314         calculate D2E/DX2 analytically  !
 ! A218  A(73,72,125)          120.4968         calculate D2E/DX2 analytically  !
 ! A219  A(72,73,74)           120.5553         calculate D2E/DX2 analytically  !
 ! A220  A(72,73,126)          119.8541         calculate D2E/DX2 analytically  !
 ! A221  A(74,73,126)          119.59           calculate D2E/DX2 analytically  !
 ! A222  A(73,74,75)           121.4523         calculate D2E/DX2 analytically  !
 ! A223  A(73,74,127)          119.463          calculate D2E/DX2 analytically  !
 ! A224  A(75,74,127)          119.0844         calculate D2E/DX2 analytically  !
 ! A225  A(55,75,74)           117.7324         calculate D2E/DX2 analytically  !
 ! A226  A(55,75,128)          121.2818         calculate D2E/DX2 analytically  !
 ! A227  A(74,75,128)          120.9847         calculate D2E/DX2 analytically  !
 ! A228  A(52,76,77)           117.7194         calculate D2E/DX2 analytically  !
 ! A229  A(52,76,129)          121.3048         calculate D2E/DX2 analytically  !
 ! A230  A(77,76,129)          120.9748         calculate D2E/DX2 analytically  !
 ! A231  A(76,77,78)           121.4576         calculate D2E/DX2 analytically  !
 ! A232  A(76,77,130)          119.0752         calculate D2E/DX2 analytically  !
 ! A233  A(78,77,130)          119.467          calculate D2E/DX2 analytically  !
 ! A234  A(77,78,79)           120.5595         calculate D2E/DX2 analytically  !
 ! A235  A(77,78,131)          119.5853         calculate D2E/DX2 analytically  !
 ! A236  A(79,78,131)          119.8545         calculate D2E/DX2 analytically  !
 ! A237  A(53,79,78)           119.1622         calculate D2E/DX2 analytically  !
 ! A238  A(53,79,132)          120.3354         calculate D2E/DX2 analytically  !
 ! A239  A(78,79,132)          120.5017         calculate D2E/DX2 analytically  !
 ! A240  A(15,81,80)           115.5855         calculate D2E/DX2 analytically  !
 ! A241  A(15,81,82)           105.7419         calculate D2E/DX2 analytically  !
 ! A242  A(15,81,83)            99.1518         calculate D2E/DX2 analytically  !
 ! A243  A(80,81,82)           116.1871         calculate D2E/DX2 analytically  !
 ! A244  A(80,81,83)           116.3609         calculate D2E/DX2 analytically  !
 ! A245  A(82,81,83)           101.5184         calculate D2E/DX2 analytically  !
 ! A246  A(81,82,84)           121.0785         calculate D2E/DX2 analytically  !
 ! A247  A(81,83,86)           118.1787         calculate D2E/DX2 analytically  !
 ! A248  A(82,84,85)           107.5151         calculate D2E/DX2 analytically  !
 ! A249  A(82,84,133)          107.8658         calculate D2E/DX2 analytically  !
 ! A250  A(82,84,134)          108.52           calculate D2E/DX2 analytically  !
 ! A251  A(85,84,133)          112.0216         calculate D2E/DX2 analytically  !
 ! A252  A(85,84,134)          112.3029         calculate D2E/DX2 analytically  !
 ! A253  A(133,84,134)         108.4657         calculate D2E/DX2 analytically  !
 ! A254  A(84,85,135)          109.4589         calculate D2E/DX2 analytically  !
 ! A255  A(84,85,136)          111.0266         calculate D2E/DX2 analytically  !
 ! A256  A(84,85,137)          110.9831         calculate D2E/DX2 analytically  !
 ! A257  A(135,85,136)         108.3424         calculate D2E/DX2 analytically  !
 ! A258  A(135,85,137)         108.326          calculate D2E/DX2 analytically  !
 ! A259  A(136,85,137)         108.6239         calculate D2E/DX2 analytically  !
 ! A260  A(83,86,87)           107.7906         calculate D2E/DX2 analytically  !
 ! A261  A(83,86,138)          108.3351         calculate D2E/DX2 analytically  !
 ! A262  A(83,86,139)          108.5277         calculate D2E/DX2 analytically  !
 ! A263  A(87,86,138)          111.5765         calculate D2E/DX2 analytically  !
 ! A264  A(87,86,139)          111.794          calculate D2E/DX2 analytically  !
 ! A265  A(138,86,139)         108.712          calculate D2E/DX2 analytically  !
 ! A266  A(86,87,140)          110.9875         calculate D2E/DX2 analytically  !
 ! A267  A(86,87,141)          109.6373         calculate D2E/DX2 analytically  !
 ! A268  A(86,87,142)          110.8435         calculate D2E/DX2 analytically  !
 ! A269  A(140,87,141)         108.4052         calculate D2E/DX2 analytically  !
 ! A270  A(140,87,142)         108.4751         calculate D2E/DX2 analytically  !
 ! A271  A(141,87,142)         108.4176         calculate D2E/DX2 analytically  !
 ! A272  A(84,133,143)         112.9384         calculate D2E/DX2 analytically  !
 ! A273  A(84,134,143)          90.5483         calculate D2E/DX2 analytically  !
 ! A274  A(9,143,133)           99.6207         calculate D2E/DX2 analytically  !
 ! A275  A(9,143,134)          103.5419         calculate D2E/DX2 analytically  !
 ! A276  A(15,143,133)          71.1371         calculate D2E/DX2 analytically  !
 ! A277  A(15,143,134)          76.4645         calculate D2E/DX2 analytically  !
 ! A278  A(133,143,134)         31.3172         calculate D2E/DX2 analytically  !
 ! D1    D(6,1,2,3)              0.6151         calculate D2E/DX2 analytically  !
 ! D2    D(6,1,2,88)           178.2472         calculate D2E/DX2 analytically  !
 ! D3    D(23,1,2,3)          -179.3798         calculate D2E/DX2 analytically  !
 ! D4    D(23,1,2,88)           -1.7477         calculate D2E/DX2 analytically  !
 ! D5    D(2,1,6,5)             -1.7646         calculate D2E/DX2 analytically  !
 ! D6    D(2,1,6,90)           177.8729         calculate D2E/DX2 analytically  !
 ! D7    D(23,1,6,5)           178.2303         calculate D2E/DX2 analytically  !
 ! D8    D(23,1,6,90)           -2.1322         calculate D2E/DX2 analytically  !
 ! D9    D(2,1,23,31)          142.9089         calculate D2E/DX2 analytically  !
 ! D10   D(2,1,23,35)          -37.1367         calculate D2E/DX2 analytically  !
 ! D11   D(6,1,23,31)          -37.0859         calculate D2E/DX2 analytically  !
 ! D12   D(6,1,23,35)          142.8685         calculate D2E/DX2 analytically  !
 ! D13   D(1,2,3,4)              1.9374         calculate D2E/DX2 analytically  !
 ! D14   D(1,2,3,7)           -173.1239         calculate D2E/DX2 analytically  !
 ! D15   D(88,2,3,4)          -175.6764         calculate D2E/DX2 analytically  !
 ! D16   D(88,2,3,7)             9.2622         calculate D2E/DX2 analytically  !
 ! D17   D(2,3,4,5)             -3.3735         calculate D2E/DX2 analytically  !
 ! D18   D(2,3,4,10)           174.7197         calculate D2E/DX2 analytically  !
 ! D19   D(7,3,4,5)            171.9272         calculate D2E/DX2 analytically  !
 ! D20   D(7,3,4,10)            -9.9795         calculate D2E/DX2 analytically  !
 ! D21   D(2,3,7,8)           -167.0051         calculate D2E/DX2 analytically  !
 ! D22   D(2,3,7,11)            20.424          calculate D2E/DX2 analytically  !
 ! D23   D(4,3,7,8)             17.9092         calculate D2E/DX2 analytically  !
 ! D24   D(4,3,7,11)          -154.6617         calculate D2E/DX2 analytically  !
 ! D25   D(3,4,5,6)              2.2924         calculate D2E/DX2 analytically  !
 ! D26   D(3,4,5,89)          -178.4876         calculate D2E/DX2 analytically  !
 ! D27   D(10,4,5,6)          -175.8004         calculate D2E/DX2 analytically  !
 ! D28   D(10,4,5,89)            3.4196         calculate D2E/DX2 analytically  !
 ! D29   D(3,4,10,9)           -22.2412         calculate D2E/DX2 analytically  !
 ! D30   D(3,4,10,18)          161.9134         calculate D2E/DX2 analytically  !
 ! D31   D(5,4,10,9)           155.8458         calculate D2E/DX2 analytically  !
 ! D32   D(5,4,10,18)          -19.9996         calculate D2E/DX2 analytically  !
 ! D33   D(4,5,6,1)              0.3224         calculate D2E/DX2 analytically  !
 ! D34   D(4,5,6,90)          -179.3152         calculate D2E/DX2 analytically  !
 ! D35   D(89,5,6,1)          -178.8774         calculate D2E/DX2 analytically  !
 ! D36   D(89,5,6,90)            1.485          calculate D2E/DX2 analytically  !
 ! D37   D(3,7,8,9)              7.469          calculate D2E/DX2 analytically  !
 ! D38   D(3,7,8,14)          -167.0895         calculate D2E/DX2 analytically  !
 ! D39   D(11,7,8,9)          -179.8295         calculate D2E/DX2 analytically  !
 ! D40   D(11,7,8,14)            5.612          calculate D2E/DX2 analytically  !
 ! D41   D(3,7,11,12)          171.0918         calculate D2E/DX2 analytically  !
 ! D42   D(3,7,11,91)           -4.1814         calculate D2E/DX2 analytically  !
 ! D43   D(8,7,11,12)           -1.5586         calculate D2E/DX2 analytically  !
 ! D44   D(8,7,11,91)         -176.8318         calculate D2E/DX2 analytically  !
 ! D45   D(7,8,9,10)           -37.7461         calculate D2E/DX2 analytically  !
 ! D46   D(7,8,9,15)          -172.589          calculate D2E/DX2 analytically  !
 ! D47   D(7,8,9,143)           67.5471         calculate D2E/DX2 analytically  !
 ! D48   D(14,8,9,10)          136.576          calculate D2E/DX2 analytically  !
 ! D49   D(14,8,9,15)            1.733          calculate D2E/DX2 analytically  !
 ! D50   D(14,8,9,143)        -118.1308         calculate D2E/DX2 analytically  !
 ! D51   D(7,8,14,13)           -5.4151         calculate D2E/DX2 analytically  !
 ! D52   D(7,8,14,93)          173.0073         calculate D2E/DX2 analytically  !
 ! D53   D(9,8,14,13)         -179.7441         calculate D2E/DX2 analytically  !
 ! D54   D(9,8,14,93)           -1.3217         calculate D2E/DX2 analytically  !
 ! D55   D(8,9,10,4)            44.7425         calculate D2E/DX2 analytically  !
 ! D56   D(8,9,10,18)         -139.6502         calculate D2E/DX2 analytically  !
 ! D57   D(15,9,10,4)         -179.3351         calculate D2E/DX2 analytically  !
 ! D58   D(15,9,10,18)          -3.7278         calculate D2E/DX2 analytically  !
 ! D59   D(143,9,10,4)         -66.879          calculate D2E/DX2 analytically  !
 ! D60   D(143,9,10,18)        108.7283         calculate D2E/DX2 analytically  !
 ! D61   D(8,9,15,16)          136.1518         calculate D2E/DX2 analytically  !
 ! D62   D(8,9,15,81)          -63.9131         calculate D2E/DX2 analytically  !
 ! D63   D(10,9,15,16)           3.2462         calculate D2E/DX2 analytically  !
 ! D64   D(10,9,15,81)         163.1813         calculate D2E/DX2 analytically  !
 ! D65   D(8,9,143,133)        136.9553         calculate D2E/DX2 analytically  !
 ! D66   D(8,9,143,134)        105.215          calculate D2E/DX2 analytically  !
 ! D67   D(10,9,143,133)      -108.5949         calculate D2E/DX2 analytically  !
 ! D68   D(10,9,143,134)      -140.3352         calculate D2E/DX2 analytically  !
 ! D69   D(4,10,18,17)         177.7861         calculate D2E/DX2 analytically  !
 ! D70   D(9,10,18,17)           2.3272         calculate D2E/DX2 analytically  !
 ! D71   D(7,11,12,13)          -2.8168         calculate D2E/DX2 analytically  !
 ! D72   D(7,11,12,24)         179.4481         calculate D2E/DX2 analytically  !
 ! D73   D(91,11,12,13)        172.4841         calculate D2E/DX2 analytically  !
 ! D74   D(91,11,12,24)         -5.251          calculate D2E/DX2 analytically  !
 ! D75   D(11,12,13,14)          3.1131         calculate D2E/DX2 analytically  !
 ! D76   D(11,12,13,92)       -178.1389         calculate D2E/DX2 analytically  !
 ! D77   D(24,12,13,14)       -179.166          calculate D2E/DX2 analytically  !
 ! D78   D(24,12,13,92)         -0.418          calculate D2E/DX2 analytically  !
 ! D79   D(11,12,24,26)        142.05           calculate D2E/DX2 analytically  !
 ! D80   D(11,12,24,30)        -38.0344         calculate D2E/DX2 analytically  !
 ! D81   D(13,12,24,26)        -35.5979         calculate D2E/DX2 analytically  !
 ! D82   D(13,12,24,30)        144.3177         calculate D2E/DX2 analytically  !
 ! D83   D(12,13,14,8)           1.0023         calculate D2E/DX2 analytically  !
 ! D84   D(12,13,14,93)       -177.4538         calculate D2E/DX2 analytically  !
 ! D85   D(92,13,14,8)        -177.756          calculate D2E/DX2 analytically  !
 ! D86   D(92,13,14,93)          3.7879         calculate D2E/DX2 analytically  !
 ! D87   D(9,15,16,17)          -1.7701         calculate D2E/DX2 analytically  !
 ! D88   D(9,15,16,19)        -179.24           calculate D2E/DX2 analytically  !
 ! D89   D(81,15,16,17)       -161.426          calculate D2E/DX2 analytically  !
 ! D90   D(81,15,16,19)         21.1041         calculate D2E/DX2 analytically  !
 ! D91   D(143,15,16,17)       -53.1729         calculate D2E/DX2 analytically  !
 ! D92   D(143,15,16,19)       129.3572         calculate D2E/DX2 analytically  !
 ! D93   D(9,15,81,80)           7.8723         calculate D2E/DX2 analytically  !
 ! D94   D(9,15,81,82)        -122.167          calculate D2E/DX2 analytically  !
 ! D95   D(9,15,81,83)         133.0268         calculate D2E/DX2 analytically  !
 ! D96   D(16,15,81,80)        167.79           calculate D2E/DX2 analytically  !
 ! D97   D(16,15,81,82)         37.7506         calculate D2E/DX2 analytically  !
 ! D98   D(16,15,81,83)        -67.0555         calculate D2E/DX2 analytically  !
 ! D99   D(143,15,81,80)        43.3843         calculate D2E/DX2 analytically  !
 ! D100  D(143,15,81,82)       -86.6551         calculate D2E/DX2 analytically  !
 ! D101  D(143,15,81,83)       168.5388         calculate D2E/DX2 analytically  !
 ! D102  D(16,15,143,133)      -66.0885         calculate D2E/DX2 analytically  !
 ! D103  D(16,15,143,134)      -98.2736         calculate D2E/DX2 analytically  !
 ! D104  D(81,15,143,133)       58.12           calculate D2E/DX2 analytically  !
 ! D105  D(81,15,143,134)       25.9348         calculate D2E/DX2 analytically  !
 ! D106  D(15,16,17,18)          0.2186         calculate D2E/DX2 analytically  !
 ! D107  D(15,16,17,22)       -178.5928         calculate D2E/DX2 analytically  !
 ! D108  D(19,16,17,18)        177.831          calculate D2E/DX2 analytically  !
 ! D109  D(19,16,17,22)         -0.9804         calculate D2E/DX2 analytically  !
 ! D110  D(15,16,19,20)        178.7131         calculate D2E/DX2 analytically  !
 ! D111  D(15,16,19,94)         -1.1471         calculate D2E/DX2 analytically  !
 ! D112  D(17,16,19,20)          1.207          calculate D2E/DX2 analytically  !
 ! D113  D(17,16,19,94)       -178.6531         calculate D2E/DX2 analytically  !
 ! D114  D(16,17,18,10)         -0.4933         calculate D2E/DX2 analytically  !
 ! D115  D(22,17,18,10)        178.3591         calculate D2E/DX2 analytically  !
 ! D116  D(16,17,22,21)          0.0616         calculate D2E/DX2 analytically  !
 ! D117  D(16,17,22,96)        178.4309         calculate D2E/DX2 analytically  !
 ! D118  D(18,17,22,21)       -178.8163         calculate D2E/DX2 analytically  !
 ! D119  D(18,17,22,96)         -0.447          calculate D2E/DX2 analytically  !
 ! D120  D(16,19,20,21)         -0.528          calculate D2E/DX2 analytically  !
 ! D121  D(16,19,20,95)        178.2691         calculate D2E/DX2 analytically  !
 ! D122  D(94,19,20,21)        179.3352         calculate D2E/DX2 analytically  !
 ! D123  D(94,19,20,95)         -1.8677         calculate D2E/DX2 analytically  !
 ! D124  D(19,20,21,22)         -0.4061         calculate D2E/DX2 analytically  !
 ! D125  D(19,20,21,25)        179.91           calculate D2E/DX2 analytically  !
 ! D126  D(95,20,21,22)       -179.1873         calculate D2E/DX2 analytically  !
 ! D127  D(95,20,21,25)          1.1288         calculate D2E/DX2 analytically  !
 ! D128  D(20,21,22,17)          0.6332         calculate D2E/DX2 analytically  !
 ! D129  D(20,21,22,96)       -177.6542         calculate D2E/DX2 analytically  !
 ! D130  D(25,21,22,17)       -179.6829         calculate D2E/DX2 analytically  !
 ! D131  D(25,21,22,96)          2.0297         calculate D2E/DX2 analytically  !
 ! D132  D(20,21,25,36)         35.2893         calculate D2E/DX2 analytically  !
 ! D133  D(20,21,25,40)       -144.744          calculate D2E/DX2 analytically  !
 ! D134  D(22,21,25,36)       -144.3795         calculate D2E/DX2 analytically  !
 ! D135  D(22,21,25,40)         35.5872         calculate D2E/DX2 analytically  !
 ! D136  D(1,23,31,32)        -179.495          calculate D2E/DX2 analytically  !
 ! D137  D(1,23,31,101)         -2.1323         calculate D2E/DX2 analytically  !
 ! D138  D(35,23,31,32)          0.5491         calculate D2E/DX2 analytically  !
 ! D139  D(35,23,31,101)       177.9118         calculate D2E/DX2 analytically  !
 ! D140  D(1,23,35,34)        -179.5964         calculate D2E/DX2 analytically  !
 ! D141  D(1,23,35,104)         -2.2248         calculate D2E/DX2 analytically  !
 ! D142  D(31,23,35,34)          0.3594         calculate D2E/DX2 analytically  !
 ! D143  D(31,23,35,104)       177.731          calculate D2E/DX2 analytically  !
 ! D144  D(12,24,26,27)       -179.5733         calculate D2E/DX2 analytically  !
 ! D145  D(12,24,26,97)         -2.172          calculate D2E/DX2 analytically  !
 ! D146  D(30,24,26,27)          0.5085         calculate D2E/DX2 analytically  !
 ! D147  D(30,24,26,97)        177.9098         calculate D2E/DX2 analytically  !
 ! D148  D(12,24,30,29)       -179.5043         calculate D2E/DX2 analytically  !
 ! D149  D(12,24,30,100)        -2.1954         calculate D2E/DX2 analytically  !
 ! D150  D(26,24,30,29)          0.4141         calculate D2E/DX2 analytically  !
 ! D151  D(26,24,30,100)       177.7231         calculate D2E/DX2 analytically  !
 ! D152  D(21,25,36,37)        179.5556         calculate D2E/DX2 analytically  !
 ! D153  D(21,25,36,105)         2.1146         calculate D2E/DX2 analytically  !
 ! D154  D(40,25,36,37)         -0.4122         calculate D2E/DX2 analytically  !
 ! D155  D(40,25,36,105)      -177.8532         calculate D2E/DX2 analytically  !
 ! D156  D(21,25,40,39)        179.6685         calculate D2E/DX2 analytically  !
 ! D157  D(21,25,40,108)         2.0303         calculate D2E/DX2 analytically  !
 ! D158  D(36,25,40,39)         -0.3637         calculate D2E/DX2 analytically  !
 ! D159  D(36,25,40,108)      -178.0019         calculate D2E/DX2 analytically  !
 ! D160  D(24,26,27,28)         -0.9386         calculate D2E/DX2 analytically  !
 ! D161  D(24,26,27,98)        177.7187         calculate D2E/DX2 analytically  !
 ! D162  D(97,26,27,28)       -178.3517         calculate D2E/DX2 analytically  !
 ! D163  D(97,26,27,98)          0.3056         calculate D2E/DX2 analytically  !
 ! D164  D(26,27,28,29)          0.4385         calculate D2E/DX2 analytically  !
 ! D165  D(26,27,28,42)       -179.5577         calculate D2E/DX2 analytically  !
 ! D166  D(98,27,28,29)       -178.2305         calculate D2E/DX2 analytically  !
 ! D167  D(98,27,28,42)          1.7732         calculate D2E/DX2 analytically  !
 ! D168  D(27,28,29,30)          0.47           calculate D2E/DX2 analytically  !
 ! D169  D(27,28,29,99)       -178.1458         calculate D2E/DX2 analytically  !
 ! D170  D(42,28,29,30)       -179.5337         calculate D2E/DX2 analytically  !
 ! D171  D(42,28,29,99)          1.8504         calculate D2E/DX2 analytically  !
 ! D172  D(27,28,42,44)         53.8567         calculate D2E/DX2 analytically  !
 ! D173  D(27,28,42,47)       -126.0595         calculate D2E/DX2 analytically  !
 ! D174  D(29,28,42,44)       -126.1396         calculate D2E/DX2 analytically  !
 ! D175  D(29,28,42,47)         53.9443         calculate D2E/DX2 analytically  !
 ! D176  D(28,29,30,24)         -0.9058         calculate D2E/DX2 analytically  !
 ! D177  D(28,29,30,100)      -178.2213         calculate D2E/DX2 analytically  !
 ! D178  D(99,29,30,24)        177.6981         calculate D2E/DX2 analytically  !
 ! D179  D(99,29,30,100)         0.3826         calculate D2E/DX2 analytically  !
 ! D180  D(23,31,32,33)         -0.9484         calculate D2E/DX2 analytically  !
 ! D181  D(23,31,32,102)       177.6991         calculate D2E/DX2 analytically  !
 ! D182  D(101,31,32,33)      -178.3202         calculate D2E/DX2 analytically  !
 ! D183  D(101,31,32,102)        0.3273         calculate D2E/DX2 analytically  !
 ! D184  D(31,32,33,34)          0.4298         calculate D2E/DX2 analytically  !
 ! D185  D(31,32,33,41)       -179.523          calculate D2E/DX2 analytically  !
 ! D186  D(102,32,33,34)      -178.2291         calculate D2E/DX2 analytically  !
 ! D187  D(102,32,33,41)         1.8181         calculate D2E/DX2 analytically  !
 ! D188  D(32,33,34,35)          0.4646         calculate D2E/DX2 analytically  !
 ! D189  D(32,33,34,103)      -178.1599         calculate D2E/DX2 analytically  !
 ! D190  D(41,33,34,35)       -179.5826         calculate D2E/DX2 analytically  !
 ! D191  D(41,33,34,103)         1.7929         calculate D2E/DX2 analytically  !
 ! D192  D(32,33,41,48)       -126.1176         calculate D2E/DX2 analytically  !
 ! D193  D(32,33,41,51)         54.0555         calculate D2E/DX2 analytically  !
 ! D194  D(34,33,41,48)         53.9302         calculate D2E/DX2 analytically  !
 ! D195  D(34,33,41,51)       -125.8968         calculate D2E/DX2 analytically  !
 ! D196  D(33,34,35,23)         -0.8679         calculate D2E/DX2 analytically  !
 ! D197  D(33,34,35,104)      -178.2502         calculate D2E/DX2 analytically  !
 ! D198  D(103,34,35,23)       177.7444         calculate D2E/DX2 analytically  !
 ! D199  D(103,34,35,104)        0.3622         calculate D2E/DX2 analytically  !
 ! D200  D(25,36,37,38)          0.7988         calculate D2E/DX2 analytically  !
 ! D201  D(25,36,37,106)      -177.8359         calculate D2E/DX2 analytically  !
 ! D202  D(105,36,37,38)       178.2529         calculate D2E/DX2 analytically  !
 ! D203  D(105,36,37,106)       -0.3818         calculate D2E/DX2 analytically  !
 ! D204  D(36,37,38,39)         -0.4027         calculate D2E/DX2 analytically  !
 ! D205  D(36,37,38,43)        179.5987         calculate D2E/DX2 analytically  !
 ! D206  D(106,37,38,39)       178.2439         calculate D2E/DX2 analytically  !
 ! D207  D(106,37,38,43)        -1.7547         calculate D2E/DX2 analytically  !
 ! D208  D(37,38,39,40)         -0.3611         calculate D2E/DX2 analytically  !
 ! D209  D(37,38,39,107)       178.3153         calculate D2E/DX2 analytically  !
 ! D210  D(43,38,39,40)        179.6375         calculate D2E/DX2 analytically  !
 ! D211  D(43,38,39,107)        -1.6861         calculate D2E/DX2 analytically  !
 ! D212  D(37,38,43,52)        125.5122         calculate D2E/DX2 analytically  !
 ! D213  D(37,38,43,55)        -54.5282         calculate D2E/DX2 analytically  !
 ! D214  D(39,38,43,52)        -54.4863         calculate D2E/DX2 analytically  !
 ! D215  D(39,38,43,55)        125.4732         calculate D2E/DX2 analytically  !
 ! D216  D(38,39,40,25)          0.7526         calculate D2E/DX2 analytically  !
 ! D217  D(38,39,40,108)       178.3989         calculate D2E/DX2 analytically  !
 ! D218  D(107,39,40,25)      -177.9125         calculate D2E/DX2 analytically  !
 ! D219  D(107,39,40,108)       -0.2663         calculate D2E/DX2 analytically  !
 ! D220  D(33,41,48,49)       -179.8938         calculate D2E/DX2 analytically  !
 ! D221  D(33,41,48,68)          2.0539         calculate D2E/DX2 analytically  !
 ! D222  D(51,41,48,49)         -0.0417         calculate D2E/DX2 analytically  !
 ! D223  D(51,41,48,68)       -178.094          calculate D2E/DX2 analytically  !
 ! D224  D(33,41,51,50)        179.8108         calculate D2E/DX2 analytically  !
 ! D225  D(33,41,51,67)          1.744          calculate D2E/DX2 analytically  !
 ! D226  D(48,41,51,50)         -0.0414         calculate D2E/DX2 analytically  !
 ! D227  D(48,41,51,67)       -178.1081         calculate D2E/DX2 analytically  !
 ! D228  D(28,42,44,45)       -179.9592         calculate D2E/DX2 analytically  !
 ! D229  D(28,42,44,60)          2.006          calculate D2E/DX2 analytically  !
 ! D230  D(47,42,44,45)         -0.0308         calculate D2E/DX2 analytically  !
 ! D231  D(47,42,44,60)       -178.0656         calculate D2E/DX2 analytically  !
 ! D232  D(28,42,47,46)        179.8746         calculate D2E/DX2 analytically  !
 ! D233  D(28,42,47,59)          1.8161         calculate D2E/DX2 analytically  !
 ! D234  D(44,42,47,46)         -0.0538         calculate D2E/DX2 analytically  !
 ! D235  D(44,42,47,59)       -178.1123         calculate D2E/DX2 analytically  !
 ! D236  D(38,43,52,53)       -179.9952         calculate D2E/DX2 analytically  !
 ! D237  D(38,43,52,76)         -1.8727         calculate D2E/DX2 analytically  !
 ! D238  D(55,43,52,53)          0.0394         calculate D2E/DX2 analytically  !
 ! D239  D(55,43,52,76)        178.1619         calculate D2E/DX2 analytically  !
 ! D240  D(38,43,55,54)       -179.924          calculate D2E/DX2 analytically  !
 ! D241  D(38,43,55,75)         -1.7859         calculate D2E/DX2 analytically  !
 ! D242  D(52,43,55,54)          0.0414         calculate D2E/DX2 analytically  !
 ! D243  D(52,43,55,75)        178.1796         calculate D2E/DX2 analytically  !
 ! D244  D(42,44,45,46)          0.1008         calculate D2E/DX2 analytically  !
 ! D245  D(42,44,45,63)       -179.2905         calculate D2E/DX2 analytically  !
 ! D246  D(60,44,45,46)        178.3207         calculate D2E/DX2 analytically  !
 ! D247  D(60,44,45,63)         -1.0705         calculate D2E/DX2 analytically  !
 ! D248  D(42,44,60,61)        178.8389         calculate D2E/DX2 analytically  !
 ! D249  D(42,44,60,113)        -0.7215         calculate D2E/DX2 analytically  !
 ! D250  D(45,44,60,61)          1.0201         calculate D2E/DX2 analytically  !
 ! D251  D(45,44,60,113)      -178.5402         calculate D2E/DX2 analytically  !
 ! D252  D(44,45,46,47)         -0.1312         calculate D2E/DX2 analytically  !
 ! D253  D(44,45,46,56)        179.1594         calculate D2E/DX2 analytically  !
 ! D254  D(63,45,46,47)        179.1377         calculate D2E/DX2 analytically  !
 ! D255  D(63,45,46,56)         -1.5716         calculate D2E/DX2 analytically  !
 ! D256  D(44,45,63,62)          0.3385         calculate D2E/DX2 analytically  !
 ! D257  D(44,45,63,116)      -179.9619         calculate D2E/DX2 analytically  !
 ! D258  D(46,45,63,62)       -178.8575         calculate D2E/DX2 analytically  !
 ! D259  D(46,45,63,116)         0.8421         calculate D2E/DX2 analytically  !
 ! D260  D(45,46,47,42)          0.1148         calculate D2E/DX2 analytically  !
 ! D261  D(45,46,47,59)        178.3565         calculate D2E/DX2 analytically  !
 ! D262  D(56,46,47,42)       -179.2945         calculate D2E/DX2 analytically  !
 ! D263  D(56,46,47,59)         -1.0528         calculate D2E/DX2 analytically  !
 ! D264  D(45,46,56,57)       -178.8884         calculate D2E/DX2 analytically  !
 ! D265  D(45,46,56,109)         0.8259         calculate D2E/DX2 analytically  !
 ! D266  D(47,46,56,57)          0.3315         calculate D2E/DX2 analytically  !
 ! D267  D(47,46,56,109)      -179.9543         calculate D2E/DX2 analytically  !
 ! D268  D(42,47,59,58)        178.8528         calculate D2E/DX2 analytically  !
 ! D269  D(42,47,59,112)        -0.755          calculate D2E/DX2 analytically  !
 ! D270  D(46,47,59,58)          1.0076         calculate D2E/DX2 analytically  !
 ! D271  D(46,47,59,112)      -178.6001         calculate D2E/DX2 analytically  !
 ! D272  D(41,48,49,50)          0.1058         calculate D2E/DX2 analytically  !
 ! D273  D(41,48,49,71)       -179.2963         calculate D2E/DX2 analytically  !
 ! D274  D(68,48,49,50)        178.3417         calculate D2E/DX2 analytically  !
 ! D275  D(68,48,49,71)         -1.0605         calculate D2E/DX2 analytically  !
 ! D276  D(41,48,68,69)        178.8501         calculate D2E/DX2 analytically  !
 ! D277  D(41,48,68,121)        -0.7119         calculate D2E/DX2 analytically  !
 ! D278  D(49,48,68,69)          1.0119         calculate D2E/DX2 analytically  !
 ! D279  D(49,48,68,121)      -178.5501         calculate D2E/DX2 analytically  !
 ! D280  D(48,49,50,51)         -0.1287         calculate D2E/DX2 analytically  !
 ! D281  D(48,49,50,64)        179.1549         calculate D2E/DX2 analytically  !
 ! D282  D(71,49,50,51)        179.1533         calculate D2E/DX2 analytically  !
 ! D283  D(71,49,50,64)         -1.5631         calculate D2E/DX2 analytically  !
 ! D284  D(48,49,71,70)          0.3337         calculate D2E/DX2 analytically  !
 ! D285  D(48,49,71,124)      -179.9616         calculate D2E/DX2 analytically  !
 ! D286  D(50,49,71,70)       -178.8766         calculate D2E/DX2 analytically  !
 ! D287  D(50,49,71,124)         0.8281         calculate D2E/DX2 analytically  !
 ! D288  D(49,50,51,41)          0.1057         calculate D2E/DX2 analytically  !
 ! D289  D(49,50,51,67)        178.3547         calculate D2E/DX2 analytically  !
 ! D290  D(64,50,51,41)       -179.2978         calculate D2E/DX2 analytically  !
 ! D291  D(64,50,51,67)         -1.0488         calculate D2E/DX2 analytically  !
 ! D292  D(49,50,64,65)       -178.8771         calculate D2E/DX2 analytically  !
 ! D293  D(49,50,64,117)         0.8333         calculate D2E/DX2 analytically  !
 ! D294  D(51,50,64,65)          0.335          calculate D2E/DX2 analytically  !
 ! D295  D(51,50,64,117)      -179.9546         calculate D2E/DX2 analytically  !
 ! D296  D(41,51,67,66)        178.8532         calculate D2E/DX2 analytically  !
 ! D297  D(41,51,67,120)        -0.7609         calculate D2E/DX2 analytically  !
 ! D298  D(50,51,67,66)          0.9989         calculate D2E/DX2 analytically  !
 ! D299  D(50,51,67,120)      -178.6151         calculate D2E/DX2 analytically  !
 ! D300  D(43,52,53,54)         -0.1023         calculate D2E/DX2 analytically  !
 ! D301  D(43,52,53,79)        179.3111         calculate D2E/DX2 analytically  !
 ! D302  D(76,52,53,54)       -178.401          calculate D2E/DX2 analytically  !
 ! D303  D(76,52,53,79)          1.0124         calculate D2E/DX2 analytically  !
 ! D304  D(43,52,76,77)       -178.8799         calculate D2E/DX2 analytically  !
 ! D305  D(43,52,76,129)         0.7404         calculate D2E/DX2 analytically  !
 ! D306  D(53,52,76,77)         -0.964          calculate D2E/DX2 analytically  !
 ! D307  D(53,52,76,129)       178.6564         calculate D2E/DX2 analytically  !
 ! D308  D(52,53,54,55)          0.1253         calculate D2E/DX2 analytically  !
 ! D309  D(52,53,54,72)       -179.1861         calculate D2E/DX2 analytically  !
 ! D310  D(79,53,54,55)       -179.17           calculate D2E/DX2 analytically  !
 ! D311  D(79,53,54,72)          1.5186         calculate D2E/DX2 analytically  !
 ! D312  D(52,53,79,78)         -0.323          calculate D2E/DX2 analytically  !
 ! D313  D(52,53,79,132)       179.9598         calculate D2E/DX2 analytically  !
 ! D314  D(54,53,79,78)        178.9019         calculate D2E/DX2 analytically  !
 ! D315  D(54,53,79,132)        -0.8153         calculate D2E/DX2 analytically  !
 ! D316  D(53,54,55,43)         -0.1036         calculate D2E/DX2 analytically  !
 ! D317  D(53,54,55,75)       -178.4168         calculate D2E/DX2 analytically  !
 ! D318  D(72,54,55,43)        179.3234         calculate D2E/DX2 analytically  !
 ! D319  D(72,54,55,75)          1.0101         calculate D2E/DX2 analytically  !
 ! D320  D(53,54,72,73)        178.9205         calculate D2E/DX2 analytically  !
 ! D321  D(53,54,72,125)        -0.7961         calculate D2E/DX2 analytically  !
 ! D322  D(55,54,72,73)         -0.3221         calculate D2E/DX2 analytically  !
 ! D323  D(55,54,72,125)       179.9613         calculate D2E/DX2 analytically  !
 ! D324  D(43,55,75,74)       -178.8955         calculate D2E/DX2 analytically  !
 ! D325  D(43,55,75,128)         0.7262         calculate D2E/DX2 analytically  !
 ! D326  D(54,55,75,74)         -0.9619         calculate D2E/DX2 analytically  !
 ! D327  D(54,55,75,128)       178.6598         calculate D2E/DX2 analytically  !
 ! D328  D(46,56,57,58)          0.3863         calculate D2E/DX2 analytically  !
 ! D329  D(46,56,57,110)      -179.908          calculate D2E/DX2 analytically  !
 ! D330  D(109,56,57,58)      -179.3274         calculate D2E/DX2 analytically  !
 ! D331  D(109,56,57,110)        0.3783         calculate D2E/DX2 analytically  !
 ! D332  D(56,57,58,59)         -0.4234         calculate D2E/DX2 analytically  !
 ! D333  D(56,57,58,111)       179.3945         calculate D2E/DX2 analytically  !
 ! D334  D(110,57,58,59)       179.8702         calculate D2E/DX2 analytically  !
 ! D335  D(110,57,58,111)       -0.312          calculate D2E/DX2 analytically  !
 ! D336  D(57,58,59,47)         -0.2731         calculate D2E/DX2 analytically  !
 ! D337  D(57,58,59,112)       179.3361         calculate D2E/DX2 analytically  !
 ! D338  D(111,58,59,47)       179.9084         calculate D2E/DX2 analytically  !
 ! D339  D(111,58,59,112)       -0.4824         calculate D2E/DX2 analytically  !
 ! D340  D(44,60,61,62)         -0.2702         calculate D2E/DX2 analytically  !
 ! D341  D(44,60,61,114)       179.9375         calculate D2E/DX2 analytically  !
 ! D342  D(113,60,61,62)       179.2918         calculate D2E/DX2 analytically  !
 ! D343  D(113,60,61,114)       -0.5005         calculate D2E/DX2 analytically  !
 ! D344  D(60,61,62,63)         -0.4366         calculate D2E/DX2 analytically  !
 ! D345  D(60,61,62,115)       179.8831         calculate D2E/DX2 analytically  !
 ! D346  D(114,61,62,63)       179.3549         calculate D2E/DX2 analytically  !
 ! D347  D(114,61,62,115)       -0.3253         calculate D2E/DX2 analytically  !
 ! D348  D(61,62,63,45)          0.3943         calculate D2E/DX2 analytically  !
 ! D349  D(61,62,63,116)      -179.3048         calculate D2E/DX2 analytically  !
 ! D350  D(115,62,63,45)      -179.9263         calculate D2E/DX2 analytically  !
 ! D351  D(115,62,63,116)        0.3746         calculate D2E/DX2 analytically  !
 ! D352  D(50,64,65,66)          0.3801         calculate D2E/DX2 analytically  !
 ! D353  D(50,64,65,118)      -179.913          calculate D2E/DX2 analytically  !
 ! D354  D(117,64,65,66)      -179.3298         calculate D2E/DX2 analytically  !
 ! D355  D(117,64,65,118)        0.3771         calculate D2E/DX2 analytically  !
 ! D356  D(64,65,66,67)         -0.422          calculate D2E/DX2 analytically  !
 ! D357  D(64,65,66,119)       179.3969         calculate D2E/DX2 analytically  !
 ! D358  D(118,65,66,67)       179.8703         calculate D2E/DX2 analytically  !
 ! D359  D(118,65,66,119)       -0.3108         calculate D2E/DX2 analytically  !
 ! D360  D(65,66,67,51)         -0.267          calculate D2E/DX2 analytically  !
 ! D361  D(65,66,67,120)       179.3485         calculate D2E/DX2 analytically  !
 ! D362  D(119,66,67,51)       179.9134         calculate D2E/DX2 analytically  !
 ! D363  D(119,66,67,120)       -0.4711         calculate D2E/DX2 analytically  !
 ! D364  D(48,68,69,70)         -0.2686         calculate D2E/DX2 analytically  !
 ! D365  D(48,68,69,122)       179.9389         calculate D2E/DX2 analytically  !
 ! D366  D(121,68,69,70)       179.295          calculate D2E/DX2 analytically  !
 ! D367  D(121,68,69,122)       -0.4974         calculate D2E/DX2 analytically  !
 ! D368  D(68,69,70,71)         -0.4332         calculate D2E/DX2 analytically  !
 ! D369  D(68,69,70,123)       179.8825         calculate D2E/DX2 analytically  !
 ! D370  D(122,69,70,71)       179.3584         calculate D2E/DX2 analytically  !
 ! D371  D(122,69,70,123)       -0.3259         calculate D2E/DX2 analytically  !
 ! D372  D(69,70,71,49)          0.3925         calculate D2E/DX2 analytically  !
 ! D373  D(69,70,71,124)      -179.3116         calculate D2E/DX2 analytically  !
 ! D374  D(123,70,71,49)      -179.924          calculate D2E/DX2 analytically  !
 ! D375  D(123,70,71,124)        0.3719         calculate D2E/DX2 analytically  !
 ! D376  D(54,72,73,74)         -0.3673         calculate D2E/DX2 analytically  !
 ! D377  D(54,72,73,126)       179.9208         calculate D2E/DX2 analytically  !
 ! D378  D(125,72,73,74)       179.3488         calculate D2E/DX2 analytically  !
 ! D379  D(125,72,73,126)       -0.3632         calculate D2E/DX2 analytically  !
 ! D380  D(72,73,74,75)          0.408          calculate D2E/DX2 analytically  !
 ! D381  D(72,73,74,127)      -179.4066         calculate D2E/DX2 analytically  !
 ! D382  D(126,73,74,75)      -179.8793         calculate D2E/DX2 analytically  !
 ! D383  D(126,73,74,127)        0.3061         calculate D2E/DX2 analytically  !
 ! D384  D(73,74,75,55)          0.2562         calculate D2E/DX2 analytically  !
 ! D385  D(73,74,75,128)      -179.3666         calculate D2E/DX2 analytically  !
 ! D386  D(127,74,75,55)      -179.9286         calculate D2E/DX2 analytically  !
 ! D387  D(127,74,75,128)        0.4486         calculate D2E/DX2 analytically  !
 ! D388  D(52,76,77,78)          0.2568         calculate D2E/DX2 analytically  !
 ! D389  D(52,76,77,130)      -179.9237         calculate D2E/DX2 analytically  !
 ! D390  D(129,76,77,78)      -179.3648         calculate D2E/DX2 analytically  !
 ! D391  D(129,76,77,130)        0.4547         calculate D2E/DX2 analytically  !
 ! D392  D(76,77,78,79)          0.4086         calculate D2E/DX2 analytically  !
 ! D393  D(76,77,78,131)      -179.8756         calculate D2E/DX2 analytically  !
 ! D394  D(130,77,78,79)      -179.4102         calculate D2E/DX2 analytically  !
 ! D395  D(130,77,78,131)        0.3056         calculate D2E/DX2 analytically  !
 ! D396  D(77,78,79,53)         -0.3677         calculate D2E/DX2 analytically  !
 ! D397  D(77,78,79,132)       179.349          calculate D2E/DX2 analytically  !
 ! D398  D(131,78,79,53)       179.9172         calculate D2E/DX2 analytically  !
 ! D399  D(131,78,79,132)       -0.3661         calculate D2E/DX2 analytically  !
 ! D400  D(15,81,82,84)         93.6865         calculate D2E/DX2 analytically  !
 ! D401  D(80,81,82,84)        -36.0033         calculate D2E/DX2 analytically  !
 ! D402  D(83,81,82,84)       -163.2466         calculate D2E/DX2 analytically  !
 ! D403  D(15,81,83,86)       -177.35           calculate D2E/DX2 analytically  !
 ! D404  D(80,81,83,86)        -52.7374         calculate D2E/DX2 analytically  !
 ! D405  D(82,81,83,86)         74.3929         calculate D2E/DX2 analytically  !
 ! D406  D(81,82,84,85)        159.6561         calculate D2E/DX2 analytically  !
 ! D407  D(81,82,84,133)       -79.3579         calculate D2E/DX2 analytically  !
 ! D408  D(81,82,84,134)        37.9606         calculate D2E/DX2 analytically  !
 ! D409  D(81,83,86,87)        171.8695         calculate D2E/DX2 analytically  !
 ! D410  D(81,83,86,138)       -67.2528         calculate D2E/DX2 analytically  !
 ! D411  D(81,83,86,139)        50.6198         calculate D2E/DX2 analytically  !
 ! D412  D(82,84,85,135)       178.7079         calculate D2E/DX2 analytically  !
 ! D413  D(82,84,85,136)       -61.729          calculate D2E/DX2 analytically  !
 ! D414  D(82,84,85,137)        59.1924         calculate D2E/DX2 analytically  !
 ! D415  D(133,84,85,135)       60.3704         calculate D2E/DX2 analytically  !
 ! D416  D(133,84,85,136)      179.9334         calculate D2E/DX2 analytically  !
 ! D417  D(133,84,85,137)      -59.1452         calculate D2E/DX2 analytically  !
 ! D418  D(134,84,85,135)      -61.9869         calculate D2E/DX2 analytically  !
 ! D419  D(134,84,85,136)       57.5762         calculate D2E/DX2 analytically  !
 ! D420  D(134,84,85,137)      178.4976         calculate D2E/DX2 analytically  !
 ! D421  D(82,84,133,143)       71.7609         calculate D2E/DX2 analytically  !
 ! D422  D(85,84,133,143)     -170.1098         calculate D2E/DX2 analytically  !
 ! D423  D(134,84,133,143)     -45.5927         calculate D2E/DX2 analytically  !
 ! D424  D(82,84,134,143)      -81.2905         calculate D2E/DX2 analytically  !
 ! D425  D(85,84,134,143)      159.9937         calculate D2E/DX2 analytically  !
 ! D426  D(133,84,134,143)      35.6437         calculate D2E/DX2 analytically  !
 ! D427  D(83,86,87,140)        59.9744         calculate D2E/DX2 analytically  !
 ! D428  D(83,86,87,141)       179.7056         calculate D2E/DX2 analytically  !
 ! D429  D(83,86,87,142)       -60.6383         calculate D2E/DX2 analytically  !
 ! D430  D(138,86,87,140)      -58.8523         calculate D2E/DX2 analytically  !
 ! D431  D(138,86,87,141)       60.8789         calculate D2E/DX2 analytically  !
 ! D432  D(138,86,87,142)     -179.4649         calculate D2E/DX2 analytically  !
 ! D433  D(139,86,87,140)      179.165          calculate D2E/DX2 analytically  !
 ! D434  D(139,86,87,141)      -61.1038         calculate D2E/DX2 analytically  !
 ! D435  D(139,86,87,142)       58.5524         calculate D2E/DX2 analytically  !
 ! D436  D(84,133,143,9)       -75.5468         calculate D2E/DX2 analytically  !
 ! D437  D(84,133,143,15)      -70.1913         calculate D2E/DX2 analytically  !
 ! D438  D(84,133,143,134)      24.7249         calculate D2E/DX2 analytically  !
 ! D439  D(84,134,143,9)        63.6028         calculate D2E/DX2 analytically  !
 ! D440  D(84,134,143,15)       53.2085         calculate D2E/DX2 analytically  !
 ! D441  D(84,134,143,133)     -22.6625         calculate D2E/DX2 analytically  !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07 EigMax=2.50D+02 EigMin=1.00D-04
 Number of steps in this run=      2 maximum allowed number of steps=      2.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C78H55ClN5O3P
 Framework group  C1[X(C78H55ClN5O3P)]
 Deg. of freedom   423
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.834980    2.897462    0.557210
      2          6           0       -2.067346    1.522036    0.686119
      3          6           0       -1.018693    0.595084    0.725436
      4          6           0        0.307776    1.071008    0.673674
      5          6           0        0.549544    2.441188    0.513547
      6          6           0       -0.503151    3.341602    0.452616
      7          6           0       -1.236207   -0.865411    0.712171
      8          6           0       -0.169580   -1.743684    1.028624
      9          6           0        1.120137   -1.158115    1.537740
     10          6           0        1.433731    0.135899    0.829635
     11          6           0       -2.439141   -1.403861    0.241789
     12          6           0       -2.618890   -2.778540    0.041192
     13          6           0       -1.520432   -3.618603    0.271758
     14          6           0       -0.319704   -3.105593    0.745818
     15          7           0        2.229547   -2.048979    1.693831
     16          6           0        3.523757   -1.639644    1.251328
     17          6           0        3.672076   -0.377006    0.634167
     18          7           0        2.608741    0.489776    0.442155
     19          6           0        4.663631   -2.452819    1.350402
     20          6           0        5.895299   -2.014959    0.879617
     21          6           0        6.061705   -0.755052    0.276750
     22          6           0        4.923895    0.042131    0.162119
     23          6           0       -2.962960    3.859828    0.531787
     24          6           0       -3.912348   -3.313041   -0.447084
     25          6           0        7.382324   -0.299772   -0.219439
     26          6           0       -3.962838   -4.383568   -1.355954
     27          6           0       -5.176450   -4.879770   -1.821201
     28          6           0       -6.382873   -4.327443   -1.371815
     29          6           0       -6.349664   -3.266386   -0.457983
     30          6           0       -5.130868   -2.764223   -0.012653
     31          6           0       -2.855283    5.117766    1.149221
     32          6           0       -3.912973    6.021618    1.138338
     33          6           0       -5.110356    5.697848    0.487604
     34          6           0       -5.230131    4.452188   -0.141680
     35          6           0       -4.173719    3.547384   -0.109640
     36          6           0        8.294926   -1.201774   -0.792284
     37          6           0        9.531689   -0.776207   -1.267343
     38          6           0        9.899572    0.571312   -1.166718
     39          6           0        9.004528    1.481893   -0.591040
     40          6           0        7.763656    1.050017   -0.133209
     41          7           0       -6.187851    6.619840    0.465060
     42          7           0       -7.622258   -4.836511   -1.836442
     43          7           0       11.163033    1.008387   -1.642014
     44          6           0       -8.028533   -6.176448   -1.787882
     45          6           0       -9.326613   -6.284550   -2.348358
     46          6           0       -9.721227   -4.952127   -2.755570
     47          6           0       -8.648884   -4.085599   -2.423937
     48          6           0       -7.501089    6.356516    0.875795
     49          6           0       -8.282427    7.526514    0.698353
     50          6           0       -7.403506    8.540580    0.154308
     51          6           0       -6.121552    7.948265    0.025133
     52          6           0       11.380006    2.040564   -2.563633
     53          6           0       12.774386    2.175976   -2.783834
     54          6           0       13.428728    1.183478   -1.957078
     55          6           0       12.406049    0.481918   -1.269121
     56          6           0      -10.864217   -4.430740   -3.372527
     57          6           0      -10.921294   -3.069282   -3.654666
     58          6           0       -9.843369   -2.227307   -3.332920
     59          6           0       -8.694450   -2.720091   -2.718111
     60          6           0       -7.364896   -7.287540   -1.260326
     61          6           0       -8.013238   -8.519115   -1.321417
     62          6           0       -9.293021   -8.646733   -1.887305
     63          6           0       -9.955013   -7.534173   -2.397652
     64          6           0       -7.591925    9.870504   -0.239009
     65          6           0       -6.515006   10.583626   -0.756854
     66          6           0       -5.254983    9.976574   -0.891957
     67          6           0       -5.039851    8.654877   -0.507696
     68          6           0       -8.044370    5.190149    1.421471
     69          6           0       -9.393343    5.204388    1.769137
     70          6           0      -10.185710    6.350249    1.585796
     71          6           0       -9.635610    7.513332    1.055630
     72          6           0       14.768098    0.843190   -1.735120
     73          6           0       15.069129   -0.175311   -0.835911
     74          6           0       14.044000   -0.850405   -0.151854
     75          6           0       12.702906   -0.532315   -0.354467
     76          6           0       10.451740    2.835879   -3.241241
     77          6           0       10.942169    3.787934   -4.132164
     78          6           0       12.321232    3.945405   -4.351441
     79          6           0       13.240099    3.141116   -3.684212
     80          8           0        0.756209   -3.513861    3.477453
     81         15           0        2.089244   -3.345828    2.871423
     82          8           0        3.309941   -3.141184    3.891646
     83          8           0        2.624776   -4.569296    1.970267
     84          6           0        3.139899   -2.381163    5.129777
     85          6           0        4.255026   -2.787849    6.071220
     86          6           0        2.625593   -5.905570    2.553888
     87          6           0        2.975019   -6.890011    1.456169
     88          1           0       -3.088828    1.175710    0.796073
     89          1           0        1.577449    2.779717    0.451653
     90          1           0       -0.298302    4.398763    0.317051
     91          1           0       -3.237581   -0.731601   -0.049760
     92          1           0       -1.608127   -4.686243    0.099174
     93          1           0        0.511766   -3.784009    0.868744
     94          1           0        4.602470   -3.434503    1.792585
     95          1           0        6.753967   -2.667260    1.003905
     96          1           0        4.957286    1.011255   -0.323588
     97          1           0       -3.038626   -4.806933   -1.736636
     98          1           0       -5.196395   -5.682342   -2.550792
     99          1           0       -7.281113   -2.855103   -0.083743
    100          1           0       -5.124145   -1.961058    0.717691
    101          1           0       -1.945375    5.375395    1.682068
    102          1           0       -3.825183    6.973130    1.651901
    103          1           0       -6.144227    4.208485   -0.672616
    104          1           0       -4.275252    2.598737   -0.627544
    105          1           0        8.017341   -2.245159   -0.905758
    106          1           0       10.209392   -1.480419   -1.738297
    107          1           0        9.295346    2.521733   -0.485602
    108          1           0        7.094156    1.765638    0.333748
    109          1           0      -11.693575   -5.082691   -3.631505
    110          1           0      -11.803008   -2.652670   -4.131621
    111          1           0       -9.902763   -1.169150   -3.570006
    112          1           0       -7.863077   -2.065011   -2.483075
    113          1           0       -6.382102   -7.196315   -0.811599
    114          1           0       -7.517068   -9.397303   -0.918840
    115          1           0       -9.769524   -9.621580   -1.920884
    116          1           0      -10.948990   -7.631910   -2.824741
    117          1           0       -8.568274   10.337286   -0.145022
    118          1           0       -6.648226   11.616275   -1.064110
    119          1           0       -4.429114   10.546492   -1.307403
    120          1           0       -4.066825    8.191245   -0.625252
    121          1           0       -7.437673    4.305095    1.576922
    122          1           0       -9.838360    4.309492    2.194071
    123          1           0      -11.234368    6.327147    1.865599
    124          1           0      -10.246260    8.402103    0.924624
    125          1           0       15.561829    1.371553   -2.255521
    126          1           0       16.104152   -0.449193   -0.656301
    127          1           0       14.299566   -1.635955    0.553227
    128          1           0       11.918475   -1.051219    0.185030
    129          1           0        9.385631    2.714140   -3.085648
    130          1           0       10.240293    4.418770   -4.669639
    131          1           0       12.670129    4.698470   -5.051221
    132          1           0       14.305441    3.256540   -3.862320
    133          1           0        3.182339   -1.318398    4.879269
    134          1           0        2.151095   -2.601015    5.538870
    135          1           0        4.171392   -2.219193    7.002698
    136          1           0        4.196481   -3.853159    6.311881
    137          1           0        5.234355   -2.582812    5.629951
    138          1           0        3.362270   -5.927293    3.363737
    139          1           0        1.635123   -6.101569    2.975065
    140          1           0        3.960429   -6.673227    1.034826
    141          1           0        2.989307   -7.905618    1.863791
    142          1           0        2.237466   -6.851703    0.650027
    143         17           0        0.733246   -0.359998    3.403192
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.0177749           0.0074046           0.0058220
 Standard basis: 6-31G(d,p) (6D, 7F)
 There are  1603 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1603 symmetry adapted basis functions of A   symmetry.
  1603 basis functions,  2897 primitive gaussians,  1603 cartesian basis functions
   307 alpha electrons      307 beta electrons
       nuclear repulsion energy     13524.2888313434 Hartrees.
 NAtoms=  143 NActive=  143 NUniq=  143 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  1603 RedAO= T EigKep=  2.75D-04  NBF=  1603
 NBsUse=  1603 1.00D-06 EigRej= -1.00D+00 NBFU=  1603
 Initial guess from the checkpoint file:  "pd.chk"
 B after Tr=    -0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -4306.68069896     A.U. after    1 cycles
            NFock=  1  Conv=0.50D-08     -V/T= 2.0085
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1  1603
 NBasis=  1603 NAE=   307 NBE=   307 NFC=     0 NFV=     0
 NROrb=   1603 NOA=   307 NOB=   307 NVA=  1296 NVB=  1296

 **** Warning!!: The largest alpha MO coefficient is  0.11283489D+02

 PrsmSu:  requested number of processors reduced to:  50 ShMem   1 Linda.
 Symmetrizing basis deriv contribution to polar:
 IMax=3 JMax=2 DiffMx= 0.00D+00
 G2DrvN: will do    72 centers at a time, making    2 passes.
 Calling FoFCou, ICntrl=  3107 FMM=T I1Cent=   0 AccDes= 0.00D+00.
 Calling FoFCou, ICntrl=  3107 FMM=T I1Cent=   0 AccDes= 0.00D+00.
 End of G2Drv F.D. properties file   721 does not exist.
 End of G2Drv F.D. properties file   722 does not exist.
 End of G2Drv F.D. properties file   788 does not exist.
          IDoAtm=11111111111111111111111111111111111111111111111111
          IDoAtm=11111111111111111111111111111111111111111111111111
          IDoAtm=1111111111111111111111111111111111111111111
          Differentiating once with respect to electric field.
                with respect to dipole field.
          Differentiating once with respect to nuclear coordinates.
 CalDSu exits because no D1Ps are significant.
          There are   432 degrees of freedom in the 1st order CPHF.  IDoFFX=6 NUNeed=     3.
    432 vectors produced by pass  0 Test12= 3.98D-13 1.00D-09 XBig12= 2.04D+03 1.50D+01.
 AX will form    96 AO Fock derivatives at one time.
    432 vectors produced by pass  1 Test12= 3.98D-13 1.00D-09 XBig12= 4.35D+02 3.15D+00.
    430 vectors produced by pass  2 Test12= 3.98D-13 1.00D-09 XBig12= 3.35D+00 1.88D-01.
    429 vectors produced by pass  3 Test12= 3.98D-13 1.00D-09 XBig12= 1.82D-02 9.51D-03.
    429 vectors produced by pass  4 Test12= 3.98D-13 1.00D-09 XBig12= 3.41D-05 2.40D-04.
    344 vectors produced by pass  5 Test12= 3.98D-13 1.00D-09 XBig12= 4.01D-08 8.06D-06.
     97 vectors produced by pass  6 Test12= 3.98D-13 1.00D-09 XBig12= 4.42D-11 2.78D-07.
      6 vectors produced by pass  7 Test12= 3.98D-13 1.00D-09 XBig12= 4.80D-14 9.36D-09.
      3 vectors produced by pass  8 Test12= 3.98D-13 1.00D-09 XBig12= 3.13D-15 2.88D-09.
      2 vectors produced by pass  9 Test12= 3.98D-13 1.00D-09 XBig12= 3.47D-15 1.55D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 4.62D-14
 Solved reduced A of dimension  2604 with   432 vectors.
 Isotropic polarizability for W=    0.000000     1083.06 Bohr**3.
 End of Minotr F.D. properties file   721 does not exist.
 End of Minotr F.D. properties file   722 does not exist.
 End of Minotr F.D. properties file   788 does not exist.
 Hyperfine terms turned off by default for NAtoms > 100.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -101.49900 -77.24843 -19.19602 -19.19190 -19.12009
 Alpha  occ. eigenvalues --  -14.40152 -14.38446 -14.38326 -14.38320 -14.34693
 Alpha  occ. eigenvalues --  -10.31277 -10.26555 -10.25791 -10.25564 -10.25325
 Alpha  occ. eigenvalues --  -10.24375 -10.24221 -10.24166 -10.23377 -10.22535
 Alpha  occ. eigenvalues --  -10.22532 -10.22458 -10.22435 -10.22417 -10.22414
 Alpha  occ. eigenvalues --  -10.21788 -10.21536 -10.21291 -10.21238 -10.21229
 Alpha  occ. eigenvalues --  -10.21154 -10.21115 -10.21077 -10.20874 -10.20713
 Alpha  occ. eigenvalues --  -10.20530 -10.20497 -10.20454 -10.20437 -10.20433
 Alpha  occ. eigenvalues --  -10.20389 -10.20358 -10.20332 -10.20315 -10.20310
 Alpha  occ. eigenvalues --  -10.20303 -10.20301 -10.20273 -10.20247 -10.20209
 Alpha  occ. eigenvalues --  -10.20079 -10.20055 -10.19950 -10.19949 -10.19930
 Alpha  occ. eigenvalues --  -10.19806 -10.19738 -10.19220 -10.18925 -10.18920
 Alpha  occ. eigenvalues --  -10.18904 -10.18890 -10.18869 -10.18849 -10.18845
 Alpha  occ. eigenvalues --  -10.18823 -10.18820 -10.18820 -10.18816 -10.18805
 Alpha  occ. eigenvalues --  -10.18802 -10.18800 -10.18792 -10.18782 -10.18782
 Alpha  occ. eigenvalues --  -10.18769 -10.18747 -10.18738 -10.18720 -10.18710
 Alpha  occ. eigenvalues --  -10.18697 -10.18691 -10.18224 -10.18206 -10.18173
 Alpha  occ. eigenvalues --  -10.18135 -10.18109 -10.18103  -9.41460  -7.17751
 Alpha  occ. eigenvalues --   -7.16951  -7.16919  -6.69493  -4.85861  -4.85855
 Alpha  occ. eigenvalues --   -4.85695  -1.09529  -1.04549  -0.99746  -0.99120
 Alpha  occ. eigenvalues --   -0.99014  -0.98996  -0.97447  -0.93517  -0.89599
 Alpha  occ. eigenvalues --   -0.88063  -0.87964  -0.87517  -0.86258  -0.86051
 Alpha  occ. eigenvalues --   -0.84609  -0.84344  -0.84271  -0.84230  -0.84080
 Alpha  occ. eigenvalues --   -0.84008  -0.81962  -0.79839  -0.79510  -0.79019
 Alpha  occ. eigenvalues --   -0.78486  -0.78261  -0.77553  -0.77154  -0.77016
 Alpha  occ. eigenvalues --   -0.76658  -0.76286  -0.76226  -0.76114  -0.75763
 Alpha  occ. eigenvalues --   -0.74919  -0.74784  -0.74700  -0.74670  -0.74209
 Alpha  occ. eigenvalues --   -0.73939  -0.73320  -0.72030  -0.71525  -0.71455
 Alpha  occ. eigenvalues --   -0.71411  -0.71250  -0.70973  -0.69627  -0.67006
 Alpha  occ. eigenvalues --   -0.66560  -0.65153  -0.64815  -0.64645  -0.64057
 Alpha  occ. eigenvalues --   -0.63985  -0.63284  -0.63005  -0.62678  -0.62359
 Alpha  occ. eigenvalues --   -0.62066  -0.61621  -0.61179  -0.60500  -0.60248
 Alpha  occ. eigenvalues --   -0.59937  -0.59881  -0.59446  -0.58518  -0.58491
 Alpha  occ. eigenvalues --   -0.57899  -0.57779  -0.57371  -0.57303  -0.57269
 Alpha  occ. eigenvalues --   -0.57167  -0.55974  -0.54916  -0.54212  -0.53839
 Alpha  occ. eigenvalues --   -0.53749  -0.53627  -0.53393  -0.52488  -0.51516
 Alpha  occ. eigenvalues --   -0.51429  -0.51397  -0.51156  -0.50725  -0.50450
 Alpha  occ. eigenvalues --   -0.50046  -0.49850  -0.49556  -0.49117  -0.48710
 Alpha  occ. eigenvalues --   -0.48367  -0.48051  -0.47920  -0.47437  -0.46498
 Alpha  occ. eigenvalues --   -0.46431  -0.46204  -0.46132  -0.45926  -0.45806
 Alpha  occ. eigenvalues --   -0.45514  -0.45306  -0.45244  -0.45208  -0.45148
 Alpha  occ. eigenvalues --   -0.45130  -0.44908  -0.44544  -0.44209  -0.43893
 Alpha  occ. eigenvalues --   -0.43782  -0.43600  -0.43540  -0.43495  -0.43458
 Alpha  occ. eigenvalues --   -0.43395  -0.43340  -0.43305  -0.43149  -0.42972
 Alpha  occ. eigenvalues --   -0.42754  -0.42744  -0.42007  -0.41944  -0.41909
 Alpha  occ. eigenvalues --   -0.41888  -0.41764  -0.41702  -0.41632  -0.41614
 Alpha  occ. eigenvalues --   -0.41368  -0.41307  -0.40917  -0.40783  -0.40673
 Alpha  occ. eigenvalues --   -0.40403  -0.39894  -0.39470  -0.39268  -0.39098
 Alpha  occ. eigenvalues --   -0.38684  -0.38452  -0.37972  -0.37826  -0.37707
 Alpha  occ. eigenvalues --   -0.37528  -0.37076  -0.36908  -0.36693  -0.36511
 Alpha  occ. eigenvalues --   -0.36425  -0.36339  -0.36272  -0.36202  -0.36168
 Alpha  occ. eigenvalues --   -0.36007  -0.35919  -0.35761  -0.35572  -0.35379
 Alpha  occ. eigenvalues --   -0.35160  -0.35091  -0.35060  -0.34998  -0.34399
 Alpha  occ. eigenvalues --   -0.34263  -0.33890  -0.33841  -0.33765  -0.33441
 Alpha  occ. eigenvalues --   -0.33370  -0.33322  -0.33112  -0.32944  -0.32509
 Alpha  occ. eigenvalues --   -0.32394  -0.32284  -0.31658  -0.31355  -0.30329
 Alpha  occ. eigenvalues --   -0.29866  -0.28636  -0.28124  -0.27966  -0.27858
 Alpha  occ. eigenvalues --   -0.27732  -0.27617  -0.27178  -0.26692  -0.26675
 Alpha  occ. eigenvalues --   -0.26523  -0.26517  -0.26371  -0.25156  -0.25122
 Alpha  occ. eigenvalues --   -0.25052  -0.25009  -0.24211  -0.23653  -0.22698
 Alpha  occ. eigenvalues --   -0.21593  -0.21291  -0.21223  -0.21178  -0.19818
 Alpha  occ. eigenvalues --   -0.19699  -0.19625
 Alpha virt. eigenvalues --   -0.08991  -0.05428  -0.03885  -0.03843  -0.03171
 Alpha virt. eigenvalues --   -0.02726  -0.02660  -0.02614  -0.01869  -0.01772
 Alpha virt. eigenvalues --   -0.01678  -0.01519   0.00108   0.00619   0.00686
 Alpha virt. eigenvalues --    0.00731   0.01230   0.01426   0.02665   0.03316
 Alpha virt. eigenvalues --    0.03613   0.04164   0.04315   0.04387   0.04430
 Alpha virt. eigenvalues --    0.05125   0.06579   0.07623   0.08066   0.08550
 Alpha virt. eigenvalues --    0.09198   0.09357   0.09386   0.10061   0.10312
 Alpha virt. eigenvalues --    0.10333   0.10471   0.10565   0.10623   0.10666
 Alpha virt. eigenvalues --    0.10712   0.10893   0.11224   0.11481   0.11654
 Alpha virt. eigenvalues --    0.12024   0.12549   0.13004   0.13112   0.13171
 Alpha virt. eigenvalues --    0.13178   0.13224   0.13610   0.13772   0.14265
 Alpha virt. eigenvalues --    0.14446   0.14755   0.15062   0.15165   0.15263
 Alpha virt. eigenvalues --    0.15501   0.15623   0.15651   0.15726   0.15906
 Alpha virt. eigenvalues --    0.15944   0.15974   0.16018   0.16188   0.16237
 Alpha virt. eigenvalues --    0.16317   0.16490   0.16644   0.16817   0.16878
 Alpha virt. eigenvalues --    0.17298   0.17529   0.17641   0.18110   0.18251
 Alpha virt. eigenvalues --    0.18324   0.18344   0.18470   0.18533   0.18591
 Alpha virt. eigenvalues --    0.18694   0.18926   0.19270   0.19484   0.19764
 Alpha virt. eigenvalues --    0.19830   0.19878   0.20027   0.20096   0.20137
 Alpha virt. eigenvalues --    0.20219   0.20412   0.20665   0.20787   0.20824
 Alpha virt. eigenvalues --    0.21026   0.21434   0.21708   0.22195   0.22518
 Alpha virt. eigenvalues --    0.22647   0.22894   0.23010   0.23406   0.24425
 Alpha virt. eigenvalues --    0.24885   0.25177   0.25301   0.25549   0.25625
 Alpha virt. eigenvalues --    0.25654   0.26026   0.26198   0.26284   0.26334
 Alpha virt. eigenvalues --    0.26437   0.26819   0.27096   0.27528   0.27617
 Alpha virt. eigenvalues --    0.27689   0.27784   0.28392   0.29002   0.29491
 Alpha virt. eigenvalues --    0.29576   0.29593   0.29721   0.30291   0.30668
 Alpha virt. eigenvalues --    0.31065   0.31186   0.31416   0.31649   0.32011
 Alpha virt. eigenvalues --    0.32214   0.32350   0.32596   0.33318   0.33662
 Alpha virt. eigenvalues --    0.33909   0.34283   0.34332   0.34795   0.35176
 Alpha virt. eigenvalues --    0.35592   0.35805   0.35854   0.35974   0.36083
 Alpha virt. eigenvalues --    0.36918   0.37144   0.37605   0.37720   0.38226
 Alpha virt. eigenvalues --    0.38726   0.38904   0.39013   0.39093   0.39140
 Alpha virt. eigenvalues --    0.39258   0.39324   0.40114   0.40546   0.41636
 Alpha virt. eigenvalues --    0.41826   0.42053   0.42198   0.43113   0.43723
 Alpha virt. eigenvalues --    0.44377   0.45250   0.45892   0.46114   0.46228
 Alpha virt. eigenvalues --    0.46320   0.46715   0.47483   0.47840   0.48267
 Alpha virt. eigenvalues --    0.48661   0.49108   0.49665   0.49684   0.49765
 Alpha virt. eigenvalues --    0.49817   0.50090   0.50152   0.50429   0.50575
 Alpha virt. eigenvalues --    0.50860   0.51336   0.51515   0.51617   0.51736
 Alpha virt. eigenvalues --    0.51990   0.52137   0.52371   0.52624   0.52762
 Alpha virt. eigenvalues --    0.52837   0.52910   0.52969   0.53143   0.53234
 Alpha virt. eigenvalues --    0.53298   0.53448   0.53537   0.53559   0.53749
 Alpha virt. eigenvalues --    0.53821   0.53911   0.54180   0.54265   0.54454
 Alpha virt. eigenvalues --    0.54533   0.54626   0.54718   0.54776   0.55006
 Alpha virt. eigenvalues --    0.55237   0.55344   0.55490   0.55596   0.55746
 Alpha virt. eigenvalues --    0.55856   0.55972   0.56082   0.56172   0.56282
 Alpha virt. eigenvalues --    0.56417   0.56539   0.56567   0.56759   0.56802
 Alpha virt. eigenvalues --    0.56895   0.57078   0.57174   0.57256   0.57366
 Alpha virt. eigenvalues --    0.57615   0.57658   0.57723   0.57776   0.57871
 Alpha virt. eigenvalues --    0.57985   0.58054   0.58103   0.58209   0.58309
 Alpha virt. eigenvalues --    0.58361   0.58441   0.58625   0.58665   0.58913
 Alpha virt. eigenvalues --    0.59098   0.59333   0.59564   0.59594   0.59669
 Alpha virt. eigenvalues --    0.59716   0.59828   0.59944   0.60035   0.60168
 Alpha virt. eigenvalues --    0.60300   0.60389   0.60530   0.60771   0.60962
 Alpha virt. eigenvalues --    0.60968   0.61170   0.61321   0.61510   0.61518
 Alpha virt. eigenvalues --    0.61548   0.61565   0.61605   0.61621   0.61649
 Alpha virt. eigenvalues --    0.61711   0.61837   0.61964   0.62051   0.62247
 Alpha virt. eigenvalues --    0.62384   0.62486   0.62650   0.63075   0.63239
 Alpha virt. eigenvalues --    0.63589   0.63647   0.63823   0.63891   0.63960
 Alpha virt. eigenvalues --    0.64000   0.64083   0.64144   0.64262   0.64324
 Alpha virt. eigenvalues --    0.64364   0.64414   0.64464   0.64565   0.64920
 Alpha virt. eigenvalues --    0.65212   0.65290   0.65403   0.65445   0.65984
 Alpha virt. eigenvalues --    0.66421   0.66552   0.66728   0.67136   0.67498
 Alpha virt. eigenvalues --    0.68665   0.69244   0.69514   0.69574   0.69687
 Alpha virt. eigenvalues --    0.69746   0.70155   0.70563   0.70728   0.70823
 Alpha virt. eigenvalues --    0.71037   0.71096   0.71675   0.71965   0.72839
 Alpha virt. eigenvalues --    0.73654   0.73719   0.74343   0.74415   0.74457
 Alpha virt. eigenvalues --    0.74878   0.75015   0.75726   0.76132   0.76864
 Alpha virt. eigenvalues --    0.77109   0.77321   0.77450   0.77739   0.77905
 Alpha virt. eigenvalues --    0.78184   0.78515   0.78655   0.78826   0.78958
 Alpha virt. eigenvalues --    0.79447   0.79523   0.79577   0.79603   0.79663
 Alpha virt. eigenvalues --    0.79760   0.80079   0.80406   0.80454   0.80657
 Alpha virt. eigenvalues --    0.80961   0.81313   0.81383   0.81489   0.81766
 Alpha virt. eigenvalues --    0.82107   0.82128   0.82155   0.82286   0.82342
 Alpha virt. eigenvalues --    0.82409   0.82593   0.82706   0.83037   0.83242
 Alpha virt. eigenvalues --    0.83298   0.83496   0.83637   0.83810   0.83945
 Alpha virt. eigenvalues --    0.84001   0.84080   0.84182   0.84354   0.84398
 Alpha virt. eigenvalues --    0.84443   0.84720   0.84780   0.84818   0.85042
 Alpha virt. eigenvalues --    0.85118   0.85409   0.85466   0.85650   0.86096
 Alpha virt. eigenvalues --    0.86264   0.86520   0.86574   0.86953   0.87105
 Alpha virt. eigenvalues --    0.87133   0.87287   0.87727   0.88128   0.88298
 Alpha virt. eigenvalues --    0.88588   0.88685   0.88868   0.89087   0.89419
 Alpha virt. eigenvalues --    0.89879   0.90008   0.90114   0.90138   0.90226
 Alpha virt. eigenvalues --    0.90280   0.90775   0.90856   0.91260   0.91327
 Alpha virt. eigenvalues --    0.91511   0.91921   0.92075   0.92178   0.92479
 Alpha virt. eigenvalues --    0.92681   0.92856   0.93463   0.93786   0.93896
 Alpha virt. eigenvalues --    0.94177   0.94299   0.94691   0.94713   0.94924
 Alpha virt. eigenvalues --    0.95396   0.95669   0.95802   0.96190   0.96826
 Alpha virt. eigenvalues --    0.97025   0.97573   0.97633   0.97705   0.97864
 Alpha virt. eigenvalues --    0.98515   0.98620   0.98906   0.98975   0.99069
 Alpha virt. eigenvalues --    0.99080   0.99167   0.99623   0.99771   0.99883
 Alpha virt. eigenvalues --    0.99934   1.00015   1.00321   1.00693   1.00772
 Alpha virt. eigenvalues --    1.00982   1.01288   1.01386   1.01599   1.01754
 Alpha virt. eigenvalues --    1.02168   1.02601   1.03203   1.03485   1.04239
 Alpha virt. eigenvalues --    1.04525   1.04911   1.05327   1.05654   1.05962
 Alpha virt. eigenvalues --    1.06411   1.06620   1.06675   1.06714   1.06779
 Alpha virt. eigenvalues --    1.06882   1.07184   1.07728   1.08799   1.08924
 Alpha virt. eigenvalues --    1.09527   1.09649   1.10238   1.10809   1.10926
 Alpha virt. eigenvalues --    1.11809   1.11922   1.12340   1.12576   1.12915
 Alpha virt. eigenvalues --    1.13104   1.13369   1.13742   1.13942   1.14344
 Alpha virt. eigenvalues --    1.14571   1.14609   1.14634   1.14696   1.14766
 Alpha virt. eigenvalues --    1.14932   1.15139   1.15450   1.15819   1.15942
 Alpha virt. eigenvalues --    1.16323   1.16687   1.16905   1.17298   1.18220
 Alpha virt. eigenvalues --    1.18669   1.18790   1.18846   1.18946   1.19337
 Alpha virt. eigenvalues --    1.19349   1.19509   1.19920   1.20402   1.20727
 Alpha virt. eigenvalues --    1.20816   1.20827   1.20878   1.21965   1.21989
 Alpha virt. eigenvalues --    1.22545   1.22825   1.23110   1.23763   1.24543
 Alpha virt. eigenvalues --    1.24737   1.25184   1.25515   1.25722   1.26374
 Alpha virt. eigenvalues --    1.26429   1.26645   1.26799   1.27661   1.27808
 Alpha virt. eigenvalues --    1.27844   1.27995   1.28476   1.28749   1.29446
 Alpha virt. eigenvalues --    1.29850   1.30592   1.30644   1.30739   1.30799
 Alpha virt. eigenvalues --    1.31349   1.31885   1.32383   1.32817   1.32898
 Alpha virt. eigenvalues --    1.32935   1.33361   1.34246   1.34595   1.35011
 Alpha virt. eigenvalues --    1.35494   1.36300   1.36657   1.36797   1.36874
 Alpha virt. eigenvalues --    1.36943   1.37012   1.37114   1.37132   1.37167
 Alpha virt. eigenvalues --    1.37372   1.37552   1.37701   1.37788   1.37959
 Alpha virt. eigenvalues --    1.38268   1.38443   1.38554   1.38766   1.38783
 Alpha virt. eigenvalues --    1.38906   1.38991   1.39484   1.39550   1.39804
 Alpha virt. eigenvalues --    1.40079   1.40760   1.40909   1.41277   1.41315
 Alpha virt. eigenvalues --    1.41377   1.41396   1.41474   1.41586   1.41636
 Alpha virt. eigenvalues --    1.41728   1.41759   1.41853   1.41961   1.42032
 Alpha virt. eigenvalues --    1.42271   1.42740   1.42987   1.43078   1.43086
 Alpha virt. eigenvalues --    1.43598   1.43709   1.43768   1.44003   1.44111
 Alpha virt. eigenvalues --    1.44275   1.44541   1.45461   1.45790   1.45949
 Alpha virt. eigenvalues --    1.46089   1.46359   1.46746   1.47054   1.47530
 Alpha virt. eigenvalues --    1.47674   1.48875   1.49088   1.49454   1.50874
 Alpha virt. eigenvalues --    1.51507   1.52659   1.54291   1.55547   1.56628
 Alpha virt. eigenvalues --    1.57809   1.58801   1.58977   1.59028   1.59952
 Alpha virt. eigenvalues --    1.60091   1.60311   1.61263   1.61412   1.61494
 Alpha virt. eigenvalues --    1.61643   1.62547   1.63435   1.63705   1.64168
 Alpha virt. eigenvalues --    1.64347   1.65020   1.65248   1.65793   1.66854
 Alpha virt. eigenvalues --    1.67671   1.68182   1.68448   1.68803   1.69362
 Alpha virt. eigenvalues --    1.69905   1.70900   1.72091   1.72345   1.72585
 Alpha virt. eigenvalues --    1.72743   1.72809   1.72951   1.73283   1.73972
 Alpha virt. eigenvalues --    1.74200   1.74494   1.74578   1.74916   1.75178
 Alpha virt. eigenvalues --    1.75581   1.75761   1.75852   1.75914   1.75964
 Alpha virt. eigenvalues --    1.76211   1.76231   1.76295   1.76397   1.76468
 Alpha virt. eigenvalues --    1.77268   1.77589   1.77748   1.78028   1.78321
 Alpha virt. eigenvalues --    1.78469   1.79113   1.79366   1.79569   1.79609
 Alpha virt. eigenvalues --    1.79761   1.80412   1.80522   1.80613   1.80757
 Alpha virt. eigenvalues --    1.81131   1.81711   1.81871   1.82189   1.82369
 Alpha virt. eigenvalues --    1.82443   1.83087   1.83209   1.83235   1.83385
 Alpha virt. eigenvalues --    1.83944   1.84405   1.84511   1.84662   1.85030
 Alpha virt. eigenvalues --    1.85579   1.86233   1.86691   1.87200   1.87778
 Alpha virt. eigenvalues --    1.87886   1.88141   1.88251   1.88310   1.88417
 Alpha virt. eigenvalues --    1.88561   1.88686   1.89108   1.89146   1.89313
 Alpha virt. eigenvalues --    1.89380   1.89434   1.89488   1.89516   1.90021
 Alpha virt. eigenvalues --    1.90076   1.90206   1.90578   1.90733   1.91086
 Alpha virt. eigenvalues --    1.91089   1.91150   1.91302   1.91448   1.92130
 Alpha virt. eigenvalues --    1.92219   1.92295   1.92331   1.92408   1.92527
 Alpha virt. eigenvalues --    1.92630   1.92733   1.93343   1.93487   1.93762
 Alpha virt. eigenvalues --    1.94437   1.94598   1.94916   1.94957   1.95060
 Alpha virt. eigenvalues --    1.95570   1.95725   1.96038   1.96123   1.96276
 Alpha virt. eigenvalues --    1.96495   1.96668   1.96806   1.96901   1.97085
 Alpha virt. eigenvalues --    1.97288   1.97355   1.97637   1.97752   1.97906
 Alpha virt. eigenvalues --    1.98477   1.98545   1.98576   1.99094   1.99269
 Alpha virt. eigenvalues --    1.99439   1.99479   1.99571   1.99688   1.99922
 Alpha virt. eigenvalues --    2.00135   2.00174   2.00243   2.00444   2.01391
 Alpha virt. eigenvalues --    2.01425   2.01701   2.02205   2.02471   2.02538
 Alpha virt. eigenvalues --    2.02870   2.03037   2.03208   2.03265   2.03299
 Alpha virt. eigenvalues --    2.03515   2.03793   2.03918   2.04068   2.04527
 Alpha virt. eigenvalues --    2.04744   2.04967   2.05180   2.05243   2.05293
 Alpha virt. eigenvalues --    2.05529   2.07107   2.07708   2.08286   2.08375
 Alpha virt. eigenvalues --    2.08396   2.08716   2.09659   2.09948   2.10643
 Alpha virt. eigenvalues --    2.11131   2.11182   2.11354   2.11854   2.12248
 Alpha virt. eigenvalues --    2.12336   2.12362   2.12742   2.13245   2.13963
 Alpha virt. eigenvalues --    2.16459   2.16871   2.16916   2.17062   2.17264
 Alpha virt. eigenvalues --    2.17416   2.17644   2.18047   2.18317   2.18932
 Alpha virt. eigenvalues --    2.19167   2.19710   2.20005   2.20360   2.20597
 Alpha virt. eigenvalues --    2.20730   2.20805   2.20932   2.21106   2.21835
 Alpha virt. eigenvalues --    2.22406   2.22549   2.22635   2.22657   2.23190
 Alpha virt. eigenvalues --    2.23553   2.24399   2.24746   2.25109   2.25180
 Alpha virt. eigenvalues --    2.25247   2.25714   2.25986   2.26369   2.26638
 Alpha virt. eigenvalues --    2.26972   2.27119   2.27318   2.27528   2.28049
 Alpha virt. eigenvalues --    2.28993   2.29215   2.29499   2.29537   2.29784
 Alpha virt. eigenvalues --    2.30281   2.30608   2.30684   2.30933   2.31282
 Alpha virt. eigenvalues --    2.31576   2.31641   2.31862   2.31992   2.32442
 Alpha virt. eigenvalues --    2.32565   2.32667   2.33375   2.33702   2.34615
 Alpha virt. eigenvalues --    2.34734   2.34783   2.34820   2.35565   2.35661
 Alpha virt. eigenvalues --    2.35709   2.35839   2.36527   2.36791   2.37230
 Alpha virt. eigenvalues --    2.37374   2.37447   2.37480   2.37593   2.37786
 Alpha virt. eigenvalues --    2.37858   2.37896   2.38141   2.38458   2.39056
 Alpha virt. eigenvalues --    2.39216   2.39322   2.39389   2.39440   2.39658
 Alpha virt. eigenvalues --    2.39843   2.39877   2.40038   2.40343   2.40727
 Alpha virt. eigenvalues --    2.40784   2.40894   2.41116   2.41448   2.42299
 Alpha virt. eigenvalues --    2.42519   2.43066   2.43139   2.43447   2.43679
 Alpha virt. eigenvalues --    2.43895   2.44074   2.44265   2.44337   2.44410
 Alpha virt. eigenvalues --    2.44486   2.44665   2.44701   2.44721   2.44761
 Alpha virt. eigenvalues --    2.44797   2.45270   2.45406   2.45812   2.46085
 Alpha virt. eigenvalues --    2.46422   2.47131   2.47383   2.47530   2.47714
 Alpha virt. eigenvalues --    2.47781   2.47846   2.48112   2.48240   2.48752
 Alpha virt. eigenvalues --    2.49111   2.49308   2.49599   2.49670   2.50036
 Alpha virt. eigenvalues --    2.50545   2.50898   2.51092   2.51408   2.51527
 Alpha virt. eigenvalues --    2.51829   2.52048   2.52222   2.52757   2.52836
 Alpha virt. eigenvalues --    2.52904   2.52953   2.52967   2.53100   2.53183
 Alpha virt. eigenvalues --    2.53231   2.54196   2.54532   2.54719   2.55617
 Alpha virt. eigenvalues --    2.55765   2.55837   2.55946   2.56301   2.56860
 Alpha virt. eigenvalues --    2.57158   2.57248   2.57384   2.57468   2.57620
 Alpha virt. eigenvalues --    2.57890   2.58117   2.58217   2.58259   2.58565
 Alpha virt. eigenvalues --    2.59110   2.59390   2.59618   2.60014   2.60210
 Alpha virt. eigenvalues --    2.60305   2.60732   2.60895   2.61165   2.61330
 Alpha virt. eigenvalues --    2.61782   2.62034   2.62819   2.63044   2.63387
 Alpha virt. eigenvalues --    2.63436   2.63499   2.63773   2.63967   2.64072
 Alpha virt. eigenvalues --    2.64393   2.65081   2.65236   2.65800   2.65955
 Alpha virt. eigenvalues --    2.66100   2.66184   2.66659   2.66747   2.67086
 Alpha virt. eigenvalues --    2.67752   2.68278   2.68899   2.69531   2.69631
 Alpha virt. eigenvalues --    2.69689   2.69734   2.70183   2.70566   2.70865
 Alpha virt. eigenvalues --    2.71047   2.71154   2.71791   2.71992   2.72348
 Alpha virt. eigenvalues --    2.72472   2.73266   2.73446   2.73944   2.74216
 Alpha virt. eigenvalues --    2.74279   2.74706   2.74791   2.75029   2.75124
 Alpha virt. eigenvalues --    2.75895   2.76422   2.76595   2.76951   2.77076
 Alpha virt. eigenvalues --    2.77498   2.77551   2.77647   2.78336   2.78729
 Alpha virt. eigenvalues --    2.79415   2.80031   2.80213   2.80678   2.81249
 Alpha virt. eigenvalues --    2.81627   2.81855   2.82455   2.82959   2.83233
 Alpha virt. eigenvalues --    2.83691   2.83937   2.84038   2.84100   2.84217
 Alpha virt. eigenvalues --    2.84369   2.84650   2.85098   2.85950   2.86244
 Alpha virt. eigenvalues --    2.86969   2.87500   2.87938   2.89303   2.89491
 Alpha virt. eigenvalues --    2.90631   2.90661   2.90710   2.91487   2.91986
 Alpha virt. eigenvalues --    2.92133   2.92214   2.92450   2.92646   2.93028
 Alpha virt. eigenvalues --    2.94100   2.94764   2.94888   2.95641   2.96398
 Alpha virt. eigenvalues --    2.96408   2.96498   2.96534   2.98656   2.99289
 Alpha virt. eigenvalues --    3.01346   3.01943   3.03595   3.05363   3.05549
 Alpha virt. eigenvalues --    3.05739   3.06306   3.09145   3.10370   3.10628
 Alpha virt. eigenvalues --    3.11254   3.13299   3.13630   3.13741   3.13813
 Alpha virt. eigenvalues --    3.17048   3.17375   3.18180   3.18313   3.18868
 Alpha virt. eigenvalues --    3.19207   3.19294   3.19609   3.19907   3.20379
 Alpha virt. eigenvalues --    3.22337   3.22405   3.22478   3.23359   3.23768
 Alpha virt. eigenvalues --    3.24392   3.24506   3.24525   3.24545   3.24588
 Alpha virt. eigenvalues --    3.24649   3.24792   3.25100   3.25130   3.25190
 Alpha virt. eigenvalues --    3.25978   3.26171   3.26375   3.26926   3.27795
 Alpha virt. eigenvalues --    3.30100   3.31120   3.31148   3.31242   3.31271
 Alpha virt. eigenvalues --    3.31705   3.32815   3.33056   3.33089   3.33533
 Alpha virt. eigenvalues --    3.34525   3.36056   3.37041   3.37349   3.37412
 Alpha virt. eigenvalues --    3.37833   3.38029   3.38128   3.38208   3.38402
 Alpha virt. eigenvalues --    3.42576   3.43693   3.44059   3.44615   3.45009
 Alpha virt. eigenvalues --    3.45040   3.45058   3.45438   3.46633   3.46876
 Alpha virt. eigenvalues --    3.46971   3.46992   3.47953   3.49588   3.49942
 Alpha virt. eigenvalues --    3.50018   3.50142   3.50983   3.51742   3.51795
 Alpha virt. eigenvalues --    3.51924   3.56728   3.71278   3.73566   3.76222
 Alpha virt. eigenvalues --    3.81458   3.81697   3.81855   3.82927   3.83594
 Alpha virt. eigenvalues --    3.84428   3.89938   3.89990   3.90047   4.01151
 Alpha virt. eigenvalues --    4.06883   4.10697   4.10853   4.10895   4.11465
 Alpha virt. eigenvalues --    4.11603   4.11753   4.11849   4.13870   4.13923
 Alpha virt. eigenvalues --    4.13973   4.14171   4.14325   4.14375   4.14441
 Alpha virt. eigenvalues --    4.14757   4.15211   4.15547   4.16060   4.16150
 Alpha virt. eigenvalues --    4.16237   4.16339   4.16899   4.18171   4.18320
 Alpha virt. eigenvalues --    4.18450   4.18468   4.18801   4.18852   4.19091
 Alpha virt. eigenvalues --    4.19815   4.20985   4.21055   4.21097   4.22403
 Alpha virt. eigenvalues --    4.22686   4.23877   4.26026   4.26225   4.30394
 Alpha virt. eigenvalues --    4.32843   4.35636   4.36658   4.37311   4.37337
 Alpha virt. eigenvalues --    4.37475   4.38175   4.38755   4.39991   4.42632
 Alpha virt. eigenvalues --    4.43268   4.43693   4.43900   4.44052   4.44072
 Alpha virt. eigenvalues --    4.44296   4.45405   4.45501   4.45646   4.47572
 Alpha virt. eigenvalues --    4.48528   4.49963   4.52784   4.52850   4.52874
 Alpha virt. eigenvalues --    4.53016   4.53596   4.53663   4.53729   4.53855
 Alpha virt. eigenvalues --    4.56575   4.59203   4.59596   4.69520   4.74541
 Alpha virt. eigenvalues --    4.78726   4.80885   4.82492   4.83710   4.85879
 Alpha virt. eigenvalues --    4.88883   4.90653   4.93199   4.93262   4.93310
 Alpha virt. eigenvalues --    4.94804
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  C    0.070914
     2  C   -0.176329
     3  C    0.073171
     4  C    0.063749
     5  C   -0.104269
     6  C   -0.122134
     7  C    0.072788
     8  C    0.138482
     9  C   -0.013980
    10  C    0.299813
    11  C   -0.165088
    12  C    0.073403
    13  C   -0.130067
    14  C   -0.092900
    15  N   -0.727171
    16  C    0.332357
    17  C    0.240608
    18  N   -0.564855
    19  C   -0.119867
    20  C   -0.134702
    21  C    0.068831
    22  C   -0.152833
    23  C    0.071666
    24  C    0.071510
    25  C    0.076748
    26  C   -0.129207
    27  C   -0.099570
    28  C    0.246970
    29  C   -0.099687
    30  C   -0.129555
    31  C   -0.130130
    32  C   -0.099107
    33  C    0.246309
    34  C   -0.099612
    35  C   -0.128572
    36  C   -0.132423
    37  C   -0.098861
    38  C    0.244001
    39  C   -0.099759
    40  C   -0.129057
    41  N   -0.732839
    42  N   -0.733056
    43  N   -0.732169
    44  C    0.293220
    45  C    0.040859
    46  C    0.040958
    47  C    0.293268
    48  C    0.293188
    49  C    0.040820
    50  C    0.040932
    51  C    0.293191
    52  C    0.293056
    53  C    0.040833
    54  C    0.040784
    55  C    0.293280
    56  C   -0.133194
    57  C   -0.100277
    58  C   -0.098636
    59  C   -0.110186
    60  C   -0.110490
    61  C   -0.098656
    62  C   -0.100268
    63  C   -0.133220
    64  C   -0.133308
    65  C   -0.100322
    66  C   -0.098712
    67  C   -0.110473
    68  C   -0.110523
    69  C   -0.098738
    70  C   -0.100344
    71  C   -0.133292
    72  C   -0.133404
    73  C   -0.100519
    74  C   -0.098769
    75  C   -0.110618
    76  C   -0.110814
    77  C   -0.098753
    78  C   -0.100431
    79  C   -0.133381
    80  O   -0.560490
    81  P    1.418336
    82  O   -0.571428
    83  O   -0.595343
    84  C    0.034294
    85  C   -0.337280
    86  C    0.030132
    87  C   -0.335883
    88  H    0.094792
    89  H    0.114008
    90  H    0.091427
    91  H    0.089766
    92  H    0.089313
    93  H    0.106752
    94  H    0.121183
    95  H    0.090468
    96  H    0.103467
    97  H    0.095346
    98  H    0.109719
    99  H    0.110592
   100  H    0.098109
   101  H    0.099090
   102  H    0.110319
   103  H    0.109173
   104  H    0.093017
   105  H    0.093070
   106  H    0.108431
   107  H    0.109524
   108  H    0.097683
   109  H    0.085529
   110  H    0.080909
   111  H    0.083413
   112  H    0.091221
   113  H    0.092468
   114  H    0.082506
   115  H    0.080360
   116  H    0.085530
   117  H    0.085232
   118  H    0.080212
   119  H    0.082761
   120  H    0.092421
   121  H    0.092353
   122  H    0.083143
   123  H    0.080427
   124  H    0.085234
   125  H    0.085135
   126  H    0.079829
   127  H    0.081738
   128  H    0.091324
   129  H    0.093212
   130  H    0.082994
   131  H    0.080128
   132  H    0.084975
   133  H    0.139669
   134  H    0.147231
   135  H    0.118211
   136  H    0.119426
   137  H    0.124890
   138  H    0.124454
   139  H    0.139625
   140  H    0.126144
   141  H    0.117056
   142  H    0.127717
   143  Cl  -0.205648
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.070914
     2  C   -0.081537
     3  C    0.073171
     4  C    0.063749
     5  C    0.009739
     6  C   -0.030707
     7  C    0.072788
     8  C    0.138482
     9  C   -0.013980
    10  C    0.299813
    11  C   -0.075322
    12  C    0.073403
    13  C   -0.040754
    14  C    0.013852
    15  N   -0.727171
    16  C    0.332357
    17  C    0.240608
    18  N   -0.564855
    19  C    0.001316
    20  C   -0.044234
    21  C    0.068831
    22  C   -0.049366
    23  C    0.071666
    24  C    0.071510
    25  C    0.076748
    26  C   -0.033861
    27  C    0.010149
    28  C    0.246970
    29  C    0.010905
    30  C   -0.031446
    31  C   -0.031041
    32  C    0.011213
    33  C    0.246309
    34  C    0.009561
    35  C   -0.035555
    36  C   -0.039352
    37  C    0.009570
    38  C    0.244001
    39  C    0.009764
    40  C   -0.031374
    41  N   -0.732839
    42  N   -0.733056
    43  N   -0.732169
    44  C    0.293220
    45  C    0.040859
    46  C    0.040958
    47  C    0.293268
    48  C    0.293188
    49  C    0.040820
    50  C    0.040932
    51  C    0.293191
    52  C    0.293056
    53  C    0.040833
    54  C    0.040784
    55  C    0.293280
    56  C   -0.047665
    57  C   -0.019367
    58  C   -0.015223
    59  C   -0.018965
    60  C   -0.018022
    61  C   -0.016150
    62  C   -0.019908
    63  C   -0.047690
    64  C   -0.048075
    65  C   -0.020110
    66  C   -0.015950
    67  C   -0.018052
    68  C   -0.018171
    69  C   -0.015595
    70  C   -0.019917
    71  C   -0.048057
    72  C   -0.048269
    73  C   -0.020690
    74  C   -0.017031
    75  C   -0.019294
    76  C   -0.017602
    77  C   -0.015759
    78  C   -0.020304
    79  C   -0.048407
    80  O   -0.560490
    81  P    1.418336
    82  O   -0.571428
    83  O   -0.595343
    84  C    0.321193
    85  C    0.025248
    86  C    0.294211
    87  C    0.035034
   143  Cl  -0.205648
 APT charges:
               1
     1  C    0.235491
     2  C   -0.228114
     3  C    0.165112
     4  C   -0.231535
     5  C    0.003043
     6  C   -0.156780
     7  C    0.213232
     8  C   -0.305953
     9  C    1.162550
    10  C    0.435412
    11  C   -0.278785
    12  C    0.293769
    13  C   -0.173568
    14  C    0.040230
    15  N   -1.197560
    16  C    0.292793
    17  C    0.038595
    18  N   -0.308737
    19  C   -0.094249
    20  C   -0.117525
    21  C    0.053592
    22  C    0.028722
    23  C    0.043160
    24  C    0.029954
    25  C    0.165213
    26  C   -0.013705
    27  C   -0.140264
    28  C    0.634109
    29  C   -0.151596
    30  C   -0.021581
    31  C   -0.023009
    32  C   -0.138632
    33  C    0.635013
    34  C   -0.151418
    35  C   -0.019266
    36  C   -0.058945
    37  C   -0.114921
    38  C    0.619702
    39  C   -0.131237
    40  C   -0.065142
    41  N   -1.011537
    42  N   -1.005611
    43  N   -1.014477
    44  C    0.384166
    45  C   -0.080681
    46  C   -0.083695
    47  C    0.331147
    48  C    0.340540
    49  C   -0.082981
    50  C   -0.084124
    51  C    0.379888
    52  C    0.330061
    53  C   -0.092629
    54  C   -0.082497
    55  C    0.397933
    56  C    0.063850
    57  C   -0.153574
    58  C    0.041103
    59  C   -0.057385
    60  C   -0.074569
    61  C    0.045226
    62  C   -0.151947
    63  C    0.063730
    64  C    0.064426
    65  C   -0.153251
    66  C    0.044412
    67  C   -0.071451
    68  C   -0.062216
    69  C    0.042647
    70  C   -0.154352
    71  C    0.063928
    72  C    0.063968
    73  C   -0.155457
    74  C    0.048619
    75  C   -0.075988
    76  C   -0.055434
    77  C    0.040627
    78  C   -0.156114
    79  C    0.066030
    80  O   -0.824835
    81  P    2.472857
    82  O   -1.068128
    83  O   -1.138321
    84  C    0.539323
    85  C    0.038515
    86  C    0.644734
    87  C    0.024814
    88  H    0.046286
    89  H    0.053419
    90  H    0.030620
    91  H    0.048323
    92  H    0.032200
    93  H    0.049942
    94  H    0.064198
    95  H    0.030651
    96  H    0.070770
    97  H    0.036126
    98  H    0.036858
    99  H    0.040680
   100  H    0.035265
   101  H    0.040886
   102  H    0.036034
   103  H    0.039987
   104  H    0.028142
   105  H    0.040569
   106  H    0.034361
   107  H    0.038777
   108  H    0.036815
   109  H    0.015814
   110  H    0.004229
   111  H    0.013701
   112  H    0.032880
   113  H    0.040659
   114  H    0.011841
   115  H    0.001519
   116  H    0.016881
   117  H    0.016312
   118  H    0.001628
   119  H    0.012336
   120  H    0.039726
   121  H    0.035385
   122  H    0.013420
   123  H    0.003272
   124  H    0.015759
   125  H    0.015979
   126  H    0.000307
   127  H    0.010857
   128  H    0.041047
   129  H    0.034432
   130  H    0.014209
   131  H    0.003040
   132  H    0.015054
   133  H   -0.020514
   134  H   -0.001217
   135  H   -0.009682
   136  H   -0.010138
   137  H   -0.003241
   138  H   -0.051691
   139  H   -0.026125
   140  H    0.003188
   141  H   -0.014218
   142  H    0.001977
   143  Cl  -0.758018
 Sum of APT charges =  -0.00002
 APT charges with hydrogens summed into heavy atoms:
               1
     1  C    0.235491
     2  C   -0.181827
     3  C    0.165112
     4  C   -0.231535
     5  C    0.056462
     6  C   -0.126160
     7  C    0.213232
     8  C   -0.305953
     9  C    1.162550
    10  C    0.435412
    11  C   -0.230462
    12  C    0.293769
    13  C   -0.141367
    14  C    0.090172
    15  N   -1.197560
    16  C    0.292793
    17  C    0.038595
    18  N   -0.308737
    19  C   -0.030051
    20  C   -0.086873
    21  C    0.053592
    22  C    0.099492
    23  C    0.043160
    24  C    0.029954
    25  C    0.165213
    26  C    0.022420
    27  C   -0.103406
    28  C    0.634109
    29  C   -0.110916
    30  C    0.013684
    31  C    0.017876
    32  C   -0.102598
    33  C    0.635013
    34  C   -0.111431
    35  C    0.008876
    36  C   -0.018376
    37  C   -0.080560
    38  C    0.619702
    39  C   -0.092460
    40  C   -0.028326
    41  N   -1.011537
    42  N   -1.005611
    43  N   -1.014477
    44  C    0.384166
    45  C   -0.080681
    46  C   -0.083695
    47  C    0.331147
    48  C    0.340540
    49  C   -0.082981
    50  C   -0.084124
    51  C    0.379888
    52  C    0.330061
    53  C   -0.092629
    54  C   -0.082497
    55  C    0.397933
    56  C    0.079665
    57  C   -0.149345
    58  C    0.054804
    59  C   -0.024506
    60  C   -0.033910
    61  C    0.057067
    62  C   -0.150428
    63  C    0.080611
    64  C    0.080738
    65  C   -0.151623
    66  C    0.056748
    67  C   -0.031724
    68  C   -0.026831
    69  C    0.056067
    70  C   -0.151080
    71  C    0.079687
    72  C    0.079947
    73  C   -0.155150
    74  C    0.059476
    75  C   -0.034941
    76  C   -0.021002
    77  C    0.054835
    78  C   -0.153074
    79  C    0.081084
    80  O   -0.824835
    81  P    2.472857
    82  O   -1.068128
    83  O   -1.138321
    84  C    0.517593
    85  C    0.015455
    86  C    0.566917
    87  C    0.015762
   143  Cl  -0.758018
 Electronic spatial extent (au):  <R**2>=         174264.6181
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.7210    Y=             -3.7808    Z=              0.4268  Tot=              4.6777
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -518.6123   YY=           -471.6149   ZZ=           -520.1968
   XY=            -19.5823   XZ=             18.4058   YZ=            -13.3945
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -15.1376   YY=             31.8598   ZZ=            -16.7222
   XY=            -19.5823   XZ=             18.4058   YZ=            -13.3945
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -106.8993  YYY=           -271.8968  ZZZ=            162.1543  XYY=            162.5316
  XXY=           -124.3281  XXZ=             83.3510  XZZ=            117.2740  YZZ=            -42.2033
  YYZ=             30.1789  XYZ=           -102.1012
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=        -164825.6946 YYYY=         -58720.7603 ZZZZ=         -12994.4879 XXXY=          -1379.6688
 XXXZ=            839.9117 YYYX=           -464.8552 YYYZ=          -1102.8367 ZZZX=            578.8068
 ZZZY=           -714.0694 XXYY=         -37375.9830 XXZZ=         -30452.5401 YYZZ=         -12803.4887
 XXYZ=           -773.4840 YYXZ=            368.4885 ZZXY=             46.8215
 N-N= 1.352428883134D+04 E-N=-3.707989577012D+04  KE= 4.270314984244D+03
  Exact polarizability:1548.124 -35.1141134.796  21.942-120.331 566.250
 Approx polarizability:2008.696 -66.4751746.287  11.710-184.751 910.560
 Calling FoFJK, ICntrl=    100127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.3983   -0.0038   -0.0020    0.0017    0.4758    1.2013
 Low frequencies ---    4.8115    7.5928    9.6622
 Diagonal vibrational polarizability:
      207.2710503     161.5895573     230.8441719
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 and normal coordinates:
                      1                      2                      3
                      A                      A                      A
 Frequencies --      4.8103                 7.5892                 9.6620
 Red. masses --      7.2891                 6.5489                 6.4019
 Frc consts  --      0.0001                 0.0002                 0.0004
 IR Inten    --      0.0573                 0.0093                 0.0264
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.04    -0.00   0.01  -0.07    -0.01   0.01   0.00
     2   6     0.01  -0.01  -0.04    -0.00   0.01  -0.06    -0.01   0.01  -0.01
     3   6     0.00  -0.01  -0.04    -0.01   0.01  -0.06    -0.01   0.01  -0.01
     4   6     0.00  -0.02  -0.05    -0.00   0.01  -0.08    -0.01   0.01  -0.00
     5   6     0.01  -0.02  -0.04    -0.01   0.01  -0.09    -0.01   0.01   0.01
     6   6     0.01  -0.01  -0.04    -0.00   0.01  -0.09    -0.01   0.01   0.02
     7   6     0.00  -0.01  -0.04    -0.01   0.01  -0.05    -0.01   0.01  -0.02
     8   6     0.00  -0.02  -0.06    -0.01   0.02  -0.04    -0.01   0.01  -0.02
     9   6     0.01  -0.02  -0.06    -0.01   0.02  -0.05    -0.02   0.01  -0.01
    10   6     0.00  -0.02  -0.05    -0.01   0.01  -0.07    -0.01   0.01  -0.00
    11   6    -0.01  -0.01  -0.03    -0.01   0.01  -0.05    -0.01   0.01  -0.03
    12   6    -0.01  -0.01  -0.03    -0.01   0.01  -0.03    -0.01   0.01  -0.03
    13   6    -0.01  -0.01  -0.05    -0.01   0.01  -0.02    -0.01   0.01  -0.03
    14   6    -0.00  -0.02  -0.06    -0.01   0.02  -0.03    -0.01   0.01  -0.02
    15   7     0.00  -0.02  -0.07    -0.01   0.03  -0.03    -0.02   0.01  -0.00
    16   6     0.00  -0.02  -0.06    -0.01   0.02  -0.03    -0.02   0.01   0.00
    17   6     0.01  -0.01  -0.05    -0.01   0.01  -0.05    -0.01   0.01   0.00
    18   7     0.00  -0.01  -0.05    -0.00   0.01  -0.07    -0.01   0.01   0.00
    19   6     0.00  -0.02  -0.07    -0.01   0.02  -0.01    -0.02   0.01   0.01
    20   6     0.01  -0.01  -0.06    -0.00   0.02  -0.01    -0.01   0.01   0.01
    21   6     0.01  -0.00  -0.04    -0.00   0.01  -0.03    -0.01   0.00   0.01
    22   6     0.01  -0.01  -0.04    -0.00   0.00  -0.05    -0.01   0.01   0.01
    23   6     0.01  -0.01  -0.03    -0.00   0.02  -0.05    -0.00   0.02   0.01
    24   6    -0.02  -0.01  -0.01    -0.00   0.00  -0.03    -0.00   0.00  -0.04
    25   6     0.01   0.01  -0.02     0.00   0.00  -0.02    -0.01   0.00   0.01
    26   6    -0.04  -0.00  -0.01    -0.00  -0.01  -0.01     0.01   0.00  -0.04
    27   6    -0.05  -0.00   0.01    -0.00  -0.02  -0.01     0.01  -0.02  -0.03
    28   6    -0.04  -0.00   0.04    -0.00  -0.01  -0.02     0.01  -0.04  -0.02
    29   6    -0.02  -0.00   0.04    -0.00  -0.00  -0.03    -0.00  -0.03  -0.02
    30   6    -0.01  -0.00   0.02    -0.01   0.01  -0.04    -0.01  -0.01  -0.03
    31   6     0.01  -0.01  -0.03     0.01   0.02  -0.05    -0.00   0.00   0.04
    32   6     0.02  -0.01  -0.03     0.01   0.01  -0.03     0.01   0.01   0.05
    33   6     0.01  -0.00  -0.03    -0.01   0.01   0.00     0.02   0.04   0.01
    34   6     0.01  -0.00  -0.03    -0.02   0.01   0.01     0.02   0.06  -0.02
    35   6     0.01  -0.01  -0.03    -0.02   0.01  -0.02     0.01   0.05  -0.02
    36   6     0.02   0.02  -0.02     0.01  -0.01   0.01    -0.01   0.00   0.01
    37   6     0.03   0.03   0.00     0.02  -0.02   0.03    -0.01   0.00   0.01
    38   6     0.02   0.03   0.03     0.02  -0.02  -0.00    -0.01   0.00   0.00
    39   6     0.01   0.02   0.03     0.00  -0.00  -0.04    -0.01   0.00   0.00
    40   6     0.01   0.01   0.01    -0.00   0.00  -0.05    -0.01   0.00   0.00
    41   7     0.02  -0.00  -0.03    -0.01   0.01   0.04     0.03   0.06   0.01
    42   7    -0.05  -0.00   0.06    -0.00  -0.02  -0.01     0.01  -0.06  -0.00
    43   7     0.03   0.04   0.05     0.03  -0.03   0.02    -0.01  -0.00  -0.00
    44   6    -0.05  -0.00   0.07     0.00  -0.02   0.01     0.04  -0.07   0.01
    45   6    -0.06   0.00   0.11     0.00  -0.04   0.01     0.04  -0.10   0.02
    46   6    -0.07   0.00   0.11     0.00  -0.04  -0.01     0.00  -0.11   0.02
    47   6    -0.06  -0.00   0.09    -0.00  -0.04  -0.03    -0.01  -0.09   0.00
    48   6     0.02   0.00  -0.02     0.00   0.00   0.09     0.01   0.06  -0.04
    49   6     0.02   0.00  -0.02    -0.01   0.00   0.12     0.04   0.08  -0.02
    50   6     0.02   0.00  -0.03    -0.03   0.00   0.09     0.07   0.09   0.05
    51   6     0.02  -0.00  -0.03    -0.03   0.01   0.04     0.06   0.07   0.06
    52   6     0.04   0.06   0.08     0.05  -0.06  -0.01    -0.02  -0.01  -0.01
    53   6     0.04   0.07   0.10     0.05  -0.06   0.02    -0.02  -0.01  -0.01
    54   6     0.03   0.05   0.09     0.03  -0.03   0.07    -0.01  -0.00  -0.01
    55   6     0.02   0.03   0.06     0.02  -0.01   0.06    -0.01   0.00  -0.00
    56   6    -0.09   0.00   0.14     0.00  -0.06  -0.02    -0.01  -0.14   0.03
    57   6    -0.09   0.00   0.14    -0.00  -0.06  -0.05    -0.05  -0.14   0.03
    58   6    -0.08   0.00   0.12    -0.00  -0.05  -0.06    -0.06  -0.12   0.01
    59   6    -0.07  -0.00   0.09    -0.00  -0.04  -0.05    -0.04  -0.09  -0.00
    60   6    -0.04  -0.00   0.06     0.00  -0.01   0.03     0.07  -0.05   0.00
    61   6    -0.04  -0.00   0.07     0.00  -0.02   0.05     0.10  -0.07   0.02
    62   6    -0.06   0.00   0.10     0.01  -0.03   0.05     0.09  -0.10   0.03
    63   6    -0.07   0.00   0.12     0.00  -0.04   0.03     0.06  -0.12   0.03
    64   6     0.02   0.00  -0.03    -0.05   0.01   0.10     0.10   0.10   0.09
    65   6     0.02  -0.00  -0.03    -0.07   0.01   0.06     0.12   0.11   0.15
    66   6     0.02  -0.01  -0.03    -0.07   0.01   0.01     0.12   0.09   0.16
    67   6     0.02  -0.01  -0.03    -0.05   0.01   0.00     0.09   0.07   0.12
    68   6     0.01   0.00  -0.02     0.03   0.00   0.10    -0.02   0.05  -0.09
    69   6     0.01   0.01  -0.02     0.04  -0.00   0.15    -0.03   0.06  -0.13
    70   6     0.02   0.01  -0.02     0.03  -0.00   0.19    -0.01   0.08  -0.11
    71   6     0.02   0.01  -0.02     0.01  -0.00   0.17     0.03   0.09  -0.06
    72   6     0.03   0.05   0.11     0.03  -0.02   0.11    -0.01   0.00  -0.01
    73   6     0.02   0.03   0.09     0.01   0.01   0.15    -0.01   0.01  -0.00
    74   6     0.01   0.02   0.06    -0.00   0.03   0.15    -0.01   0.01   0.00
    75   6     0.01   0.02   0.05     0.00   0.02   0.10    -0.01   0.01   0.00
    76   6     0.05   0.07   0.08     0.06  -0.08  -0.06    -0.02  -0.01  -0.01
    77   6     0.06   0.09   0.11     0.08  -0.11  -0.08    -0.02  -0.01  -0.02
    78   6     0.06   0.10   0.13     0.08  -0.11  -0.05    -0.02  -0.01  -0.02
    79   6     0.06   0.09   0.13     0.07  -0.08  -0.00    -0.02  -0.01  -0.02
    80   8     0.01  -0.03  -0.07    -0.02   0.05  -0.02    -0.03   0.00  -0.02
    81  15     0.00  -0.03  -0.08    -0.01   0.04  -0.02    -0.02   0.00  -0.01
    82   8     0.01  -0.04  -0.08    -0.02   0.05  -0.01    -0.03  -0.00  -0.00
    83   8     0.00  -0.03  -0.08    -0.01   0.03   0.00    -0.02   0.01  -0.01
    84   6     0.01  -0.05  -0.07    -0.03   0.06  -0.02    -0.04  -0.01   0.00
    85   6     0.01  -0.06  -0.08    -0.04   0.07  -0.01    -0.04  -0.01   0.01
    86   6     0.00  -0.03  -0.09    -0.01   0.04   0.02    -0.02   0.00  -0.02
    87   6     0.00  -0.02  -0.10    -0.00   0.02   0.03    -0.02   0.01  -0.02
    88   1     0.01  -0.01  -0.03    -0.00   0.02  -0.05    -0.01   0.01  -0.02
    89   1     0.01  -0.02  -0.05    -0.01   0.01  -0.10    -0.01   0.01   0.02
    90   1     0.01  -0.01  -0.04    -0.00   0.01  -0.10    -0.01   0.01   0.03
    91   1    -0.01  -0.01  -0.02    -0.01   0.01  -0.05    -0.01   0.01  -0.03
    92   1    -0.01  -0.01  -0.05    -0.01   0.01  -0.01    -0.00   0.01  -0.04
    93   1    -0.00  -0.02  -0.07    -0.01   0.02  -0.02    -0.01   0.01  -0.02
    94   1     0.00  -0.03  -0.08    -0.01   0.03   0.01    -0.02   0.01   0.01
    95   1     0.01  -0.01  -0.06    -0.00   0.02   0.01    -0.02   0.00   0.01
    96   1     0.01   0.00  -0.03    -0.00  -0.00  -0.07    -0.01   0.01   0.01
    97   1    -0.05  -0.01  -0.03    -0.00  -0.01  -0.01     0.01   0.01  -0.04
    98   1    -0.07  -0.00   0.01     0.00  -0.03   0.00     0.02  -0.02  -0.03
    99   1    -0.01  -0.00   0.06    -0.01   0.00  -0.04    -0.01  -0.04  -0.02
   100   1     0.00  -0.01   0.02    -0.01   0.02  -0.05    -0.01  -0.01  -0.03
   101   1     0.02  -0.01  -0.04     0.02   0.02  -0.08    -0.01  -0.02   0.07
   102   1     0.02  -0.01  -0.03     0.02   0.02  -0.03     0.01   0.00   0.07
   103   1     0.01  -0.00  -0.03    -0.04   0.01   0.03     0.02   0.08  -0.04
   104   1     0.00  -0.01  -0.03    -0.03   0.01  -0.02     0.01   0.06  -0.04
   105   1     0.02   0.02  -0.04     0.02  -0.01   0.03    -0.01   0.00   0.01
   106   1     0.03   0.04  -0.00     0.03  -0.03   0.06    -0.01  -0.00   0.01
   107   1     0.01   0.02   0.05     0.00  -0.00  -0.06    -0.01   0.00  -0.00
   108   1     0.00  -0.00   0.01    -0.01   0.01  -0.08    -0.01   0.00   0.00
   109   1    -0.09   0.00   0.16     0.00  -0.06  -0.01    -0.00  -0.16   0.04
   110   1    -0.10   0.00   0.17    -0.00  -0.07  -0.06    -0.06  -0.16   0.04
   111   1    -0.09   0.00   0.12    -0.00  -0.06  -0.08    -0.09  -0.12   0.01
   112   1    -0.06  -0.00   0.07    -0.00  -0.04  -0.06    -0.06  -0.07  -0.01
   113   1    -0.03  -0.00   0.03     0.00  -0.00   0.03     0.08  -0.03  -0.01
   114   1    -0.03  -0.00   0.06     0.01  -0.01   0.07     0.12  -0.06   0.01
   115   1    -0.06   0.00   0.12     0.01  -0.03   0.07     0.12  -0.11   0.04
   116   1    -0.08   0.00   0.14     0.01  -0.05   0.03     0.06  -0.14   0.05
   117   1     0.02   0.00  -0.03    -0.04   0.00   0.13     0.10   0.11   0.08
   118   1     0.03  -0.00  -0.03    -0.08   0.01   0.07     0.15   0.12   0.18
   119   1     0.02  -0.01  -0.03    -0.09   0.02  -0.02     0.14   0.10   0.20
   120   1     0.02  -0.01  -0.03    -0.06   0.02  -0.03     0.08   0.06   0.13
   121   1     0.01   0.00  -0.02     0.03   0.00   0.08    -0.04   0.04  -0.11
   122   1     0.01   0.01  -0.02     0.06  -0.01   0.17    -0.06   0.05  -0.18
   123   1     0.02   0.01  -0.02     0.04  -0.01   0.22    -0.02   0.08  -0.15
   124   1     0.02   0.01  -0.02    -0.00  -0.00   0.19     0.04   0.10  -0.04
   125   1     0.04   0.06   0.13     0.04  -0.03   0.11    -0.02  -0.00  -0.01
   126   1     0.02   0.03   0.10     0.01   0.02   0.18    -0.01   0.01  -0.00
   127   1     0.00   0.00   0.05    -0.02   0.05   0.18    -0.01   0.01   0.01
   128   1     0.00   0.00   0.03    -0.01   0.03   0.10    -0.01   0.01   0.01
   129   1     0.05   0.06   0.06     0.06  -0.08  -0.08    -0.02  -0.01  -0.01
   130   1     0.07   0.10   0.11     0.09  -0.13  -0.11    -0.02  -0.02  -0.02
   131   1     0.07   0.11   0.15     0.10  -0.13  -0.06    -0.02  -0.02  -0.02
   132   1     0.06   0.09   0.15     0.07  -0.09   0.02    -0.02  -0.01  -0.02
   133   1     0.01  -0.05  -0.06    -0.03   0.06  -0.03    -0.03  -0.01   0.00
   134   1     0.01  -0.05  -0.07    -0.03   0.07  -0.02    -0.04  -0.01  -0.01
   135   1     0.01  -0.06  -0.07    -0.04   0.08  -0.01    -0.05  -0.01   0.01
   136   1     0.01  -0.06  -0.08    -0.04   0.07   0.00    -0.05  -0.01   0.00
   137   1     0.01  -0.05  -0.07    -0.03   0.07  -0.00    -0.04  -0.01   0.01
   138   1     0.00  -0.04  -0.10    -0.02   0.05   0.02    -0.03  -0.00  -0.01
   139   1     0.00  -0.03  -0.09    -0.01   0.04   0.02    -0.03   0.00  -0.02
   140   1    -0.00  -0.02  -0.10     0.00   0.02   0.04    -0.01   0.01  -0.01
   141   1     0.00  -0.02  -0.11    -0.00   0.03   0.05    -0.02   0.01  -0.02
   142   1    -0.00  -0.02  -0.10     0.00   0.01   0.03    -0.01   0.01  -0.02
   143  17     0.01  -0.03  -0.05    -0.01   0.05  -0.06    -0.03  -0.00  -0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --      9.8774                10.3480                10.7304
 Red. masses --      5.7538                 5.9046                 5.8800
 Frc consts  --      0.0003                 0.0004                 0.0004
 IR Inten    --      0.0540                 0.0215                 0.0260
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02   0.02    -0.01  -0.00   0.00    -0.00   0.02  -0.00
     2   6     0.00  -0.02   0.02    -0.01  -0.00   0.01     0.00   0.02  -0.00
     3   6     0.00  -0.02   0.02    -0.01  -0.01   0.01     0.00   0.02   0.00
     4   6     0.00  -0.02   0.01    -0.01  -0.01   0.00     0.00   0.03   0.00
     5   6     0.00  -0.02   0.01    -0.01  -0.01  -0.01    -0.00   0.03   0.00
     6   6     0.00  -0.02   0.01    -0.01  -0.01  -0.01    -0.00   0.03   0.00
     7   6    -0.00  -0.02   0.01    -0.01  -0.01   0.01     0.00   0.02  -0.00
     8   6     0.00  -0.02   0.01    -0.01  -0.01   0.01     0.00   0.03  -0.00
     9   6     0.00  -0.02   0.00    -0.01  -0.01   0.01     0.00   0.03   0.00
    10   6    -0.00  -0.02   0.01    -0.01  -0.01   0.00     0.00   0.03   0.00
    11   6    -0.00  -0.02   0.02    -0.01  -0.01   0.01     0.00   0.02   0.00
    12   6    -0.00  -0.02   0.01    -0.01  -0.01   0.01     0.01   0.02  -0.01
    13   6    -0.00  -0.02  -0.00    -0.01  -0.01   0.01     0.01   0.03  -0.02
    14   6     0.00  -0.02  -0.00    -0.01  -0.00   0.01     0.01   0.03  -0.01
    15   7     0.00  -0.02   0.00    -0.01  -0.01   0.00     0.00   0.03   0.00
    16   6     0.00  -0.02   0.01    -0.01  -0.01   0.00     0.00   0.03   0.01
    17   6    -0.00  -0.02   0.00    -0.01  -0.01   0.00     0.00   0.03   0.00
    18   7    -0.00  -0.02   0.00    -0.01  -0.01   0.00     0.00   0.03   0.00
    19   6     0.01  -0.01   0.02    -0.01  -0.01  -0.00     0.00   0.02   0.01
    20   6     0.01  -0.01   0.02    -0.01  -0.01  -0.00     0.00   0.02   0.00
    21   6     0.00  -0.01   0.01    -0.01  -0.01   0.00     0.00   0.02   0.00
    22   6    -0.00  -0.02   0.00    -0.01  -0.01   0.00     0.00   0.02   0.00
    23   6     0.01  -0.02   0.02    -0.01   0.00   0.01    -0.01   0.02  -0.01
    24   6    -0.00  -0.01   0.01    -0.01  -0.01   0.00     0.01   0.02  -0.01
    25   6     0.00  -0.00   0.01    -0.01  -0.00   0.00     0.00   0.01  -0.00
    26   6    -0.01   0.00  -0.01     0.00  -0.00  -0.01     0.01   0.05  -0.04
    27   6    -0.01   0.01  -0.01     0.01  -0.01  -0.01     0.01   0.05  -0.04
    28   6    -0.01  -0.00   0.00     0.00  -0.03  -0.01     0.01   0.01  -0.00
    29   6    -0.00  -0.02   0.02    -0.01  -0.03  -0.00     0.01  -0.02   0.03
    30   6    -0.00  -0.02   0.03    -0.01  -0.02   0.00     0.01  -0.01   0.03
    31   6     0.01  -0.01   0.01     0.02   0.02  -0.03    -0.02   0.02  -0.00
    32   6     0.02  -0.01   0.00     0.03   0.03  -0.03    -0.02   0.01  -0.01
    33   6     0.02  -0.01   0.01     0.01   0.02   0.01    -0.02   0.00  -0.01
    34   6     0.01  -0.01   0.02    -0.02   0.01   0.05    -0.01   0.00  -0.01
    35   6     0.00  -0.02   0.02    -0.03  -0.00   0.05    -0.00   0.01  -0.01
    36   6     0.02  -0.01   0.05    -0.02   0.00  -0.01    -0.01   0.00  -0.00
    37   6     0.02   0.00   0.05    -0.02   0.01  -0.01    -0.00  -0.01  -0.00
    38   6    -0.01   0.01   0.01    -0.02   0.00   0.00     0.01  -0.02  -0.00
    39   6    -0.03   0.02  -0.03    -0.01  -0.00   0.02     0.02  -0.01  -0.00
    40   6    -0.02   0.01  -0.02    -0.01  -0.01   0.02     0.02   0.01  -0.01
    41   7     0.02   0.00  -0.00     0.02   0.04   0.01    -0.03  -0.01  -0.01
    42   7    -0.01   0.01  -0.00     0.01  -0.04  -0.01     0.01   0.01   0.00
    43   7    -0.01   0.03  -0.00    -0.02   0.01   0.00     0.02  -0.03   0.00
    44   6    -0.01   0.01  -0.03     0.03  -0.04  -0.03     0.05  -0.01  -0.06
    45   6    -0.01   0.02  -0.03     0.03  -0.06  -0.04     0.03  -0.01  -0.03
    46   6    -0.02   0.03   0.01     0.01  -0.06  -0.02    -0.01   0.00   0.06
    47   6    -0.02   0.02   0.03    -0.00  -0.04  -0.00    -0.02   0.01   0.08
    48   6     0.02   0.02   0.00     0.03   0.07   0.07    -0.03  -0.02  -0.01
    49   6     0.03   0.02  -0.01     0.05   0.08   0.04    -0.04  -0.03  -0.01
    50   6     0.04   0.01  -0.03     0.04   0.04  -0.04    -0.05  -0.02  -0.01
    51   6     0.03  -0.00  -0.02     0.03   0.01  -0.06    -0.04  -0.01  -0.00
    52   6    -0.03  -0.02  -0.05    -0.02   0.03   0.03     0.04  -0.03   0.00
    53   6    -0.03   0.01  -0.04    -0.02   0.03   0.02     0.04  -0.06   0.00
    54   6    -0.02   0.08   0.02    -0.02   0.01  -0.01     0.02  -0.07   0.00
    55   6    -0.00   0.08   0.04    -0.02  -0.01  -0.02     0.01  -0.05   0.00
    56   6    -0.02   0.04   0.04     0.00  -0.07  -0.01    -0.04   0.01   0.12
    57   6    -0.03   0.05   0.08    -0.02  -0.06   0.01    -0.09   0.02   0.20
    58   6    -0.03   0.04   0.09    -0.03  -0.05   0.02    -0.10   0.03   0.21
    59   6    -0.02   0.03   0.07    -0.02  -0.04   0.01    -0.07   0.03   0.15
    60   6     0.00  -0.01  -0.07     0.04  -0.04  -0.05     0.09  -0.02  -0.14
    61   6     0.00  -0.01  -0.10     0.06  -0.05  -0.07     0.12  -0.03  -0.19
    62   6    -0.00   0.01  -0.09     0.07  -0.06  -0.07     0.11  -0.03  -0.17
    63   6    -0.01   0.02  -0.06     0.05  -0.06  -0.05     0.06  -0.02  -0.08
    64   6     0.05   0.01  -0.04     0.05   0.03  -0.09    -0.06  -0.02  -0.01
    65   6     0.05  -0.01  -0.05     0.04  -0.02  -0.16    -0.07  -0.01  -0.00
    66   6     0.05  -0.02  -0.05     0.02  -0.04  -0.18    -0.06   0.00   0.00
    67   6     0.04  -0.02  -0.03     0.02  -0.03  -0.13    -0.05   0.01  -0.00
    68   6     0.01   0.03   0.02     0.04   0.11   0.14    -0.01  -0.03  -0.01
    69   6     0.01   0.05   0.02     0.05   0.14   0.19    -0.02  -0.05  -0.02
    70   6     0.02   0.05   0.00     0.06   0.15   0.17    -0.03  -0.05  -0.02
    71   6     0.03   0.04  -0.01     0.06   0.11   0.10    -0.04  -0.05  -0.01
    72   6    -0.01   0.13   0.06    -0.02  -0.01  -0.03     0.02  -0.09   0.00
    73   6     0.01   0.19   0.12    -0.02  -0.03  -0.06     0.00  -0.09  -0.00
    74   6     0.02   0.19   0.14    -0.01  -0.04  -0.07    -0.01  -0.08  -0.00
    75   6     0.01   0.14   0.10    -0.01  -0.03  -0.05    -0.01  -0.06  -0.00
    76   6    -0.05  -0.08  -0.11    -0.02   0.05   0.05     0.05  -0.02   0.00
    77   6    -0.07  -0.12  -0.15    -0.02   0.07   0.07     0.06  -0.03   0.00
    78   6    -0.07  -0.09  -0.14    -0.02   0.07   0.07     0.07  -0.05   0.00
    79   6    -0.05  -0.02  -0.09    -0.02   0.05   0.04     0.05  -0.06   0.00
    80   8    -0.00  -0.04  -0.01    -0.01  -0.00   0.01    -0.01   0.02  -0.00
    81  15     0.00  -0.03  -0.00    -0.01  -0.00   0.01    -0.00   0.02   0.00
    82   8    -0.01  -0.03   0.01    -0.01  -0.00   0.00    -0.01   0.02   0.01
    83   8     0.01  -0.02  -0.01    -0.01  -0.01   0.01    -0.00   0.03   0.00
    84   6    -0.02  -0.04   0.01    -0.00  -0.00   0.00    -0.01   0.02   0.01
    85   6    -0.03  -0.05   0.02    -0.00  -0.00  -0.00    -0.01   0.02   0.01
    86   6     0.01  -0.03  -0.01    -0.02  -0.01   0.01    -0.01   0.02  -0.00
    87   6     0.03  -0.02  -0.02    -0.02  -0.01   0.01     0.00   0.03  -0.00
    88   1     0.00  -0.02   0.02    -0.01  -0.00   0.02     0.00   0.02  -0.00
    89   1     0.00  -0.03   0.00    -0.01  -0.01  -0.02    -0.00   0.03   0.01
    90   1     0.00  -0.02   0.01    -0.01  -0.01  -0.02    -0.00   0.03   0.00
    91   1    -0.00  -0.02   0.02    -0.02  -0.01   0.01    -0.00   0.02   0.01
    92   1    -0.00  -0.02  -0.01    -0.01  -0.00   0.00     0.02   0.03  -0.03
    93   1     0.00  -0.02  -0.01    -0.01  -0.00   0.01     0.01   0.03  -0.02
    94   1     0.01  -0.01   0.03    -0.01  -0.01  -0.00    -0.00   0.03   0.01
    95   1     0.01  -0.00   0.03    -0.01  -0.01  -0.01    -0.00   0.02   0.00
    96   1    -0.01  -0.02  -0.00    -0.01  -0.00   0.00     0.01   0.02   0.00
    97   1    -0.01   0.01  -0.02     0.01   0.01  -0.01     0.01   0.08  -0.07
    98   1    -0.01   0.02  -0.03     0.02  -0.00  -0.02     0.01   0.07  -0.07
    99   1    -0.00  -0.03   0.04    -0.01  -0.05   0.00     0.01  -0.04   0.06
   100   1     0.00  -0.04   0.04    -0.02  -0.03   0.01     0.01  -0.03   0.05
   101   1     0.02  -0.01   0.00     0.03   0.02  -0.05    -0.02   0.03  -0.00
   102   1     0.03  -0.00  -0.01     0.05   0.04  -0.06    -0.03   0.01  -0.00
   103   1     0.00  -0.01   0.02    -0.03  -0.00   0.08    -0.01  -0.00  -0.01
   104   1    -0.00  -0.02   0.03    -0.05  -0.02   0.08     0.01   0.01  -0.01
   105   1     0.05  -0.01   0.08    -0.02   0.00  -0.03    -0.02   0.00  -0.00
   106   1     0.04   0.00   0.08    -0.02   0.01  -0.03    -0.01  -0.02  -0.00
   107   1    -0.05   0.02  -0.06    -0.01  -0.00   0.04     0.03  -0.01  -0.00
   108   1    -0.04   0.01  -0.05    -0.01  -0.01   0.03     0.02   0.01  -0.01
   109   1    -0.02   0.05   0.03     0.01  -0.07  -0.02    -0.03   0.00   0.11
   110   1    -0.04   0.06   0.10    -0.02  -0.07   0.01    -0.11   0.03   0.25
   111   1    -0.03   0.05   0.12    -0.05  -0.05   0.03    -0.13   0.05   0.28
   112   1    -0.02   0.03   0.08    -0.03  -0.03   0.02    -0.08   0.04   0.16
   113   1     0.00  -0.02  -0.08     0.04  -0.03  -0.04     0.10  -0.02  -0.16
   114   1     0.01  -0.02  -0.13     0.08  -0.05  -0.08     0.15  -0.04  -0.26
   115   1     0.00   0.00  -0.12     0.08  -0.07  -0.08     0.13  -0.04  -0.21
   116   1    -0.01   0.03  -0.05     0.05  -0.07  -0.06     0.06  -0.02  -0.06
   117   1     0.05   0.01  -0.05     0.06   0.04  -0.08    -0.07  -0.03  -0.01
   118   1     0.06  -0.01  -0.07     0.04  -0.03  -0.21    -0.08  -0.01  -0.00
   119   1     0.05  -0.03  -0.05     0.02  -0.07  -0.24    -0.07   0.01   0.00
   120   1     0.04  -0.03  -0.02     0.01  -0.05  -0.14    -0.04   0.02   0.00
   121   1     0.01   0.03   0.03     0.03   0.10   0.15    -0.01  -0.02  -0.01
   122   1     0.01   0.05   0.03     0.05   0.17   0.25    -0.01  -0.05  -0.02
   123   1     0.02   0.06   0.01     0.07   0.18   0.21    -0.03  -0.07  -0.02
   124   1     0.04   0.04  -0.02     0.07   0.12   0.08    -0.05  -0.05  -0.01
   125   1    -0.02   0.13   0.04    -0.02   0.00  -0.02     0.03  -0.10   0.00
   126   1     0.02   0.23   0.15    -0.02  -0.04  -0.07    -0.00  -0.11  -0.00
   127   1     0.04   0.24   0.18    -0.01  -0.06  -0.09    -0.02  -0.08  -0.00
   128   1     0.02   0.15   0.12    -0.01  -0.04  -0.05    -0.01  -0.04  -0.00
   129   1    -0.05  -0.11  -0.11    -0.02   0.05   0.06     0.05  -0.00   0.00
   130   1    -0.08  -0.17  -0.19    -0.02   0.09   0.10     0.07  -0.02   0.00
   131   1    -0.08  -0.11  -0.18    -0.03   0.09   0.08     0.08  -0.05   0.00
   132   1    -0.05   0.00  -0.08    -0.02   0.05   0.04     0.06  -0.08   0.00
   133   1    -0.02  -0.04   0.02    -0.00  -0.00  -0.00    -0.01   0.02   0.01
   134   1    -0.02  -0.05   0.00    -0.00   0.00   0.00    -0.01   0.02   0.00
   135   1    -0.03  -0.06   0.02     0.00  -0.00  -0.00    -0.02   0.02   0.01
   136   1    -0.03  -0.06   0.01    -0.00  -0.00   0.00    -0.01   0.02   0.01
   137   1    -0.02  -0.05   0.03    -0.00  -0.01  -0.00    -0.01   0.02   0.01
   138   1     0.01  -0.02  -0.01    -0.01  -0.01   0.01    -0.01   0.02   0.00
   139   1     0.01  -0.03  -0.02    -0.01  -0.00   0.01    -0.01   0.03  -0.01
   140   1     0.03  -0.01  -0.01    -0.02  -0.01   0.00     0.00   0.03   0.01
   141   1     0.03  -0.02  -0.02    -0.02  -0.01   0.01    -0.00   0.03  -0.00
   142   1     0.03  -0.02  -0.02    -0.02  -0.01   0.01     0.01   0.03  -0.01
   143  17     0.00  -0.03   0.01    -0.01  -0.00   0.00    -0.00   0.02   0.00
                      7                      8                      9
                      A                      A                      A
 Frequencies --     16.1680                16.8519                22.4714
 Red. masses --      5.6677                 5.8485                 4.1678
 Frc consts  --      0.0009                 0.0010                 0.0012
 IR Inten    --      0.0519                 0.0149                 0.1557
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.05     0.00  -0.03  -0.09    -0.03  -0.03   0.01
     2   6    -0.03  -0.01   0.05    -0.00  -0.03  -0.07    -0.02  -0.03   0.00
     3   6    -0.02  -0.01   0.04    -0.00  -0.03  -0.06    -0.02  -0.02  -0.01
     4   6    -0.03  -0.01   0.02    -0.00  -0.04  -0.08    -0.02  -0.01  -0.02
     5   6    -0.03  -0.01   0.02     0.00  -0.04  -0.11    -0.03  -0.01  -0.01
     6   6    -0.04  -0.01   0.03     0.00  -0.04  -0.12    -0.04  -0.02  -0.00
     7   6    -0.02  -0.01   0.05    -0.00  -0.03  -0.02    -0.00  -0.02  -0.01
     8   6    -0.01  -0.01   0.04    -0.01  -0.03   0.00     0.01  -0.01  -0.02
     9   6    -0.01  -0.00   0.02    -0.00  -0.02  -0.02     0.00  -0.00  -0.02
    10   6    -0.02  -0.00   0.00    -0.00  -0.03  -0.05    -0.01  -0.00  -0.02
    11   6    -0.02  -0.02   0.06    -0.01  -0.04  -0.00    -0.00  -0.03  -0.01
    12   6    -0.02  -0.02   0.07    -0.01  -0.05   0.03     0.01  -0.03  -0.01
    13   6    -0.02  -0.01   0.07    -0.01  -0.04   0.05     0.02  -0.02  -0.02
    14   6    -0.02  -0.01   0.06    -0.01  -0.03   0.04     0.02  -0.01  -0.03
    15   7     0.00   0.00  -0.00    -0.00  -0.01  -0.00     0.01   0.01  -0.02
    16   6    -0.01  -0.00  -0.04    -0.00  -0.02  -0.01     0.01   0.02  -0.00
    17   6    -0.03  -0.00  -0.05    -0.00  -0.04  -0.03    -0.01   0.02  -0.01
    18   7    -0.03  -0.00  -0.02    -0.00  -0.04  -0.06    -0.01   0.01  -0.02
    19   6    -0.01  -0.00  -0.07    -0.00  -0.02   0.01     0.02   0.04   0.02
    20   6    -0.02  -0.00  -0.10     0.00  -0.03   0.01     0.01   0.05   0.02
    21   6    -0.03   0.00  -0.09     0.00  -0.03  -0.01    -0.00   0.04  -0.00
    22   6    -0.04  -0.00  -0.07    -0.00  -0.04  -0.03    -0.01   0.03  -0.02
    23   6    -0.04  -0.01   0.05     0.01  -0.03  -0.09    -0.04  -0.03   0.02
    24   6    -0.02  -0.02   0.07    -0.01  -0.05   0.04     0.01  -0.04   0.00
    25   6    -0.04   0.00  -0.10     0.00  -0.03  -0.00    -0.00   0.04  -0.01
    26   6    -0.01  -0.02   0.06    -0.02  -0.05   0.04     0.00  -0.04  -0.00
    27   6    -0.00  -0.02   0.05    -0.02  -0.04   0.03    -0.00  -0.03   0.00
    28   6    -0.01  -0.02   0.04    -0.02  -0.03   0.03     0.00  -0.03   0.01
    29   6    -0.02  -0.02   0.05    -0.01  -0.04   0.04     0.01  -0.03   0.01
    30   6    -0.02  -0.02   0.06    -0.01  -0.05   0.04     0.01  -0.04   0.01
    31   6    -0.03  -0.01   0.05     0.02  -0.03  -0.08    -0.03  -0.03   0.03
    32   6    -0.03  -0.01   0.05     0.03  -0.03  -0.06    -0.03  -0.03   0.03
    33   6    -0.03  -0.00   0.04     0.02  -0.02  -0.05    -0.03  -0.02   0.03
    34   6    -0.03  -0.01   0.05     0.01  -0.01  -0.06    -0.04  -0.02   0.03
    35   6    -0.04  -0.01   0.05     0.00  -0.02  -0.08    -0.04  -0.03   0.03
    36   6    -0.03   0.00  -0.10     0.01  -0.02  -0.00    -0.01   0.04  -0.00
    37   6    -0.03   0.00  -0.08     0.01  -0.01  -0.00    -0.00   0.03  -0.00
    38   6    -0.02  -0.00  -0.07    -0.00  -0.01   0.00     0.00   0.03  -0.01
    39   6    -0.03   0.00  -0.09    -0.01  -0.02   0.00     0.00   0.04  -0.02
    40   6    -0.04   0.00  -0.10    -0.01  -0.03   0.00    -0.00   0.04  -0.02
    41   7    -0.02   0.01   0.02     0.02  -0.01  -0.03    -0.02  -0.01   0.02
    42   7    -0.00  -0.01   0.02    -0.02  -0.01   0.01    -0.00  -0.01   0.00
    43   7    -0.01  -0.01  -0.04    -0.01   0.00  -0.00     0.01   0.02  -0.01
    44   6    -0.00  -0.01  -0.01    -0.03  -0.01  -0.03    -0.02  -0.01   0.00
    45   6     0.01  -0.01  -0.04    -0.02   0.01  -0.04    -0.02   0.01   0.00
    46   6     0.02  -0.00  -0.04    -0.01   0.03  -0.01    -0.01   0.02   0.00
    47   6     0.01  -0.01   0.00    -0.01   0.01   0.02     0.01   0.00   0.00
    48   6    -0.03   0.02  -0.01     0.03  -0.01  -0.02    -0.02   0.02   0.01
    49   6    -0.01   0.03  -0.03     0.04   0.00   0.03    -0.00   0.03  -0.00
    50   6     0.01   0.02  -0.02     0.04   0.01   0.06     0.01   0.01  -0.00
    51   6     0.01   0.01   0.01     0.03   0.01   0.02     0.01  -0.01   0.01
    52   6     0.03  -0.01  -0.02    -0.02   0.03   0.02     0.03   0.01  -0.01
    53   6     0.04  -0.00   0.04    -0.03   0.05   0.02     0.03  -0.02  -0.01
    54   6     0.01  -0.01   0.06    -0.01   0.04  -0.00     0.01  -0.03  -0.01
    55   6    -0.02  -0.01   0.01    -0.00   0.01  -0.02    -0.00  -0.01  -0.01
    56   6     0.04   0.00  -0.06    -0.00   0.05  -0.00     0.00   0.03   0.00
    57   6     0.04   0.00  -0.05     0.01   0.06   0.03     0.02   0.03   0.01
    58   6     0.03   0.00  -0.01     0.01   0.04   0.07     0.03   0.02   0.01
    59   6     0.02  -0.00   0.02     0.00   0.02   0.06     0.03   0.00   0.01
    60   6    -0.02  -0.02  -0.00    -0.04  -0.03  -0.05    -0.04  -0.02  -0.00
    61   6    -0.01  -0.02  -0.04    -0.05  -0.03  -0.10    -0.05  -0.01  -0.00
    62   6     0.00  -0.01  -0.07    -0.04  -0.00  -0.11    -0.05   0.01  -0.00
    63   6     0.01  -0.01  -0.07    -0.03   0.02  -0.08    -0.04   0.02  -0.00
    64   6     0.03   0.02  -0.03     0.05   0.03   0.11     0.04   0.01  -0.01
    65   6     0.05   0.01  -0.01     0.05   0.04   0.12     0.05  -0.01  -0.01
    66   6     0.04  -0.01   0.02     0.04   0.03   0.08     0.04  -0.03   0.00
    67   6     0.02  -0.01   0.03     0.03   0.01   0.03     0.02  -0.03   0.01
    68   6    -0.05   0.03  -0.01     0.02  -0.03  -0.05    -0.05   0.03   0.01
    69   6    -0.06   0.05  -0.04     0.03  -0.02  -0.03    -0.05   0.05  -0.00
    70   6    -0.04   0.05  -0.06     0.04  -0.01   0.02    -0.03   0.06  -0.01
    71   6    -0.02   0.05  -0.06     0.04   0.00   0.05    -0.01   0.05  -0.01
    72   6    -0.00  -0.01   0.11    -0.01   0.05  -0.01     0.01  -0.05  -0.01
    73   6    -0.04  -0.01   0.12     0.01   0.04  -0.03    -0.01  -0.06  -0.01
    74   6    -0.07  -0.01   0.08     0.02   0.01  -0.05    -0.02  -0.04  -0.01
    75   6    -0.06  -0.01   0.02     0.01  -0.00  -0.04    -0.02  -0.01  -0.01
    76   6     0.06  -0.00  -0.05    -0.03   0.03   0.04     0.04   0.03  -0.01
    77   6     0.10   0.00  -0.03    -0.05   0.05   0.06     0.06   0.02  -0.01
    78   6     0.10   0.00   0.03    -0.05   0.08   0.06     0.06  -0.01  -0.01
    79   6     0.08  -0.00   0.06    -0.04   0.07   0.04     0.05  -0.03  -0.01
    80   8     0.05   0.02   0.05    -0.00   0.04   0.05    -0.00  -0.02  -0.04
    81  15     0.03   0.01   0.01    -0.00   0.02   0.04     0.01   0.01  -0.01
    82   8     0.07   0.01  -0.03    -0.00   0.06   0.03    -0.02   0.04   0.02
    83   8     0.00   0.00  -0.00     0.00  -0.00   0.08     0.06   0.02   0.00
    84   6     0.11   0.04  -0.04     0.00   0.10   0.01    -0.08  -0.00   0.04
    85   6     0.17   0.09  -0.09     0.01   0.13   0.02    -0.17  -0.08   0.10
    86   6     0.02   0.00   0.01     0.01   0.02   0.13     0.11   0.03   0.01
    87   6    -0.03  -0.01   0.00     0.02  -0.02   0.17     0.27   0.04   0.05
    88   1    -0.03  -0.02   0.07    -0.00  -0.02  -0.05    -0.02  -0.04   0.01
    89   1    -0.03  -0.00   0.00     0.00  -0.05  -0.12    -0.03  -0.00  -0.02
    90   1    -0.04  -0.01   0.03     0.01  -0.04  -0.14    -0.05  -0.01   0.00
    91   1    -0.03  -0.02   0.07    -0.01  -0.05  -0.01    -0.01  -0.04   0.00
    92   1    -0.02  -0.01   0.08    -0.02  -0.05   0.08     0.03  -0.02  -0.03
    93   1    -0.01  -0.01   0.05    -0.01  -0.03   0.05     0.02  -0.01  -0.03
    94   1    -0.00  -0.00  -0.07    -0.00  -0.01   0.03     0.03   0.05   0.04
    95   1    -0.02  -0.00  -0.11     0.00  -0.02   0.02     0.02   0.07   0.04
    96   1    -0.05   0.00  -0.07     0.00  -0.05  -0.05    -0.02   0.02  -0.03
    97   1    -0.01  -0.02   0.07    -0.02  -0.05   0.04    -0.00  -0.04  -0.00
    98   1     0.00  -0.02   0.05    -0.02  -0.04   0.03    -0.01  -0.03   0.00
    99   1    -0.02  -0.03   0.04    -0.01  -0.03   0.03     0.01  -0.03   0.01
   100   1    -0.03  -0.03   0.06    -0.01  -0.05   0.04     0.01  -0.04   0.01
   101   1    -0.03  -0.02   0.05     0.03  -0.04  -0.09    -0.03  -0.04   0.02
   102   1    -0.03  -0.01   0.04     0.04  -0.03  -0.05    -0.02  -0.03   0.03
   103   1    -0.03  -0.00   0.04     0.00   0.00  -0.06    -0.04  -0.02   0.03
   104   1    -0.04  -0.01   0.06    -0.01  -0.01  -0.08    -0.05  -0.02   0.03
   105   1    -0.04   0.00  -0.11     0.02  -0.03  -0.00    -0.01   0.04   0.01
   106   1    -0.02   0.00  -0.08     0.01  -0.01  -0.00    -0.01   0.02   0.00
   107   1    -0.03  -0.00  -0.08    -0.02  -0.02   0.01     0.00   0.04  -0.03
   108   1    -0.04   0.00  -0.11    -0.01  -0.03   0.00    -0.00   0.05  -0.03
   109   1     0.04   0.00  -0.09    -0.01   0.06  -0.03    -0.01   0.04   0.00
   110   1     0.06   0.01  -0.07     0.01   0.08   0.04     0.03   0.05   0.01
   111   1     0.04   0.00   0.00     0.02   0.05   0.09     0.05   0.02   0.01
   112   1     0.01  -0.01   0.05     0.01   0.01   0.08     0.03  -0.01   0.01
   113   1    -0.03  -0.02   0.02    -0.04  -0.05  -0.04    -0.03  -0.03  -0.00
   114   1    -0.02  -0.03  -0.04    -0.06  -0.04  -0.12    -0.06  -0.02  -0.01
   115   1     0.00  -0.01  -0.10    -0.05   0.00  -0.14    -0.07   0.02  -0.00
   116   1     0.03  -0.00  -0.10    -0.03   0.04  -0.10    -0.04   0.03  -0.00
   117   1     0.03   0.03  -0.05     0.05   0.04   0.14     0.04   0.03  -0.02
   118   1     0.06   0.00  -0.02     0.05   0.05   0.17     0.07  -0.01  -0.01
   119   1     0.06  -0.02   0.03     0.04   0.04   0.10     0.06  -0.04   0.01
   120   1     0.02  -0.02   0.05     0.02   0.01  -0.00     0.01  -0.04   0.02
   121   1    -0.06   0.03   0.01     0.01  -0.04  -0.09    -0.06   0.02   0.02
   122   1    -0.08   0.05  -0.04     0.02  -0.03  -0.06    -0.07   0.06   0.00
   123   1    -0.05   0.07  -0.09     0.04  -0.01   0.03    -0.03   0.08  -0.02
   124   1    -0.01   0.05  -0.08     0.05   0.01   0.09     0.01   0.06  -0.02
   125   1     0.02  -0.01   0.15    -0.02   0.07  -0.01     0.01  -0.07  -0.01
   126   1    -0.05  -0.01   0.16     0.01   0.04  -0.04    -0.02  -0.08  -0.02
   127   1    -0.10  -0.02   0.09     0.03  -0.00  -0.06    -0.04  -0.05  -0.01
   128   1    -0.08  -0.02  -0.01     0.02  -0.02  -0.04    -0.03   0.00  -0.01
   129   1     0.05  -0.00  -0.10    -0.03   0.01   0.03     0.04   0.05  -0.01
   130   1     0.12   0.01  -0.05    -0.05   0.06   0.07     0.07   0.03  -0.01
   131   1     0.13   0.01   0.04    -0.06   0.09   0.07     0.08  -0.01  -0.01
   132   1     0.08  -0.00   0.10    -0.04   0.09   0.04     0.05  -0.05  -0.01
   133   1     0.08   0.03  -0.07    -0.01   0.09  -0.02    -0.03   0.00   0.08
   134   1     0.14   0.03   0.01     0.00   0.10   0.02    -0.12   0.02  -0.04
   135   1     0.21   0.11  -0.10     0.01   0.16   0.00    -0.21  -0.11   0.12
   136   1     0.21   0.09  -0.07     0.01   0.14   0.05    -0.23  -0.09   0.06
   137   1     0.15   0.10  -0.15     0.00   0.12   0.01    -0.13  -0.11   0.18
   138   1     0.05   0.01  -0.02     0.00   0.05   0.13     0.05   0.09   0.07
   139   1     0.03   0.01   0.05     0.01   0.03   0.13     0.09  -0.04  -0.06
   140   1    -0.05  -0.01  -0.04     0.02  -0.03   0.16     0.29   0.11   0.13
   141   1    -0.02  -0.00   0.01     0.02  -0.01   0.21     0.30   0.05   0.06
   142   1    -0.06  -0.01   0.03     0.02  -0.06   0.16     0.33  -0.01  -0.01
   143  17     0.03   0.00   0.02     0.01   0.04  -0.04    -0.01  -0.00  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --     26.9414                28.6330                31.4313
 Red. masses --      3.8647                 4.9625                 3.4615
 Frc consts  --      0.0017                 0.0024                 0.0020
 IR Inten    --      0.1215                 0.1697                 0.1659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.01     0.01  -0.00   0.04     0.01   0.02  -0.00
     2   6    -0.02  -0.02  -0.02     0.01  -0.00   0.01     0.00   0.02   0.01
     3   6    -0.01  -0.02  -0.02     0.01  -0.00   0.00    -0.00   0.01   0.02
     4   6    -0.01  -0.01  -0.01     0.01  -0.00   0.01     0.00   0.00   0.02
     5   6    -0.02  -0.01  -0.00     0.01  -0.00   0.04     0.01   0.00   0.02
     6   6    -0.03  -0.01  -0.00     0.01   0.00   0.05     0.02   0.01   0.01
     7   6    -0.00  -0.02  -0.02     0.01  -0.00  -0.02    -0.01   0.01   0.02
     8   6     0.00  -0.01  -0.02     0.00  -0.01  -0.01    -0.02   0.01   0.01
     9   6    -0.01  -0.01  -0.01    -0.00  -0.01   0.01    -0.01  -0.01   0.01
    10   6    -0.01   0.00   0.00     0.00  -0.01   0.01    -0.01  -0.00   0.02
    11   6     0.01  -0.03  -0.03     0.02   0.01  -0.05    -0.02   0.02   0.03
    12   6     0.01  -0.03  -0.03     0.02   0.01  -0.06    -0.03   0.02   0.03
    13   6     0.02  -0.02  -0.03     0.01   0.00  -0.04    -0.04   0.02   0.02
    14   6     0.01  -0.01  -0.02     0.00  -0.01  -0.01    -0.03   0.01   0.01
    15   7    -0.00   0.00   0.00    -0.00  -0.01   0.01    -0.01  -0.01  -0.00
    16   6     0.00   0.02   0.01    -0.00  -0.02   0.00    -0.01  -0.01  -0.00
    17   6     0.00   0.02   0.03    -0.00  -0.03  -0.01    -0.01  -0.01   0.01
    18   7    -0.00   0.01   0.02     0.00  -0.02  -0.00    -0.00  -0.00   0.02
    19   6     0.00   0.02   0.02    -0.01  -0.03  -0.00    -0.01  -0.01  -0.01
    20   6     0.01   0.03   0.04    -0.01  -0.04  -0.02    -0.01  -0.01  -0.00
    21   6     0.01   0.04   0.05    -0.01  -0.05  -0.03    -0.01  -0.01   0.00
    22   6     0.00   0.03   0.05    -0.00  -0.04  -0.02    -0.01  -0.01   0.01
    23   6    -0.03  -0.03   0.00     0.01  -0.00   0.05     0.02   0.02  -0.02
    24   6     0.01  -0.03  -0.03     0.02   0.02  -0.09    -0.03   0.03   0.03
    25   6     0.01   0.04   0.06    -0.01  -0.05  -0.04    -0.01  -0.01   0.01
    26   6     0.01  -0.03  -0.03     0.03   0.02  -0.09    -0.03   0.03   0.03
    27   6     0.01  -0.03  -0.03     0.03   0.03  -0.11    -0.03   0.03   0.03
    28   6     0.01  -0.02  -0.03     0.03   0.03  -0.11    -0.03   0.03   0.03
    29   6     0.01  -0.02  -0.02     0.02   0.03  -0.11    -0.03   0.03   0.03
    30   6     0.01  -0.03  -0.03     0.02   0.03  -0.10    -0.03   0.03   0.03
    31   6    -0.03  -0.03   0.01     0.01  -0.01   0.06     0.02   0.03  -0.03
    32   6    -0.02  -0.03   0.01     0.00  -0.01   0.06     0.02   0.03  -0.04
    33   6    -0.02  -0.02   0.01     0.01  -0.00   0.05     0.02   0.03  -0.04
    34   6    -0.03  -0.02   0.01     0.01  -0.00   0.05     0.03   0.02  -0.04
    35   6    -0.03  -0.02   0.00     0.01   0.00   0.04     0.02   0.02  -0.03
    36   6     0.01   0.04   0.06    -0.01  -0.05  -0.04    -0.01  -0.01   0.00
    37   6     0.01   0.04   0.07    -0.01  -0.05  -0.05    -0.01  -0.01   0.00
    38   6     0.01   0.04   0.07    -0.02  -0.05  -0.05    -0.01  -0.01   0.01
    39   6     0.02   0.04   0.07    -0.02  -0.05  -0.05    -0.01  -0.01   0.01
    40   6     0.01   0.04   0.07    -0.01  -0.05  -0.04    -0.01  -0.01   0.01
    41   7    -0.02  -0.01   0.00     0.01  -0.00   0.05     0.01   0.02  -0.03
    42   7     0.00  -0.01  -0.02     0.03   0.02  -0.10    -0.03   0.02   0.03
    43   7     0.01   0.03   0.06    -0.02  -0.04  -0.05    -0.01  -0.01   0.01
    44   6    -0.01  -0.01  -0.01     0.02   0.02  -0.04    -0.01   0.01   0.02
    45   6    -0.02   0.01   0.01    -0.01   0.02   0.04     0.01  -0.01  -0.02
    46   6    -0.01   0.01   0.01    -0.03   0.01   0.03    -0.00  -0.02  -0.02
    47   6     0.00  -0.00  -0.01    -0.01   0.01  -0.05    -0.03  -0.00   0.01
    48   6    -0.02   0.01   0.01     0.00  -0.00   0.03     0.02  -0.00  -0.02
    49   6    -0.00   0.02   0.01    -0.00  -0.01  -0.01     0.01  -0.01   0.00
    50   6     0.01   0.01   0.01     0.00  -0.02  -0.02    -0.01   0.01   0.00
    51   6     0.00  -0.01   0.00     0.01  -0.01   0.02    -0.01   0.02  -0.02
    52   6     0.01   0.00   0.03    -0.02  -0.02  -0.02    -0.01  -0.01   0.01
    53   6     0.00  -0.03  -0.02    -0.02   0.02   0.02    -0.01  -0.01   0.00
    54   6     0.01  -0.03  -0.02    -0.01   0.02   0.02    -0.01  -0.00   0.00
    55   6     0.01   0.01   0.03    -0.01  -0.01  -0.02    -0.01  -0.00   0.01
    56   6    -0.02   0.03   0.03    -0.07   0.00   0.09     0.00  -0.04  -0.05
    57   6    -0.01   0.03   0.03    -0.08  -0.00   0.07    -0.01  -0.04  -0.05
    58   6     0.01   0.01   0.01    -0.05   0.00  -0.01    -0.04  -0.02  -0.02
    59   6     0.02  -0.00  -0.01    -0.02   0.01  -0.07    -0.04  -0.00   0.01
    60   6    -0.02  -0.02  -0.02     0.04   0.03  -0.05    -0.00   0.02   0.03
    61   6    -0.04  -0.01  -0.01     0.03   0.03   0.01     0.02   0.01   0.00
    62   6    -0.05   0.01   0.02    -0.00   0.03   0.09     0.04  -0.01  -0.03
    63   6    -0.04   0.02   0.02    -0.02   0.02   0.10     0.03  -0.02  -0.04
    64   6     0.03   0.01   0.01    -0.00  -0.03  -0.05    -0.03   0.01   0.02
    65   6     0.04  -0.01   0.00     0.00  -0.03  -0.05    -0.04   0.03   0.02
    66   6     0.03  -0.02   0.00     0.01  -0.03  -0.01    -0.04   0.04  -0.01
    67   6     0.01  -0.03   0.00     0.01  -0.02   0.02    -0.02   0.04  -0.02
    68   6    -0.03   0.02   0.01    -0.00   0.00   0.04     0.04  -0.01  -0.02
    69   6    -0.03   0.04   0.01    -0.01  -0.00   0.01     0.04  -0.03  -0.00
    70   6    -0.02   0.05   0.01    -0.01  -0.01  -0.03     0.03  -0.03   0.02
    71   6    -0.00   0.04   0.01    -0.01  -0.02  -0.04     0.01  -0.02   0.02
    72   6     0.01  -0.06  -0.06    -0.01   0.06   0.05    -0.01  -0.00   0.00
    73   6     0.01  -0.05  -0.05    -0.01   0.05   0.05    -0.01   0.00   0.00
    74   6     0.02  -0.01  -0.00    -0.01   0.01   0.00    -0.01  -0.00   0.01
    75   6     0.02   0.02   0.04    -0.01  -0.02  -0.03    -0.01  -0.00   0.01
    76   6     0.00   0.01   0.04    -0.02  -0.02  -0.03    -0.02  -0.01   0.01
    77   6    -0.01  -0.02  -0.00    -0.02   0.01   0.01    -0.02  -0.01   0.00
    78   6    -0.01  -0.06  -0.05    -0.02   0.05   0.05    -0.02  -0.01   0.00
    79   6    -0.01  -0.07  -0.06    -0.01   0.06   0.06    -0.02  -0.01   0.00
    80   8     0.01  -0.01  -0.01    -0.01   0.01   0.03    -0.00  -0.03  -0.01
    81  15     0.00  -0.00  -0.01    -0.01   0.00   0.03    -0.01  -0.02  -0.01
    82   8     0.01  -0.01  -0.01    -0.01   0.02   0.03    -0.00  -0.03  -0.02
    83   8     0.00   0.00  -0.02     0.00  -0.01   0.06    -0.00  -0.01  -0.03
    84   6     0.03   0.02  -0.03    -0.01   0.05   0.01    -0.00  -0.07   0.00
    85   6     0.18   0.21  -0.13     0.05   0.13  -0.01     0.10   0.03  -0.08
    86   6     0.01  -0.00  -0.03     0.02   0.01   0.09     0.06  -0.01  -0.03
    87   6     0.01   0.01  -0.03     0.14  -0.01   0.15     0.30   0.03   0.02
    88   1    -0.02  -0.03  -0.02     0.01  -0.00   0.00     0.00   0.03   0.00
    89   1    -0.02   0.00   0.01     0.01  -0.00   0.04     0.01  -0.01   0.02
    90   1    -0.03  -0.01   0.00     0.01   0.00   0.07     0.03   0.01   0.00
    91   1     0.00  -0.03  -0.03     0.03   0.01  -0.06    -0.02   0.03   0.03
    92   1     0.02  -0.02  -0.03     0.01   0.00  -0.04    -0.04   0.02   0.02
    93   1     0.01  -0.01  -0.02    -0.01  -0.01   0.01    -0.03   0.00   0.01
    94   1     0.00   0.01   0.00    -0.01  -0.02   0.01    -0.01  -0.02  -0.01
    95   1     0.01   0.03   0.04    -0.01  -0.04  -0.02    -0.01  -0.02  -0.01
    96   1     0.00   0.04   0.06    -0.00  -0.04  -0.03    -0.01  -0.00   0.02
    97   1     0.01  -0.03  -0.03     0.03   0.02  -0.09    -0.03   0.03   0.03
    98   1     0.00  -0.03  -0.03     0.03   0.03  -0.11    -0.03   0.03   0.03
    99   1     0.01  -0.02  -0.02     0.02   0.03  -0.12    -0.03   0.03   0.03
   100   1     0.02  -0.03  -0.03     0.02   0.02  -0.10    -0.03   0.03   0.03
   101   1    -0.03  -0.03   0.01     0.00  -0.01   0.06     0.02   0.03  -0.03
   102   1    -0.02  -0.03   0.01     0.00  -0.01   0.07     0.02   0.03  -0.04
   103   1    -0.03  -0.02   0.01     0.01   0.00   0.04     0.03   0.02  -0.04
   104   1    -0.03  -0.02   0.00     0.01   0.00   0.03     0.03   0.02  -0.03
   105   1     0.01   0.04   0.06    -0.01  -0.05  -0.04    -0.01  -0.01  -0.00
   106   1     0.01   0.04   0.07    -0.01  -0.05  -0.05    -0.01  -0.01   0.00
   107   1     0.02   0.04   0.07    -0.02  -0.05  -0.05    -0.01  -0.01   0.02
   108   1     0.01   0.04   0.07    -0.01  -0.05  -0.04    -0.01  -0.01   0.02
   109   1    -0.03   0.04   0.05    -0.08   0.00   0.16     0.02  -0.05  -0.08
   110   1    -0.01   0.04   0.05    -0.10  -0.00   0.12    -0.01  -0.05  -0.07
   111   1     0.02   0.01   0.01    -0.06  -0.00  -0.02    -0.05  -0.02  -0.02
   112   1     0.03  -0.01  -0.02    -0.00   0.01  -0.13    -0.06   0.01   0.04
   113   1    -0.01  -0.03  -0.04     0.07   0.03  -0.11    -0.02   0.03   0.05
   114   1    -0.04  -0.01  -0.01     0.05   0.04   0.01     0.03   0.01   0.01
   115   1    -0.06   0.02   0.03    -0.01   0.03   0.14     0.06  -0.02  -0.05
   116   1    -0.05   0.03   0.04    -0.05   0.02   0.16     0.05  -0.04  -0.07
   117   1     0.04   0.02   0.01    -0.01  -0.03  -0.08    -0.03   0.00   0.04
   118   1     0.05  -0.00   0.00     0.00  -0.04  -0.07    -0.05   0.03   0.03
   119   1     0.04  -0.04  -0.00     0.01  -0.03  -0.01    -0.05   0.05  -0.01
   120   1     0.00  -0.04  -0.00     0.02  -0.01   0.05    -0.02   0.05  -0.04
   121   1    -0.05   0.01   0.00     0.00   0.01   0.06     0.05  -0.01  -0.04
   122   1    -0.05   0.04   0.01    -0.01   0.00   0.02     0.06  -0.04  -0.01
   123   1    -0.02   0.06   0.02    -0.02  -0.01  -0.05     0.03  -0.05   0.03
   124   1     0.01   0.05   0.01    -0.01  -0.02  -0.07     0.00  -0.03   0.04
   125   1     0.00  -0.09  -0.10    -0.01   0.09   0.09    -0.01  -0.00   0.00
   126   1     0.01  -0.07  -0.08    -0.01   0.07   0.07    -0.01   0.00   0.00
   127   1     0.02  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00   0.01
   128   1     0.02   0.05   0.07    -0.02  -0.05  -0.06    -0.00  -0.00   0.01
   129   1     0.00   0.04   0.08    -0.02  -0.05  -0.06    -0.02  -0.01   0.01
   130   1    -0.01  -0.02   0.01    -0.02   0.00   0.00    -0.02  -0.01   0.01
   131   1    -0.01  -0.09  -0.08    -0.02   0.07   0.08    -0.02  -0.01   0.00
   132   1    -0.01  -0.10  -0.10    -0.01   0.09   0.09    -0.02  -0.00  -0.00
   133   1    -0.16   0.01  -0.06    -0.07   0.04  -0.01    -0.13  -0.06   0.02
   134   1     0.10  -0.12   0.08     0.02   0.01   0.05     0.04  -0.17   0.06
   135   1     0.19   0.22  -0.14     0.05   0.15  -0.02     0.10   0.01  -0.06
   136   1     0.38   0.21  -0.10     0.12   0.13   0.01     0.23   0.02  -0.09
   137   1     0.11   0.35  -0.24     0.02   0.18  -0.05     0.05   0.15  -0.13
   138   1     0.00  -0.01  -0.02    -0.03   0.06   0.14    -0.05   0.06   0.07
   139   1     0.01  -0.01  -0.03     0.00  -0.02   0.04     0.02  -0.11  -0.16
   140   1     0.01   0.01  -0.03     0.16   0.01   0.21     0.34   0.12   0.16
   141   1     0.02   0.00  -0.04     0.14   0.00   0.18     0.34   0.03   0.01
   142   1     0.02   0.01  -0.04     0.19  -0.06   0.09     0.41  -0.03  -0.09
   143  17    -0.03  -0.01  -0.01    -0.02  -0.01  -0.00    -0.00  -0.02   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --     34.2065                41.4955                46.2803
 Red. masses --      5.8884                 3.6291                 2.6372
 Frc consts  --      0.0041                 0.0037                 0.0033
 IR Inten    --      0.0530                 0.0800                 0.4402
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.02    -0.01  -0.01   0.01     0.01  -0.01  -0.00
     2   6     0.02   0.01   0.01    -0.01  -0.01   0.02     0.00  -0.01   0.01
     3   6     0.01   0.01  -0.03    -0.01  -0.01   0.02    -0.00  -0.01   0.00
     4   6     0.01  -0.00  -0.07    -0.01  -0.01   0.01    -0.00  -0.02  -0.01
     5   6     0.02  -0.00  -0.06    -0.01  -0.01   0.00     0.01  -0.02  -0.01
     6   6     0.02   0.01  -0.02    -0.01  -0.01   0.00     0.01  -0.02  -0.01
     7   6    -0.00   0.01  -0.03    -0.01  -0.01   0.03    -0.00  -0.01   0.01
     8   6    -0.01   0.00  -0.04    -0.02  -0.01   0.03    -0.01  -0.02   0.01
     9   6     0.01  -0.00  -0.07    -0.00  -0.01   0.01    -0.00  -0.02  -0.00
    10   6     0.01  -0.01  -0.08    -0.01  -0.01   0.00    -0.01  -0.02  -0.01
    11   6    -0.02   0.02  -0.00    -0.01   0.00   0.02    -0.01  -0.01   0.01
    12   6    -0.03   0.02   0.01    -0.02   0.00   0.03    -0.02  -0.00   0.01
    13   6    -0.03   0.01  -0.00    -0.03  -0.01   0.05    -0.03  -0.01   0.02
    14   6    -0.02   0.00  -0.03    -0.03  -0.01   0.05    -0.02  -0.02   0.02
    15   7    -0.00  -0.01  -0.06    -0.00  -0.02  -0.02     0.00  -0.02   0.00
    16   6    -0.00  -0.01  -0.05    -0.01  -0.02  -0.04     0.01  -0.01   0.01
    17   6     0.01  -0.02  -0.06    -0.01  -0.01  -0.02    -0.00  -0.01  -0.01
    18   7     0.01  -0.02  -0.08    -0.01  -0.01  -0.00    -0.01  -0.02  -0.02
    19   6    -0.00  -0.02  -0.03    -0.01  -0.03  -0.08     0.02   0.02   0.04
    20   6     0.01  -0.02  -0.01    -0.01  -0.02  -0.07     0.02   0.03   0.04
    21   6     0.02  -0.02  -0.01    -0.01   0.00  -0.03     0.00   0.01   0.01
    22   6     0.02  -0.02  -0.04    -0.01   0.00  -0.01    -0.01  -0.01  -0.01
    23   6     0.02   0.02   0.07    -0.01  -0.01  -0.00     0.02  -0.00  -0.00
    24   6    -0.04   0.02   0.03    -0.02   0.01  -0.00    -0.02   0.01   0.00
    25   6     0.03  -0.02   0.03    -0.01   0.02  -0.00    -0.00   0.02  -0.00
    26   6    -0.05   0.01   0.03    -0.01   0.02  -0.00    -0.02   0.01   0.00
    27   6    -0.05   0.01   0.05    -0.00   0.03  -0.03    -0.02   0.02  -0.01
    28   6    -0.05   0.01   0.05    -0.01   0.03  -0.05    -0.02   0.03  -0.02
    29   6    -0.04   0.02   0.05    -0.02   0.04  -0.05    -0.02   0.03  -0.02
    30   6    -0.04   0.02   0.03    -0.02   0.03  -0.03    -0.02   0.02  -0.01
    31   6     0.03   0.01   0.08    -0.01  -0.00  -0.01     0.03  -0.00  -0.00
    32   6     0.03   0.01   0.12    -0.01  -0.00  -0.02     0.03   0.00   0.00
    33   6     0.02   0.01   0.14    -0.01  -0.01  -0.02     0.03   0.01   0.00
    34   6     0.00   0.02   0.13    -0.01  -0.01  -0.01     0.02   0.01   0.00
    35   6     0.01   0.02   0.09    -0.01  -0.01  -0.00     0.02   0.00   0.00
    36   6     0.05  -0.02   0.05     0.00   0.04  -0.01     0.01   0.03   0.02
    37   6     0.05  -0.01   0.06     0.01   0.05   0.02     0.00   0.03   0.01
    38   6     0.04  -0.01   0.06     0.00   0.05   0.06    -0.01   0.04  -0.01
    39   6     0.03  -0.01   0.06    -0.00   0.03   0.07    -0.03   0.04  -0.03
    40   6     0.03  -0.02   0.04    -0.01   0.02   0.04    -0.02   0.03  -0.03
    41   7     0.02   0.02   0.14    -0.01  -0.01  -0.03     0.03   0.00   0.01
    42   7    -0.05   0.01   0.06    -0.00   0.02  -0.06    -0.02   0.02  -0.01
    43   7     0.03   0.01   0.06     0.01   0.06   0.07    -0.01   0.04  -0.00
    44   6    -0.02   0.00   0.03     0.01   0.02  -0.03    -0.01   0.02  -0.01
    45   6     0.00  -0.02  -0.03    -0.01   0.00   0.00    -0.01  -0.00  -0.01
    46   6    -0.01  -0.02  -0.03    -0.03  -0.00  -0.00    -0.02  -0.01  -0.01
    47   6    -0.04  -0.00   0.02    -0.02   0.01  -0.04    -0.03   0.01  -0.01
    48   6     0.00   0.00   0.07    -0.00  -0.00  -0.02     0.03  -0.01   0.01
    49   6    -0.02  -0.03  -0.04     0.00   0.00   0.00     0.02  -0.02  -0.01
    50   6    -0.01  -0.03  -0.03     0.00   0.00   0.01     0.01  -0.01  -0.00
    51   6     0.02  -0.00   0.07    -0.00  -0.00  -0.01     0.02   0.00   0.01
    52   6     0.01  -0.00   0.04     0.00   0.03   0.04     0.01   0.03  -0.01
    53   6    -0.00  -0.01  -0.00     0.00  -0.02  -0.01     0.01   0.00  -0.01
    54   6     0.02   0.00  -0.02     0.00  -0.01  -0.01    -0.01  -0.01  -0.01
    55   6     0.04   0.01   0.02     0.00   0.03   0.04    -0.02   0.02  -0.00
    56   6     0.01  -0.04  -0.07    -0.05  -0.02   0.02    -0.03  -0.02  -0.01
    57   6    -0.00  -0.04  -0.07    -0.06  -0.02   0.01    -0.05  -0.03  -0.02
    58   6    -0.03  -0.02  -0.01    -0.06  -0.01  -0.02    -0.06  -0.01  -0.02
    59   6    -0.05  -0.00   0.03    -0.04   0.00  -0.05    -0.05   0.01  -0.02
    60   6    -0.02   0.01   0.04     0.02   0.03  -0.03     0.00   0.02  -0.00
    61   6     0.00  -0.00  -0.00     0.03   0.02  -0.00     0.02   0.02   0.00
    62   6     0.03  -0.02  -0.06     0.02   0.01   0.03     0.02   0.00   0.00
    63   6     0.03  -0.03  -0.07     0.00  -0.00   0.03     0.01  -0.01  -0.00
    64   6    -0.02  -0.06  -0.12     0.01   0.01   0.02    -0.00  -0.01  -0.01
    65   6    -0.01  -0.06  -0.10     0.01   0.01   0.02    -0.00  -0.01  -0.01
    66   6     0.01  -0.03   0.01     0.00  -0.00  -0.00     0.00   0.01   0.00
    67   6     0.03  -0.00   0.10    -0.00  -0.01  -0.02     0.01   0.01   0.01
    68   6    -0.00   0.02   0.09    -0.01  -0.01  -0.02     0.04  -0.01   0.01
    69   6    -0.03  -0.00  -0.00    -0.00  -0.00  -0.01     0.04  -0.02  -0.00
    70   6    -0.04  -0.03  -0.11     0.00   0.01   0.01     0.02  -0.03  -0.01
    71   6    -0.04  -0.04  -0.13     0.00   0.01   0.02     0.02  -0.03  -0.01
    72   6     0.03   0.00  -0.06    -0.00  -0.05  -0.05    -0.01  -0.03  -0.01
    73   6     0.06   0.01  -0.06    -0.00  -0.04  -0.03    -0.03  -0.03  -0.01
    74   6     0.08   0.01  -0.02    -0.00   0.01   0.02    -0.04  -0.01   0.00
    75   6     0.07   0.01   0.02     0.00   0.05   0.06    -0.03   0.02   0.00
    76   6    -0.01  -0.01   0.06     0.00   0.04   0.05     0.02   0.05  -0.01
    77   6    -0.04  -0.02   0.03     0.00  -0.00   0.00     0.04   0.03  -0.01
    78   6    -0.05  -0.02  -0.01    -0.00  -0.05  -0.05     0.05   0.01  -0.02
    79   6    -0.03  -0.01  -0.03    -0.00  -0.06  -0.06     0.03  -0.01  -0.01
    80   8    -0.02   0.03  -0.04     0.05   0.02   0.05     0.00  -0.03  -0.01
    81  15    -0.02   0.02  -0.03     0.03  -0.00   0.00     0.01  -0.01   0.01
    82   8    -0.02   0.04  -0.03     0.07   0.01  -0.04    -0.02   0.02   0.03
    83   8    -0.01  -0.00   0.00    -0.00  -0.03   0.02     0.04   0.00   0.01
    84   6    -0.02   0.07  -0.04     0.14   0.08  -0.08    -0.08  -0.07   0.07
    85   6    -0.04   0.07  -0.02    -0.00  -0.11   0.01     0.00   0.04   0.02
    86   6    -0.03   0.01   0.03     0.04  -0.00   0.07     0.18   0.02   0.05
    87   6     0.01  -0.02   0.07     0.03  -0.04   0.10    -0.08  -0.02  -0.00
    88   1     0.02   0.02   0.04    -0.01  -0.00   0.02     0.00  -0.00   0.01
    89   1     0.02  -0.01  -0.09    -0.01  -0.01  -0.00     0.01  -0.03  -0.02
    90   1     0.02   0.01  -0.02    -0.01  -0.01  -0.01     0.02  -0.02  -0.02
    91   1    -0.02   0.02   0.01    -0.00   0.01   0.01    -0.00   0.00   0.01
    92   1    -0.04   0.01   0.01    -0.04  -0.01   0.06    -0.03  -0.01   0.02
    93   1    -0.02  -0.00  -0.03    -0.04  -0.02   0.06    -0.03  -0.03   0.02
    94   1    -0.01  -0.01  -0.03    -0.02  -0.04  -0.11     0.03   0.03   0.06
    95   1     0.00  -0.02   0.01    -0.01  -0.03  -0.10     0.02   0.04   0.06
    96   1     0.03  -0.02  -0.04    -0.01   0.01   0.01    -0.02  -0.01  -0.03
    97   1    -0.05   0.01   0.03    -0.01   0.01   0.02    -0.02   0.00   0.01
    98   1    -0.06   0.01   0.05     0.00   0.03  -0.03    -0.02   0.02  -0.00
    99   1    -0.04   0.02   0.05    -0.02   0.04  -0.07    -0.02   0.04  -0.03
   100   1    -0.03   0.03   0.03    -0.03   0.03  -0.03    -0.02   0.02  -0.01
   101   1     0.05   0.00   0.06    -0.01   0.00  -0.01     0.03  -0.01  -0.00
   102   1     0.04  -0.00   0.13    -0.01   0.00  -0.03     0.04   0.00   0.00
   103   1    -0.01   0.02   0.15    -0.00  -0.02  -0.01     0.02   0.01   0.01
   104   1    -0.00   0.03   0.09    -0.00  -0.02   0.00     0.01   0.00   0.00
   105   1     0.05  -0.02   0.04     0.01   0.04  -0.04     0.02   0.02   0.04
   106   1     0.06  -0.01   0.07     0.02   0.06   0.01     0.01   0.03   0.02
   107   1     0.02  -0.01   0.06    -0.01   0.03   0.10    -0.04   0.05  -0.05
   108   1     0.01  -0.02   0.02    -0.02   0.00   0.05    -0.03   0.03  -0.04
   109   1     0.03  -0.05  -0.12    -0.05  -0.03   0.05    -0.02  -0.03  -0.01
   110   1     0.01  -0.05  -0.10    -0.08  -0.04   0.03    -0.05  -0.04  -0.02
   111   1    -0.04  -0.02  -0.01    -0.08  -0.01  -0.03    -0.07  -0.01  -0.02
   112   1    -0.07   0.01   0.07    -0.04   0.01  -0.08    -0.06   0.02  -0.02
   113   1    -0.04   0.02   0.08     0.03   0.04  -0.05     0.00   0.04  -0.00
   114   1     0.00  -0.00   0.01     0.05   0.03  -0.00     0.03   0.02   0.01
   115   1     0.05  -0.03  -0.09     0.03   0.01   0.05     0.03  -0.00   0.00
   116   1     0.05  -0.04  -0.11    -0.01  -0.01   0.05     0.01  -0.02  -0.00
   117   1    -0.04  -0.08  -0.21     0.01   0.01   0.04    -0.01  -0.02  -0.02
   118   1    -0.02  -0.08  -0.16     0.01   0.01   0.03    -0.01  -0.01  -0.02
   119   1     0.02  -0.03   0.03    -0.00  -0.00  -0.00    -0.00   0.01   0.00
   120   1     0.05   0.02   0.18    -0.01  -0.01  -0.03     0.02   0.02   0.02
   121   1     0.01   0.04   0.17    -0.01  -0.01  -0.03     0.05  -0.00   0.02
   122   1    -0.03   0.00   0.01    -0.00  -0.00  -0.01     0.04  -0.03   0.00
   123   1    -0.06  -0.05  -0.18     0.01   0.01   0.03     0.02  -0.04  -0.02
   124   1    -0.06  -0.07  -0.21     0.01   0.01   0.03     0.01  -0.04  -0.02
   125   1     0.01  -0.00  -0.09    -0.00  -0.09  -0.09    -0.00  -0.05  -0.01
   126   1     0.06   0.01  -0.09    -0.01  -0.07  -0.06    -0.03  -0.05  -0.01
   127   1     0.10   0.02  -0.03    -0.00   0.02   0.03    -0.05  -0.01   0.01
   128   1     0.09   0.02   0.05     0.00   0.08   0.09    -0.04   0.04   0.01
   129   1    -0.01  -0.01   0.09     0.01   0.07   0.09     0.02   0.07  -0.01
   130   1    -0.06  -0.03   0.04     0.00   0.00   0.01     0.05   0.05  -0.02
   131   1    -0.07  -0.03  -0.03    -0.00  -0.08  -0.09     0.06  -0.00  -0.02
   132   1    -0.03  -0.02  -0.06    -0.00  -0.09  -0.10     0.03  -0.03  -0.01
   133   1    -0.01   0.06  -0.06     0.38   0.06  -0.12    -0.24  -0.05   0.12
   134   1    -0.03   0.09  -0.05     0.07   0.30  -0.13    -0.04  -0.22   0.09
   135   1    -0.04   0.09  -0.04     0.06  -0.05  -0.02    -0.05  -0.02   0.05
   136   1    -0.06   0.07  -0.00    -0.25  -0.09   0.06     0.17   0.02  -0.04
   137   1    -0.03   0.04  -0.02     0.07  -0.35   0.06    -0.04   0.21   0.00
   138   1    -0.05   0.03   0.06     0.07   0.05   0.05     0.36   0.04  -0.12
   139   1    -0.04   0.02   0.01     0.06  -0.00   0.11     0.27   0.03   0.29
   140   1     0.03  -0.02   0.10     0.01  -0.04   0.06    -0.20  -0.01  -0.26
   141   1     0.00  -0.00   0.10     0.06  -0.02   0.15     0.04  -0.00   0.03
   142   1     0.04  -0.04   0.05    -0.00  -0.09   0.13    -0.29  -0.06   0.18
   143  17     0.03   0.04  -0.06     0.04  -0.01   0.01     0.00  -0.01   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --     48.9607                51.2208                53.1880
 Red. masses --      5.2906                 4.4719                 2.7930
 Frc consts  --      0.0075                 0.0069                 0.0047
 IR Inten    --      0.0077                 0.1673                 0.8034
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.00     0.02  -0.00   0.04    -0.01   0.02   0.02
     2   6    -0.00   0.01  -0.02     0.02  -0.01  -0.02    -0.01   0.01  -0.02
     3   6    -0.01  -0.00  -0.01     0.02  -0.01  -0.01    -0.00   0.02  -0.01
     4   6    -0.01  -0.01   0.01     0.02   0.00   0.05    -0.00   0.02   0.02
     5   6     0.01  -0.01   0.03     0.02   0.01   0.11    -0.01   0.02   0.05
     6   6     0.02   0.00   0.03     0.02   0.01   0.11    -0.01   0.02   0.05
     7   6    -0.01  -0.00  -0.02     0.02  -0.01  -0.05    -0.00   0.01  -0.03
     8   6    -0.01  -0.00  -0.01     0.02  -0.01  -0.05    -0.00   0.01  -0.02
     9   6    -0.01  -0.01   0.01     0.01  -0.02  -0.02    -0.01   0.01  -0.00
    10   6    -0.01  -0.01   0.02     0.02   0.00   0.04    -0.00   0.02   0.01
    11   6    -0.00  -0.01  -0.02     0.02   0.00  -0.06     0.00   0.01  -0.04
    12   6     0.00  -0.02  -0.02     0.01   0.00  -0.06     0.01   0.01  -0.03
    13   6     0.01  -0.01  -0.01     0.01  -0.00  -0.07     0.01   0.01  -0.03
    14   6    -0.00  -0.00  -0.00     0.01  -0.01  -0.06     0.00   0.01  -0.02
    15   7    -0.01  -0.01   0.01     0.01  -0.02  -0.01    -0.01   0.01  -0.01
    16   6    -0.01  -0.01   0.00     0.01  -0.01   0.01    -0.01   0.00  -0.02
    17   6    -0.01  -0.00   0.01     0.02   0.01   0.05    -0.00   0.01   0.01
    18   7    -0.01  -0.00   0.02     0.02   0.02   0.07     0.00   0.02   0.02
    19   6    -0.01  -0.01  -0.01     0.01  -0.01  -0.02    -0.02  -0.01  -0.04
    20   6    -0.01  -0.00  -0.02     0.01  -0.01  -0.01    -0.02  -0.01  -0.04
    21   6    -0.02   0.01   0.00     0.01   0.01   0.02    -0.01  -0.00  -0.01
    22   6    -0.02   0.01   0.02     0.02   0.02   0.05     0.00   0.01   0.01
    23   6     0.04   0.04   0.01     0.01  -0.01   0.02    -0.01   0.02   0.01
    24   6     0.01  -0.04  -0.01    -0.00   0.01  -0.03     0.01  -0.01  -0.02
    25   6    -0.02   0.02  -0.00     0.01   0.02   0.01     0.00  -0.02  -0.00
    26   6     0.02  -0.05   0.00    -0.04   0.01  -0.02     0.00  -0.02  -0.00
    27   6     0.03  -0.08   0.01    -0.05   0.01   0.02     0.00  -0.03   0.01
    28   6     0.02  -0.08  -0.00    -0.04   0.03   0.05     0.00  -0.03   0.02
    29   6     0.01  -0.08  -0.01    -0.00   0.04   0.04     0.01  -0.03   0.01
    30   6     0.00  -0.05  -0.02     0.01   0.03  -0.00     0.01  -0.01  -0.01
    31   6     0.06   0.03   0.03    -0.02  -0.03   0.07    -0.02   0.01   0.03
    32   6     0.08   0.05   0.03    -0.03  -0.04   0.05    -0.02   0.01   0.02
    33   6     0.08   0.08   0.03     0.01  -0.03  -0.02    -0.01   0.02  -0.01
    34   6     0.06   0.10  -0.01     0.04  -0.01  -0.07     0.00   0.03  -0.02
    35   6     0.04   0.08  -0.02     0.05   0.00  -0.05     0.00   0.03  -0.02
    36   6    -0.02   0.04  -0.02    -0.01   0.02  -0.03    -0.02  -0.02  -0.02
    37   6    -0.03   0.06  -0.02    -0.02   0.03  -0.05    -0.01  -0.04  -0.01
    38   6    -0.04   0.06  -0.00    -0.01   0.02  -0.03     0.02  -0.05   0.02
    39   6    -0.04   0.04   0.01     0.01   0.02   0.00     0.03  -0.04   0.04
    40   6    -0.03   0.03   0.02     0.01   0.01   0.02     0.03  -0.03   0.03
    41   7     0.08   0.08   0.06     0.00  -0.03  -0.04    -0.01   0.02  -0.01
    42   7     0.02  -0.07  -0.02    -0.05   0.03   0.08     0.00  -0.03   0.02
    43   7    -0.03   0.06   0.02    -0.01   0.02  -0.03     0.01  -0.05   0.01
    44   6    -0.02  -0.06  -0.02    -0.03   0.02   0.05    -0.01  -0.03   0.01
    45   6    -0.03  -0.02   0.00     0.00  -0.00  -0.01    -0.01  -0.01  -0.00
    46   6     0.00  -0.00   0.02    -0.01  -0.01  -0.02     0.00  -0.00   0.01
    47   6     0.03  -0.04   0.00    -0.04   0.01   0.04     0.01  -0.02   0.02
    48   6     0.08   0.03   0.03     0.01  -0.02  -0.02    -0.01   0.02  -0.00
    49   6     0.03  -0.02  -0.02     0.02  -0.01   0.01    -0.01   0.02   0.00
    50   6    -0.01   0.01  -0.02     0.02  -0.02   0.00    -0.02   0.02  -0.00
    51   6     0.02   0.07   0.03     0.01  -0.03  -0.03    -0.02   0.02  -0.01
    52   6    -0.01   0.04  -0.00     0.01   0.02  -0.03    -0.01  -0.04   0.01
    53   6    -0.01  -0.01  -0.01     0.01   0.01  -0.01    -0.01  -0.01   0.01
    54   6    -0.03  -0.01  -0.00    -0.00   0.00  -0.00     0.01   0.00   0.01
    55   6    -0.05   0.03   0.02    -0.01   0.01  -0.01     0.02  -0.02   0.00
    56   6     0.01   0.03   0.04     0.01  -0.02  -0.07     0.01   0.01   0.00
    57   6     0.04   0.04   0.04    -0.00  -0.02  -0.06     0.03   0.01   0.01
    58   6     0.08   0.00   0.03    -0.04  -0.00   0.00     0.04   0.00   0.02
    59   6     0.07  -0.04   0.00    -0.06   0.02   0.06     0.03  -0.01   0.02
    60   6    -0.04  -0.08  -0.04    -0.03   0.03   0.07    -0.02  -0.04   0.00
    61   6    -0.08  -0.06  -0.04     0.00   0.01   0.02    -0.04  -0.03  -0.01
    62   6    -0.09  -0.02  -0.01     0.03  -0.01  -0.04    -0.04  -0.01  -0.02
    63   6    -0.07   0.00   0.01     0.03  -0.02  -0.06    -0.02  -0.00  -0.01
    64   6    -0.07  -0.01  -0.07     0.03  -0.01   0.02    -0.03   0.02  -0.00
    65   6    -0.09   0.03  -0.06     0.03  -0.02   0.00    -0.03   0.02  -0.01
    66   6    -0.05   0.09  -0.00     0.02  -0.03  -0.02    -0.03   0.03  -0.01
    67   6     0.00   0.11   0.04     0.01  -0.04  -0.04    -0.02   0.03  -0.01
    68   6     0.13   0.01   0.05     0.01  -0.02  -0.02    -0.00   0.02  -0.00
    69   6     0.12  -0.05   0.01     0.02  -0.01   0.01    -0.00   0.01   0.01
    70   6     0.06  -0.09  -0.04     0.03   0.00   0.05    -0.01   0.01   0.01
    71   6     0.02  -0.08  -0.06     0.03   0.00   0.05    -0.01   0.01   0.01
    72   6    -0.04  -0.05  -0.00    -0.01  -0.01   0.01     0.01   0.03   0.01
    73   6    -0.07  -0.05   0.01    -0.02  -0.00   0.02     0.03   0.03   0.00
    74   6    -0.08  -0.00   0.03    -0.04   0.00   0.01     0.05   0.00  -0.00
    75   6    -0.07   0.03   0.03    -0.03   0.01  -0.01     0.04  -0.03  -0.01
    76   6     0.01   0.06  -0.00     0.02   0.02  -0.03    -0.03  -0.06   0.01
    77   6     0.03   0.03  -0.02     0.04   0.02  -0.03    -0.05  -0.04   0.02
    78   6     0.03  -0.02  -0.04     0.04   0.01  -0.02    -0.05  -0.01   0.02
    79   6     0.02  -0.03  -0.03     0.03  -0.00  -0.01    -0.03   0.01   0.02
    80   8    -0.00  -0.01   0.01    -0.01  -0.04  -0.04     0.01   0.00  -0.01
    81  15    -0.00  -0.01   0.01     0.00  -0.02  -0.01     0.00   0.00  -0.01
    82   8     0.00  -0.01  -0.00    -0.02   0.02   0.01     0.01   0.00  -0.02
    83   8    -0.01  -0.01   0.01     0.04  -0.03   0.03     0.01   0.01  -0.02
    84   6     0.04   0.04  -0.04    -0.01   0.15  -0.07     0.03   0.02  -0.03
    85   6    -0.01   0.00  -0.00    -0.09   0.15   0.02     0.00  -0.02  -0.01
    86   6    -0.06  -0.02   0.00    -0.04  -0.02   0.04     0.23   0.04   0.05
    87   6     0.02  -0.01   0.02    -0.04  -0.05   0.06     0.00   0.00   0.01
    88   1    -0.01   0.02  -0.04     0.01  -0.01  -0.07    -0.01   0.01  -0.04
    89   1     0.02  -0.02   0.05     0.02   0.02   0.16    -0.01   0.03   0.08
    90   1     0.03   0.00   0.04     0.02   0.01   0.16    -0.01   0.03   0.08
    91   1    -0.01  -0.02  -0.03     0.02   0.01  -0.05     0.00   0.01  -0.04
    92   1     0.01  -0.01  -0.01     0.01  -0.00  -0.07     0.01   0.01  -0.02
    93   1     0.00   0.00   0.00     0.01  -0.01  -0.06     0.00   0.01  -0.01
    94   1    -0.01  -0.02  -0.03     0.00  -0.03  -0.05    -0.02  -0.02  -0.06
    95   1    -0.01  -0.00  -0.03     0.01  -0.01  -0.04    -0.02  -0.02  -0.05
    96   1    -0.02   0.01   0.03     0.02   0.04   0.08     0.01   0.02   0.03
    97   1     0.03  -0.05   0.00    -0.05  -0.01  -0.04     0.00  -0.02  -0.01
    98   1     0.04  -0.08   0.01    -0.08   0.01   0.03     0.00  -0.04   0.02
    99   1     0.01  -0.08  -0.02     0.01   0.05   0.06     0.01  -0.03   0.01
   100   1    -0.01  -0.05  -0.02     0.04   0.03  -0.01     0.01  -0.00  -0.02
   101   1     0.06  -0.00   0.04    -0.05  -0.05   0.12    -0.03   0.01   0.05
   102   1     0.10   0.04   0.06    -0.06  -0.05   0.08    -0.03   0.01   0.03
   103   1     0.06   0.13  -0.01     0.07   0.01  -0.12     0.01   0.04  -0.04
   104   1     0.03   0.09  -0.04     0.08   0.02  -0.09     0.01   0.04  -0.03
   105   1    -0.02   0.04  -0.04    -0.02   0.03  -0.05    -0.04  -0.01  -0.05
   106   1    -0.03   0.07  -0.04    -0.03   0.03  -0.07    -0.02  -0.04  -0.03
   107   1    -0.05   0.04   0.03     0.01   0.01   0.02     0.06  -0.05   0.06
   108   1    -0.04   0.01   0.03     0.03   0.01   0.05     0.04  -0.03   0.05
   109   1    -0.02   0.06   0.05     0.04  -0.04  -0.11     0.01   0.02  -0.01
   110   1     0.05   0.06   0.06     0.01  -0.04  -0.10     0.04   0.03   0.01
   111   1     0.11   0.00   0.03    -0.05  -0.00   0.01     0.05   0.00   0.02
   112   1     0.10  -0.06  -0.01    -0.08   0.03   0.10     0.03  -0.02   0.03
   113   1    -0.03  -0.12  -0.06    -0.05   0.04   0.11    -0.03  -0.05   0.01
   114   1    -0.10  -0.08  -0.05     0.00   0.02   0.03    -0.05  -0.04  -0.02
   115   1    -0.12  -0.01  -0.01     0.06  -0.02  -0.08    -0.04  -0.01  -0.03
   116   1    -0.08   0.04   0.03     0.06  -0.03  -0.11    -0.02   0.01  -0.02
   117   1    -0.09  -0.06  -0.11     0.04   0.00   0.04    -0.03   0.01  -0.00
   118   1    -0.13   0.01  -0.09     0.04  -0.01   0.01    -0.03   0.02  -0.01
   119   1    -0.07   0.12   0.01     0.02  -0.04  -0.03    -0.03   0.03  -0.01
   120   1     0.03   0.16   0.08     0.00  -0.05  -0.06    -0.02   0.03  -0.01
   121   1     0.17   0.05   0.09     0.00  -0.03  -0.05    -0.00   0.02  -0.01
   122   1     0.15  -0.06   0.03     0.02  -0.01   0.01     0.00   0.01   0.01
   123   1     0.06  -0.14  -0.07     0.04   0.01   0.07    -0.00   0.01   0.02
   124   1    -0.03  -0.12  -0.10     0.03   0.01   0.07    -0.02   0.01   0.01
   125   1    -0.03  -0.08  -0.02     0.00  -0.01   0.02     0.00   0.05   0.02
   126   1    -0.07  -0.07   0.01    -0.03  -0.01   0.03     0.04   0.05   0.01
   127   1    -0.10   0.00   0.04    -0.05   0.01   0.02     0.06   0.00  -0.01
   128   1    -0.09   0.07   0.04    -0.04   0.02  -0.01     0.05  -0.05  -0.01
   129   1     0.01   0.09   0.01     0.02   0.03  -0.04    -0.02  -0.08   0.02
   130   1     0.05   0.04  -0.03     0.05   0.02  -0.04    -0.06  -0.06   0.02
   131   1     0.05  -0.04  -0.05     0.05   0.00  -0.02    -0.07   0.00   0.02
   132   1     0.02  -0.07  -0.04     0.03  -0.01  -0.00    -0.04   0.03   0.02
   133   1     0.11   0.03  -0.07     0.10   0.12  -0.18     0.08   0.02  -0.04
   134   1     0.01   0.13  -0.04    -0.05   0.28  -0.10     0.02   0.07  -0.04
   135   1     0.02   0.04  -0.02    -0.09   0.26  -0.04     0.02  -0.00  -0.02
   136   1    -0.09   0.02   0.04    -0.20   0.18   0.14    -0.05  -0.01   0.00
   137   1     0.01  -0.09   0.01    -0.05   0.01   0.05     0.02  -0.07  -0.01
   138   1    -0.13  -0.03   0.06    -0.07  -0.05   0.07     0.44   0.13  -0.14
   139   1    -0.10  -0.01  -0.08    -0.06   0.02   0.00     0.35  -0.00   0.31
   140   1     0.05  -0.02   0.11    -0.01  -0.10   0.10    -0.13   0.05  -0.28
   141   1    -0.03  -0.02   0.02    -0.10  -0.05   0.07     0.19   0.03   0.06
   142   1     0.08   0.00  -0.04    -0.00  -0.03   0.03    -0.22  -0.10   0.21
   143  17    -0.03  -0.02   0.00    -0.06  -0.07   0.00    -0.02  -0.02  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --     58.6360                61.8224                63.4068
 Red. masses --      3.1534                 4.7553                 4.0596
 Frc consts  --      0.0064                 0.0107                 0.0096
 IR Inten    --      1.6158                 1.8689                 1.3689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.03    -0.01  -0.00   0.10     0.00   0.01   0.04
     2   6     0.00   0.01   0.01    -0.01  -0.00   0.11    -0.00   0.01  -0.01
     3   6     0.01   0.01   0.00    -0.02  -0.01   0.08    -0.00   0.01  -0.01
     4   6     0.01   0.02   0.01    -0.01  -0.01   0.04    -0.00   0.01   0.02
     5   6     0.00   0.02   0.04    -0.01  -0.01   0.05     0.00   0.02   0.08
     6   6     0.00   0.02   0.05    -0.01  -0.01   0.08     0.00   0.02   0.10
     7   6     0.01   0.01  -0.01    -0.02  -0.01   0.06    -0.00   0.01  -0.02
     8   6     0.01   0.01  -0.02    -0.01  -0.01   0.02    -0.01   0.01   0.01
     9   6     0.01   0.01  -0.02     0.00  -0.02  -0.01    -0.00   0.01   0.00
    10   6     0.01   0.01  -0.01    -0.01  -0.02  -0.01    -0.00   0.00  -0.00
    11   6     0.01   0.01  -0.02    -0.03  -0.00   0.08    -0.00   0.01  -0.03
    12   6     0.02   0.01  -0.03    -0.01   0.00   0.03    -0.02   0.00   0.01
    13   6     0.02   0.01  -0.05     0.00   0.00  -0.02    -0.03  -0.00   0.05
    14   6     0.02   0.01  -0.04     0.00  -0.00  -0.03    -0.03   0.00   0.04
    15   7    -0.00  -0.01  -0.03    -0.00  -0.02  -0.02     0.00   0.01   0.00
    16   6    -0.00  -0.01  -0.05    -0.01  -0.02  -0.04    -0.00   0.01  -0.01
    17   6    -0.00  -0.01  -0.03    -0.02  -0.04  -0.07    -0.01  -0.00  -0.03
    18   7     0.01   0.01  -0.02    -0.02  -0.03  -0.06    -0.01  -0.00  -0.03
    19   6    -0.01  -0.03  -0.07     0.00  -0.01  -0.01     0.00   0.02   0.01
    20   6    -0.01  -0.04  -0.08    -0.00  -0.01  -0.02     0.00   0.02   0.01
    21   6    -0.01  -0.02  -0.06    -0.02  -0.03  -0.07    -0.00   0.00  -0.03
    22   6    -0.00  -0.01  -0.04    -0.03  -0.04  -0.10    -0.01  -0.01  -0.05
    23   6    -0.00   0.01   0.02    -0.01   0.01   0.07    -0.00   0.01   0.03
    24   6     0.02   0.01  -0.02    -0.01  -0.00   0.02    -0.02  -0.00   0.00
    25   6    -0.00  -0.01  -0.04    -0.01  -0.02  -0.05     0.00   0.00  -0.02
    26   6     0.01   0.02  -0.03     0.02   0.07  -0.06    -0.02  -0.08   0.10
    27   6     0.01   0.01  -0.01     0.02   0.06  -0.08    -0.01  -0.09   0.09
    28   6     0.01  -0.01   0.02     0.02  -0.01  -0.01    -0.02  -0.02  -0.01
    29   6     0.02  -0.03   0.03    -0.00  -0.08   0.07    -0.02   0.06  -0.10
    30   6     0.02  -0.02   0.02    -0.01  -0.08   0.09    -0.02   0.07  -0.10
    31   6    -0.02   0.01   0.03    -0.00   0.04   0.00    -0.05  -0.03   0.12
    32   6    -0.03  -0.00   0.01     0.01   0.05  -0.05    -0.05  -0.04   0.10
    33   6    -0.01  -0.00  -0.01     0.01   0.02  -0.04    -0.00   0.00  -0.01
    34   6     0.01   0.00  -0.03     0.00  -0.01   0.02     0.05   0.04  -0.11
    35   6     0.01   0.01  -0.01    -0.00  -0.01   0.07     0.05   0.05  -0.09
    36   6     0.00   0.01  -0.06     0.05  -0.03   0.06     0.06  -0.02   0.10
    37   6     0.01   0.03  -0.03     0.06  -0.02   0.10     0.07  -0.03   0.11
    38   6     0.00   0.02   0.02     0.02  -0.01   0.03     0.03  -0.01   0.01
    39   6    -0.00   0.00   0.04    -0.04   0.00  -0.07    -0.03   0.01  -0.10
    40   6    -0.00  -0.02   0.01    -0.05  -0.01  -0.11    -0.03   0.02  -0.12
    41   7    -0.02  -0.01  -0.03    -0.00   0.01  -0.07    -0.01  -0.00  -0.03
    42   7     0.01  -0.01   0.03     0.02  -0.01  -0.03    -0.01  -0.02  -0.02
    43   7     0.01   0.04   0.04     0.02   0.01   0.05     0.03  -0.00   0.01
    44   6     0.00  -0.01   0.02     0.01  -0.01  -0.01    -0.02  -0.02  -0.02
    45   6     0.01  -0.00   0.01     0.00   0.00   0.01    -0.02  -0.01  -0.01
    46   6     0.02   0.00   0.01     0.01   0.00   0.00    -0.02  -0.01   0.00
    47   6     0.02  -0.00   0.02     0.02  -0.01  -0.02    -0.02  -0.02  -0.01
    48   6    -0.01   0.00  -0.02     0.01   0.00  -0.05     0.00  -0.00  -0.01
    49   6    -0.01   0.01   0.00     0.00   0.01  -0.01     0.00   0.00   0.01
    50   6    -0.01   0.01   0.00    -0.01   0.02  -0.00    -0.00   0.00  -0.01
    51   6    -0.01  -0.00  -0.02    -0.01   0.02  -0.04    -0.01  -0.00  -0.02
    52   6     0.01   0.02   0.02     0.01   0.00   0.04     0.02   0.00   0.01
    53   6     0.01  -0.00  -0.01     0.00  -0.00   0.01     0.02   0.01   0.00
    54   6     0.00   0.00  -0.00     0.01  -0.00  -0.00     0.03   0.00  -0.01
    55   6     0.00   0.03   0.02     0.03   0.00   0.02     0.04  -0.00  -0.00
    56   6     0.03   0.01  -0.00     0.01   0.01   0.01    -0.03  -0.01   0.02
    57   6     0.04   0.01  -0.00     0.03   0.01  -0.00    -0.04  -0.01   0.02
    58   6     0.04   0.01   0.01     0.04   0.00  -0.02    -0.03  -0.01   0.01
    59   6     0.03  -0.00   0.02     0.04  -0.01  -0.02    -0.02  -0.02  -0.01
    60   6    -0.00  -0.01   0.02     0.01  -0.01  -0.02    -0.03  -0.03  -0.03
    61   6    -0.01  -0.01   0.01     0.00  -0.00   0.01    -0.04  -0.03  -0.04
    62   6    -0.00  -0.00  -0.00    -0.01   0.01   0.04    -0.04  -0.02  -0.04
    63   6     0.00   0.00  -0.00    -0.01   0.01   0.04    -0.03  -0.01  -0.02
    64   6    -0.00   0.01   0.02    -0.02   0.03   0.04     0.00   0.00  -0.00
    65   6    -0.00   0.01   0.01    -0.04   0.04   0.03     0.00  -0.00  -0.02
    66   6    -0.01  -0.00  -0.01    -0.04   0.05  -0.01    -0.00  -0.01  -0.03
    67   6    -0.01  -0.01  -0.03    -0.03   0.04  -0.05    -0.01  -0.01  -0.03
    68   6    -0.02  -0.00  -0.02     0.02  -0.01  -0.05     0.01  -0.01  -0.01
    69   6    -0.01   0.01  -0.00     0.03  -0.01  -0.02     0.02  -0.00   0.01
    70   6    -0.00   0.02   0.02     0.02  -0.01   0.02     0.02   0.00   0.04
    71   6    -0.00   0.02   0.02     0.01  -0.00   0.03     0.01   0.00   0.03
    72   6     0.00  -0.02  -0.02     0.02  -0.01  -0.04     0.03   0.01  -0.03
    73   6     0.00  -0.01  -0.01     0.04  -0.01  -0.05     0.05   0.00  -0.04
    74   6     0.00   0.01   0.01     0.05  -0.00  -0.02     0.06  -0.00  -0.03
    75   6     0.00   0.03   0.03     0.05   0.01   0.02     0.06  -0.00  -0.01
    76   6     0.01   0.03   0.03    -0.00   0.00   0.05     0.02  -0.00   0.01
    77   6     0.01   0.01   0.00    -0.01  -0.00   0.03     0.01   0.01   0.02
    78   6     0.00  -0.02  -0.03    -0.02  -0.00   0.01     0.01   0.02   0.02
    79   6     0.00  -0.02  -0.03    -0.01  -0.01  -0.00     0.01   0.01   0.01
    80   8    -0.02   0.03  -0.02    -0.01  -0.05  -0.05     0.02   0.02   0.03
    81  15    -0.01   0.01  -0.01     0.00  -0.02  -0.02     0.01   0.02   0.01
    82   8    -0.02   0.03  -0.01    -0.03   0.02   0.01     0.02   0.02   0.00
    83   8    -0.02  -0.02   0.02     0.05  -0.01  -0.00    -0.00   0.02   0.01
    84   6    -0.09  -0.15   0.09    -0.06   0.10  -0.04     0.01  -0.03   0.03
    85   6     0.04  -0.07  -0.02    -0.10   0.16   0.02     0.02  -0.04   0.01
    86   6    -0.07   0.01   0.09     0.01  -0.02  -0.03    -0.05   0.01  -0.02
    87   6    -0.05  -0.06   0.17    -0.01  -0.01  -0.05    -0.00   0.03  -0.02
    88   1     0.00   0.01  -0.00    -0.01   0.00   0.13    -0.01   0.01  -0.05
    89   1     0.00   0.02   0.05    -0.01  -0.02   0.03     0.00   0.02   0.11
    90   1     0.00   0.02   0.08    -0.01  -0.01   0.08     0.00   0.03   0.15
    91   1     0.00   0.01  -0.01    -0.04  -0.01   0.12     0.01   0.01  -0.05
    92   1     0.02   0.02  -0.06     0.01   0.01  -0.07    -0.04  -0.01   0.09
    93   1     0.02   0.02  -0.05     0.02   0.01  -0.06    -0.04  -0.01   0.07
    94   1    -0.02  -0.03  -0.08     0.01   0.01   0.02     0.01   0.03   0.04
    95   1    -0.02  -0.04  -0.10     0.00   0.01   0.01     0.01   0.03   0.03
    96   1     0.01  -0.01  -0.02    -0.04  -0.06  -0.12    -0.02  -0.02  -0.07
    97   1     0.01   0.04  -0.06     0.02   0.13  -0.11    -0.01  -0.14   0.16
    98   1     0.00   0.02  -0.03     0.03   0.12  -0.14     0.00  -0.15   0.15
    99   1     0.02  -0.04   0.06    -0.01  -0.14   0.11    -0.02   0.12  -0.17
   100   1     0.02  -0.03   0.03    -0.02  -0.13   0.15    -0.03   0.13  -0.16
   101   1    -0.04   0.01   0.06    -0.00   0.06  -0.00    -0.09  -0.07   0.21
   102   1    -0.05  -0.00   0.02     0.01   0.07  -0.10    -0.10  -0.07   0.17
   103   1     0.02   0.00  -0.05     0.01  -0.03   0.02     0.09   0.08  -0.19
   104   1     0.03   0.01  -0.02    -0.01  -0.04   0.12     0.10   0.08  -0.16
   105   1     0.00   0.01  -0.10     0.09  -0.04   0.11     0.10  -0.04   0.17
   106   1     0.01   0.04  -0.05     0.10  -0.04   0.17     0.10  -0.05   0.20
   107   1    -0.00  -0.00   0.08    -0.07   0.02  -0.11    -0.06   0.03  -0.17
   108   1    -0.01  -0.03   0.04    -0.09   0.01  -0.18    -0.07   0.04  -0.21
   109   1     0.03   0.02  -0.01    -0.00   0.02   0.02    -0.04  -0.01   0.03
   110   1     0.05   0.02  -0.01     0.03   0.02   0.00    -0.04  -0.01   0.04
   111   1     0.05   0.01   0.02     0.05  -0.00  -0.02    -0.03  -0.01   0.01
   112   1     0.03  -0.01   0.04     0.05  -0.02  -0.03    -0.02  -0.02  -0.03
   113   1    -0.00  -0.02   0.02     0.03  -0.01  -0.04    -0.03  -0.04  -0.03
   114   1    -0.01  -0.01   0.01     0.00  -0.00   0.01    -0.04  -0.03  -0.05
   115   1    -0.01   0.00  -0.01    -0.02   0.01   0.06    -0.04  -0.01  -0.04
   116   1     0.01   0.01  -0.01    -0.02   0.01   0.06    -0.04   0.00  -0.02
   117   1     0.00   0.02   0.03    -0.02   0.02   0.07     0.01   0.01   0.01
   118   1     0.00   0.01   0.02    -0.05   0.05   0.06     0.00  -0.00  -0.02
   119   1    -0.01  -0.00  -0.02    -0.05   0.06  -0.02    -0.00  -0.01  -0.03
   120   1    -0.02  -0.01  -0.04    -0.03   0.05  -0.08    -0.01  -0.02  -0.03
   121   1    -0.02  -0.01  -0.04     0.02  -0.01  -0.08     0.01  -0.01  -0.04
   122   1    -0.01   0.01  -0.01     0.04  -0.02  -0.03     0.02  -0.01   0.01
   123   1    -0.00   0.02   0.04     0.03  -0.02   0.04     0.02   0.00   0.06
   124   1     0.00   0.02   0.04     0.01   0.00   0.06     0.01   0.01   0.05
   125   1     0.00  -0.04  -0.04     0.01  -0.01  -0.06     0.02   0.01  -0.04
   126   1    -0.00  -0.03  -0.03     0.04  -0.02  -0.08     0.05   0.00  -0.06
   127   1    -0.00   0.02   0.02     0.07   0.00  -0.02     0.07  -0.00  -0.04
   128   1     0.00   0.05   0.05     0.06   0.01   0.04     0.07  -0.01   0.01
   129   1     0.01   0.05   0.05     0.00   0.01   0.06     0.02  -0.01   0.01
   130   1     0.01   0.01   0.01    -0.02  -0.00   0.04     0.01   0.00   0.02
   131   1     0.00  -0.04  -0.05    -0.03  -0.01   0.00     0.01   0.02   0.02
   132   1     0.00  -0.05  -0.05    -0.01  -0.01  -0.02     0.01   0.02   0.01
   133   1    -0.30  -0.11   0.22    -0.05   0.09  -0.11    -0.01  -0.02   0.07
   134   1    -0.03  -0.38   0.12    -0.08   0.13  -0.06     0.02  -0.06   0.03
   135   1    -0.02  -0.21   0.06    -0.13   0.23  -0.02     0.02  -0.07   0.03
   136   1     0.25  -0.11  -0.16    -0.11   0.18   0.10     0.05  -0.05  -0.03
   137   1    -0.03   0.18  -0.04    -0.08   0.13   0.04     0.02  -0.00   0.01
   138   1    -0.10   0.04   0.12    -0.00  -0.06  -0.02    -0.09  -0.02   0.02
   139   1    -0.09   0.05   0.07    -0.00  -0.00  -0.04    -0.08   0.01  -0.08
   140   1    -0.02  -0.11   0.20    -0.00  -0.02  -0.04     0.03   0.02   0.04
   141   1    -0.09  -0.04   0.23    -0.04  -0.02  -0.07    -0.04   0.02  -0.04
   142   1    -0.01  -0.09   0.13    -0.00   0.03  -0.05     0.05   0.06  -0.06
   143  17     0.03  -0.00  -0.01     0.03  -0.02   0.01     0.01   0.01   0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --     67.1689                68.9401                73.0756
 Red. masses --      3.9322                 4.5211                 4.8656
 Frc consts  --      0.0105                 0.0127                 0.0153
 IR Inten    --      5.8305                 3.0368                 1.3688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.03    -0.01  -0.00   0.04    -0.02  -0.02   0.00
     2   6    -0.00   0.00  -0.03    -0.00  -0.01   0.04    -0.02  -0.01   0.01
     3   6    -0.00   0.00  -0.02    -0.00  -0.01   0.02    -0.02  -0.02   0.01
     4   6    -0.00   0.00  -0.01     0.00  -0.00   0.03    -0.02  -0.01  -0.01
     5   6    -0.00   0.00  -0.01    -0.01  -0.00   0.03    -0.02  -0.02  -0.01
     6   6    -0.00   0.00  -0.02    -0.01  -0.01   0.03    -0.02  -0.01  -0.00
     7   6     0.00   0.00  -0.03     0.00  -0.01  -0.01    -0.03  -0.02   0.03
     8   6     0.00   0.00  -0.02     0.01  -0.01  -0.02    -0.02  -0.01   0.01
     9   6    -0.01   0.01   0.02     0.01  -0.02  -0.01    -0.00  -0.02  -0.03
    10   6    -0.00   0.00   0.00     0.01  -0.00   0.02    -0.01  -0.00  -0.01
    11   6     0.01   0.00  -0.05     0.01  -0.00  -0.02    -0.05  -0.02   0.08
    12   6     0.02   0.00  -0.06    -0.00  -0.00  -0.03    -0.05  -0.02   0.07
    13   6     0.03   0.01  -0.07    -0.00  -0.01  -0.03    -0.04  -0.02   0.04
    14   6     0.02   0.01  -0.04     0.00  -0.01  -0.03    -0.03  -0.02   0.01
    15   7    -0.01   0.00   0.03     0.01  -0.02  -0.02     0.00  -0.00  -0.04
    16   6    -0.01  -0.00   0.03     0.02   0.01   0.01     0.01   0.03   0.00
    17   6    -0.01  -0.01   0.01     0.02   0.02   0.04     0.01   0.05   0.04
    18   7    -0.00  -0.01  -0.00     0.01   0.02   0.05    -0.01   0.03   0.03
    19   6    -0.00   0.01   0.05     0.02   0.01  -0.00     0.01   0.04   0.01
    20   6     0.00   0.01   0.06     0.02   0.02   0.02     0.02   0.07   0.04
    21   6    -0.00  -0.00   0.03     0.03   0.04   0.04     0.02   0.08   0.07
    22   6    -0.01  -0.02   0.01     0.02   0.04   0.06     0.02   0.08   0.08
    23   6    -0.00   0.00  -0.02    -0.01   0.00   0.03    -0.02  -0.01   0.00
    24   6     0.02   0.00  -0.04    -0.01  -0.00  -0.02    -0.05  -0.02   0.05
    25   6    -0.01  -0.00   0.03     0.03   0.03   0.03     0.03   0.06   0.06
    26   6     0.00   0.06  -0.10    -0.02  -0.06   0.04    -0.02   0.07  -0.06
    27   6    -0.01   0.06  -0.07    -0.02  -0.07   0.06    -0.01   0.08  -0.10
    28   6     0.00   0.01   0.02    -0.02  -0.02  -0.00    -0.02  -0.01  -0.03
    29   6     0.02  -0.04   0.08    -0.01   0.04  -0.07    -0.05  -0.10   0.08
    30   6     0.03  -0.04   0.05    -0.00   0.05  -0.08    -0.06  -0.10   0.12
    31   6    -0.00  -0.00  -0.01     0.04   0.07  -0.12    -0.03  -0.05   0.08
    32   6    -0.00  -0.01   0.01     0.05   0.09  -0.14    -0.02  -0.03   0.08
    33   6    -0.01   0.00   0.01    -0.01   0.03  -0.01     0.01   0.01  -0.00
    34   6    -0.01   0.01  -0.00    -0.06  -0.04   0.14     0.03   0.05  -0.09
    35   6    -0.01   0.01  -0.02    -0.07  -0.05   0.16     0.02   0.04  -0.08
    36   6     0.05  -0.02   0.15     0.03   0.01   0.05    -0.02   0.04   0.03
    37   6     0.05  -0.02   0.13     0.03  -0.01   0.03    -0.02  -0.00  -0.01
    38   6    -0.02   0.01  -0.01     0.03  -0.01  -0.02     0.03  -0.02  -0.02
    39   6    -0.08   0.03  -0.14     0.03   0.01  -0.05     0.08   0.01   0.01
    40   6    -0.07   0.03  -0.12     0.03   0.03  -0.02     0.08   0.05   0.05
    41   7    -0.00   0.00   0.02    -0.01   0.03  -0.02     0.01   0.02   0.00
    42   7    -0.01   0.01   0.05    -0.03  -0.01   0.01    -0.01  -0.01  -0.06
    43   7    -0.02   0.01  -0.01     0.03  -0.02  -0.05     0.03  -0.05  -0.07
    44   6    -0.00   0.01   0.03    -0.03  -0.02  -0.00    -0.02  -0.01  -0.04
    45   6     0.01   0.01   0.01    -0.03  -0.01  -0.01    -0.03  -0.01  -0.01
    46   6     0.01   0.00  -0.00    -0.02  -0.01  -0.00    -0.03  -0.01  -0.02
    47   6     0.00   0.01   0.03    -0.03  -0.01   0.00    -0.02  -0.02  -0.05
    48   6    -0.01   0.00   0.01    -0.01   0.02  -0.02     0.02   0.01   0.00
    49   6    -0.01   0.00   0.00    -0.02   0.02  -0.01     0.01   0.00  -0.00
    50   6    -0.00   0.00   0.00    -0.02   0.03   0.00    -0.00   0.00  -0.01
    51   6    -0.00   0.00   0.01    -0.02   0.04  -0.01     0.00   0.01  -0.00
    52   6    -0.01   0.01  -0.01     0.03  -0.01  -0.03     0.03  -0.03  -0.04
    53   6    -0.01   0.00   0.00     0.03   0.01  -0.01     0.03   0.01  -0.00
    54   6    -0.02  -0.01  -0.01     0.04   0.01  -0.01     0.04   0.01  -0.00
    55   6    -0.02  -0.00  -0.01     0.04  -0.01  -0.03     0.04  -0.03  -0.05
    56   6     0.03   0.00  -0.03    -0.03  -0.01  -0.01    -0.04  -0.01  -0.00
    57   6     0.03   0.00  -0.03    -0.03  -0.01  -0.00    -0.04  -0.02  -0.02
    58   6     0.02   0.01   0.01    -0.03  -0.01   0.00    -0.03  -0.02  -0.05
    59   6     0.00   0.01   0.04    -0.03  -0.01   0.00    -0.02  -0.02  -0.06
    60   6    -0.00   0.02   0.05    -0.04  -0.02  -0.00    -0.01  -0.01  -0.05
    61   6     0.01   0.01   0.03    -0.04  -0.02  -0.02    -0.02  -0.00  -0.01
    62   6     0.02   0.01   0.01    -0.03  -0.02  -0.04    -0.04  -0.00   0.04
    63   6     0.02  -0.00  -0.01    -0.03  -0.01  -0.03    -0.04  -0.01   0.03
    64   6    -0.00  -0.00  -0.01    -0.04   0.03   0.03    -0.01   0.00  -0.02
    65   6     0.00  -0.00  -0.01    -0.05   0.05   0.04    -0.01   0.00  -0.02
    66   6     0.00  -0.00   0.00    -0.05   0.06   0.02    -0.01   0.02  -0.01
    67   6    -0.00  -0.00   0.01    -0.03   0.06  -0.01     0.00   0.02   0.00
    68   6    -0.01   0.01   0.01    -0.01   0.02  -0.02     0.03   0.00   0.01
    69   6    -0.01   0.01   0.01    -0.01   0.01  -0.02     0.03  -0.01   0.01
    70   6    -0.01   0.01  -0.00    -0.02   0.01  -0.03     0.02  -0.01   0.01
    71   6    -0.01   0.01  -0.01    -0.02   0.01  -0.02     0.01  -0.01   0.01
    72   6    -0.02  -0.02  -0.01     0.04   0.03   0.00     0.04   0.05   0.03
    73   6    -0.02  -0.02  -0.02     0.04   0.03  -0.01     0.05   0.04   0.01
    74   6    -0.03  -0.01  -0.01     0.05   0.00  -0.03     0.05  -0.01  -0.04
    75   6    -0.02  -0.00  -0.01     0.04  -0.02  -0.04     0.05  -0.04  -0.07
    76   6     0.01   0.02  -0.01     0.04  -0.02  -0.04     0.03  -0.05  -0.06
    77   6     0.02   0.03   0.00     0.04   0.00  -0.02     0.02  -0.03  -0.03
    78   6     0.02   0.03   0.02     0.04   0.03   0.01     0.03   0.02   0.01
    79   6     0.01   0.01   0.02     0.04   0.03   0.01     0.03   0.04   0.03
    80   8    -0.02   0.03   0.03     0.01  -0.02  -0.02     0.01   0.00  -0.02
    81  15    -0.02  -0.01   0.01     0.01  -0.02  -0.01     0.01   0.00  -0.03
    82   8     0.01  -0.07  -0.02     0.01  -0.01  -0.01     0.01   0.02  -0.03
    83   8    -0.07  -0.02  -0.00     0.02  -0.04   0.01     0.01  -0.01  -0.00
    84   6     0.11  -0.02  -0.04     0.01  -0.02  -0.00     0.01  -0.02  -0.01
    85   6     0.09  -0.11  -0.05     0.02  -0.02  -0.02     0.02  -0.04  -0.03
    86   6     0.02   0.01   0.06    -0.05  -0.02   0.06    -0.05   0.00   0.04
    87   6     0.01  -0.03   0.09    -0.04  -0.08   0.12    -0.03  -0.05   0.09
    88   1    -0.00   0.00  -0.04     0.00  -0.02   0.05    -0.03  -0.01   0.01
    89   1    -0.00   0.01  -0.01    -0.01   0.00   0.03    -0.02  -0.02  -0.02
    90   1    -0.00   0.00  -0.02    -0.01  -0.01   0.02    -0.03  -0.01  -0.01
    91   1     0.01  -0.00  -0.04     0.01   0.00  -0.02    -0.06  -0.02   0.10
    92   1     0.03   0.01  -0.09    -0.00  -0.01  -0.03    -0.04  -0.01   0.03
    93   1     0.02   0.01  -0.04    -0.00  -0.01  -0.03    -0.03  -0.02  -0.01
    94   1    -0.00   0.01   0.06     0.02  -0.00  -0.03     0.01   0.03  -0.03
    95   1     0.00   0.01   0.09     0.02   0.02   0.01     0.02   0.07   0.04
    96   1    -0.01  -0.03  -0.01     0.02   0.05   0.08     0.02   0.09   0.11
    97   1    -0.01   0.09  -0.16    -0.03  -0.11   0.08    -0.01   0.15  -0.11
    98   1    -0.03   0.09  -0.11    -0.02  -0.11   0.11     0.01   0.15  -0.18
    99   1     0.03  -0.08   0.14    -0.00   0.09  -0.11    -0.06  -0.17   0.13
   100   1     0.05  -0.08   0.09    -0.01   0.09  -0.13    -0.08  -0.17   0.20
   101   1    -0.00  -0.01  -0.01     0.08   0.13  -0.21    -0.06  -0.09   0.14
   102   1    -0.00  -0.01   0.02     0.11   0.14  -0.25    -0.04  -0.06   0.13
   103   1    -0.01   0.01  -0.00    -0.10  -0.10   0.23     0.05   0.09  -0.14
   104   1    -0.01   0.01  -0.03    -0.12  -0.10   0.27     0.04   0.07  -0.14
   105   1     0.11  -0.05   0.26     0.03   0.01   0.09    -0.05   0.05   0.03
   106   1     0.08  -0.04   0.23     0.02  -0.03   0.05    -0.06  -0.03  -0.04
   107   1    -0.13   0.06  -0.24     0.03   0.02  -0.09     0.11   0.00   0.00
   108   1    -0.11   0.05  -0.22     0.04   0.05  -0.04     0.12   0.07   0.07
   109   1     0.04   0.00  -0.06    -0.02  -0.02  -0.01    -0.05  -0.01   0.02
   110   1     0.04   0.00  -0.05    -0.03  -0.01  -0.00    -0.04  -0.02  -0.01
   111   1     0.02   0.01   0.02    -0.03  -0.01   0.01    -0.03  -0.02  -0.06
   112   1    -0.01   0.01   0.07    -0.03  -0.01   0.00    -0.01  -0.02  -0.08
   113   1    -0.01   0.03   0.06    -0.04  -0.03   0.01     0.01  -0.00  -0.08
   114   1     0.01   0.02   0.04    -0.04  -0.03  -0.02    -0.01  -0.00  -0.01
   115   1     0.03   0.00  -0.01    -0.03  -0.02  -0.05    -0.05   0.00   0.07
   116   1     0.03  -0.01  -0.03    -0.02  -0.00  -0.04    -0.06  -0.01   0.06
   117   1    -0.00  -0.00  -0.02    -0.04   0.02   0.04    -0.02  -0.01  -0.03
   118   1     0.00  -0.01  -0.02    -0.06   0.06   0.06    -0.02   0.00  -0.03
   119   1     0.00  -0.01   0.00    -0.05   0.08   0.02    -0.01   0.02  -0.01
   120   1     0.00  -0.00   0.02    -0.03   0.07  -0.03     0.01   0.03   0.02
   121   1    -0.01   0.01   0.02    -0.01   0.02  -0.01     0.04   0.01   0.00
   122   1    -0.02   0.01   0.01    -0.01   0.01  -0.03     0.04  -0.01   0.02
   123   1    -0.01   0.01  -0.01    -0.02   0.00  -0.03     0.02  -0.02   0.02
   124   1    -0.01   0.00  -0.02    -0.02   0.01  -0.02    -0.00  -0.02   0.00
   125   1    -0.02  -0.02  -0.01     0.04   0.05   0.02     0.04   0.09   0.06
   126   1    -0.02  -0.04  -0.02     0.05   0.04   0.00     0.05   0.07   0.04
   127   1    -0.03  -0.02  -0.01     0.05  -0.00  -0.04     0.06  -0.02  -0.05
   128   1    -0.02   0.01  -0.00     0.05  -0.04  -0.06     0.05  -0.08  -0.10
   129   1     0.00   0.03  -0.03     0.03  -0.03  -0.07     0.03  -0.09  -0.09
   130   1     0.03   0.04   0.00     0.04  -0.00  -0.03     0.02  -0.04  -0.05
   131   1     0.03   0.03   0.03     0.04   0.04   0.02     0.02   0.04   0.03
   132   1     0.01   0.00   0.03     0.04   0.05   0.04     0.03   0.07   0.06
   133   1     0.22  -0.03  -0.07    -0.01  -0.02   0.01    -0.01  -0.01   0.03
   134   1     0.10   0.10  -0.01     0.01  -0.04   0.00     0.01  -0.05  -0.01
   135   1     0.18  -0.07  -0.07     0.02  -0.04  -0.01     0.02  -0.08  -0.01
   136   1    -0.02  -0.10  -0.02     0.04  -0.03  -0.03     0.04  -0.05  -0.07
   137   1     0.10  -0.24  -0.09     0.01  -0.00  -0.02     0.01  -0.00  -0.03
   138   1     0.07   0.08   0.02    -0.09  -0.01   0.10    -0.08   0.01   0.07
   139   1     0.06  -0.02   0.12    -0.08   0.04   0.03    -0.07   0.05   0.01
   140   1    -0.02  -0.00   0.02    -0.01  -0.14   0.16    -0.00  -0.10   0.13
   141   1     0.08  -0.01   0.14    -0.10  -0.06   0.17    -0.08  -0.03   0.14
   142   1    -0.04  -0.11   0.13     0.01  -0.08   0.09     0.01  -0.06   0.06
   143  17    -0.04  -0.01  -0.02    -0.00  -0.05   0.01     0.03   0.00   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --     79.3028                86.7697                89.3946
 Red. masses --      6.0852                 5.8769                 5.8568
 Frc consts  --      0.0225                 0.0261                 0.0276
 IR Inten    --      0.8189                 0.5212                 0.5465
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.05   0.06    -0.00  -0.02   0.13    -0.07  -0.06   0.03
     2   6     0.04   0.05   0.07    -0.01  -0.02   0.10    -0.05  -0.06   0.06
     3   6     0.03   0.04   0.03    -0.01  -0.02   0.02    -0.03  -0.05   0.03
     4   6     0.03   0.02  -0.02    -0.01  -0.02  -0.03    -0.04  -0.04  -0.03
     5   6     0.04   0.02  -0.01    -0.01  -0.02   0.02    -0.06  -0.04  -0.06
     6   6     0.05   0.04   0.02    -0.01  -0.01   0.10    -0.08  -0.05  -0.03
     7   6    -0.01   0.05   0.03     0.00  -0.02  -0.02    -0.00  -0.05   0.03
     8   6    -0.01   0.04  -0.01     0.00  -0.01  -0.00     0.02  -0.03  -0.00
     9   6     0.01   0.01  -0.05     0.00   0.01  -0.01     0.01  -0.02  -0.03
    10   6     0.02   0.01  -0.04    -0.01  -0.02  -0.07    -0.02  -0.03  -0.05
    11   6    -0.03   0.06   0.06     0.01  -0.02  -0.05     0.01  -0.07   0.04
    12   6    -0.04   0.06   0.04     0.02  -0.02  -0.08     0.05  -0.07   0.01
    13   6    -0.03   0.06   0.01     0.03  -0.01  -0.07     0.07  -0.05  -0.05
    14   6    -0.02   0.04  -0.02     0.01  -0.01  -0.03     0.07  -0.03  -0.05
    15   7    -0.02  -0.01  -0.06     0.01   0.03   0.03     0.01  -0.02  -0.04
    16   6    -0.00  -0.01  -0.00     0.01   0.03   0.02     0.00   0.00  -0.01
    17   6     0.02  -0.01   0.01    -0.01  -0.01  -0.07    -0.02  -0.01  -0.04
    18   7     0.03   0.00  -0.02    -0.02  -0.04  -0.12    -0.03  -0.03  -0.08
    19   6    -0.01  -0.01   0.04     0.03   0.07   0.11     0.02   0.03   0.05
    20   6     0.01  -0.01   0.08     0.03   0.06   0.11     0.02   0.04   0.07
    21   6     0.03  -0.01   0.09     0.00   0.02   0.01    -0.01   0.03   0.03
    22   6     0.03  -0.01   0.06    -0.01  -0.01  -0.07    -0.02   0.00  -0.03
    23   6     0.05   0.03   0.05     0.00  -0.02   0.13    -0.07  -0.04   0.04
    24   6    -0.03   0.05   0.03     0.01  -0.01  -0.08     0.05  -0.06   0.02
    25   6     0.02  -0.00   0.09     0.00   0.02   0.01    -0.01   0.02   0.03
    26   6     0.01   0.01   0.08    -0.02   0.00  -0.10     0.03  -0.10   0.08
    27   6     0.04  -0.03   0.07    -0.04   0.00  -0.06     0.02  -0.06   0.07
    28   6     0.02  -0.03   0.00    -0.03  -0.01  -0.01     0.04   0.04   0.00
    29   6    -0.02   0.01  -0.04     0.01  -0.02   0.01     0.06   0.09  -0.06
    30   6    -0.05   0.05  -0.02     0.02  -0.03  -0.03     0.07   0.04  -0.05
    31   6     0.01   0.04   0.03     0.00   0.01   0.07    -0.06  -0.07   0.09
    32   6    -0.02   0.01   0.01     0.02   0.02  -0.01    -0.03  -0.03   0.06
    33   6    -0.00  -0.04   0.00     0.03  -0.00  -0.02    -0.01   0.04  -0.02
    34   6     0.03  -0.05   0.02     0.03  -0.04   0.05    -0.01   0.06  -0.07
    35   6     0.06  -0.02   0.05     0.01  -0.05   0.13    -0.04   0.02  -0.04
    36   6     0.01  -0.00   0.07    -0.04   0.02  -0.05    -0.03   0.01   0.02
    37   6    -0.02   0.01   0.01    -0.04   0.01  -0.06    -0.03  -0.00   0.01
    38   6    -0.03   0.01  -0.02    -0.01  -0.00   0.00    -0.02  -0.01   0.01
    39   6    -0.02   0.01  -0.01     0.03  -0.01   0.07     0.00   0.00   0.02
    40   6     0.00   0.00   0.05     0.03   0.00   0.08     0.00   0.02   0.03
    41   7    -0.01  -0.06  -0.04     0.03  -0.01  -0.08     0.00   0.05  -0.03
    42   7     0.03  -0.04  -0.03    -0.05  -0.01   0.03     0.04   0.06   0.01
    43   7    -0.04   0.00  -0.05    -0.01  -0.01  -0.00    -0.02  -0.02  -0.00
    44   6     0.01  -0.04  -0.02    -0.05  -0.01   0.01     0.06   0.06   0.02
    45   6    -0.01  -0.01   0.01    -0.03  -0.01  -0.02     0.07   0.03  -0.00
    46   6     0.01  -0.00   0.02    -0.03  -0.02  -0.02     0.05   0.03  -0.00
    47   6     0.04  -0.03  -0.01    -0.05  -0.01   0.01     0.03   0.05   0.01
    48   6    -0.01  -0.04  -0.02     0.04  -0.02  -0.05     0.01   0.04  -0.02
    49   6     0.01  -0.02   0.02     0.03  -0.02  -0.01    -0.01   0.02  -0.02
    50   6     0.02  -0.03   0.02     0.02  -0.01  -0.00    -0.03   0.04  -0.03
    51   6     0.01  -0.05  -0.02     0.02  -0.01  -0.05    -0.02   0.06  -0.02
    52   6    -0.02   0.01  -0.04    -0.01  -0.01  -0.00    -0.03  -0.02   0.00
    53   6    -0.02   0.00  -0.01    -0.01  -0.00   0.00    -0.03  -0.01   0.02
    54   6    -0.04  -0.01  -0.00    -0.01  -0.00   0.01    -0.03  -0.01   0.02
    55   6    -0.05  -0.00  -0.02    -0.01  -0.01   0.00    -0.03  -0.02   0.00
    56   6     0.00   0.02   0.05    -0.02  -0.03  -0.05     0.04   0.02   0.00
    57   6     0.03   0.02   0.04    -0.03  -0.02  -0.04     0.01   0.02   0.03
    58   6     0.06  -0.01  -0.01    -0.05  -0.01   0.01    -0.00   0.04   0.04
    59   6     0.07  -0.03  -0.03    -0.06  -0.01   0.03     0.01   0.05   0.03
    60   6     0.01  -0.06  -0.05    -0.06  -0.01   0.03     0.06   0.08   0.05
    61   6    -0.02  -0.05  -0.05    -0.06  -0.01   0.01     0.09   0.07   0.05
    62   6    -0.04  -0.02  -0.01    -0.04  -0.01  -0.02     0.11   0.04   0.02
    63   6    -0.03   0.00   0.02    -0.03  -0.02  -0.04     0.09   0.02  -0.00
    64   6     0.05  -0.01   0.04     0.02   0.00   0.04    -0.06   0.03  -0.03
    65   6     0.06  -0.04   0.02     0.01   0.01   0.03    -0.07   0.06  -0.01
    66   6     0.04  -0.07  -0.03    -0.00   0.01  -0.03    -0.06   0.09   0.01
    67   6     0.01  -0.08  -0.05     0.01   0.00  -0.07    -0.03   0.09   0.00
    68   6    -0.03  -0.04  -0.05     0.05  -0.04  -0.07     0.03   0.04   0.00
    69   6    -0.02  -0.02  -0.03     0.06  -0.05  -0.03     0.04   0.02   0.02
    70   6     0.00   0.00   0.02     0.06  -0.05   0.01     0.02   0.00   0.02
    71   6     0.02   0.00   0.04     0.04  -0.03   0.03    -0.01   0.01  -0.01
    72   6    -0.04  -0.02   0.03    -0.01   0.00   0.02    -0.03  -0.00   0.03
    73   6    -0.07  -0.02   0.03    -0.01   0.00   0.02    -0.03  -0.01   0.02
    74   6    -0.09  -0.01   0.01    -0.02  -0.01   0.01    -0.03  -0.03   0.00
    75   6    -0.08  -0.00  -0.02    -0.02  -0.01  -0.00    -0.03  -0.03  -0.01
    76   6    -0.00   0.02  -0.04    -0.02  -0.02   0.00    -0.03  -0.03  -0.00
    77   6     0.02   0.03  -0.03    -0.02  -0.01   0.00    -0.04  -0.03   0.00
    78   6     0.02   0.02  -0.00    -0.02  -0.01   0.00    -0.04  -0.01   0.02
    79   6     0.01   0.01   0.01    -0.02  -0.00   0.00    -0.03   0.00   0.02
    80   8    -0.09   0.04  -0.08     0.01   0.09   0.06    -0.02  -0.02  -0.07
    81  15    -0.08  -0.02  -0.07     0.00   0.05   0.04    -0.01  -0.03  -0.05
    82   8    -0.08  -0.06  -0.06     0.02   0.02   0.03    -0.02  -0.04  -0.03
    83   8    -0.10  -0.03  -0.06    -0.02   0.06   0.03     0.01  -0.04  -0.03
    84   6    -0.02   0.03  -0.10     0.09   0.00   0.04    -0.01  -0.00  -0.06
    85   6    -0.03   0.02  -0.10     0.09  -0.08   0.01    -0.01   0.01  -0.05
    86   6     0.05   0.00   0.03    -0.01   0.04  -0.02    -0.00  -0.02   0.02
    87   6     0.02  -0.05   0.06     0.01   0.09  -0.06    -0.01  -0.08   0.07
    88   1     0.04   0.07   0.11    -0.00  -0.03   0.13    -0.04  -0.07   0.09
    89   1     0.05   0.01  -0.04    -0.01  -0.02  -0.01    -0.07  -0.02  -0.11
    90   1     0.06   0.03   0.02    -0.02  -0.01   0.13    -0.10  -0.05  -0.05
    91   1    -0.03   0.07   0.08     0.02  -0.01  -0.05    -0.00  -0.08   0.06
    92   1    -0.04   0.06  -0.01     0.04  -0.01  -0.09     0.10  -0.05  -0.08
    93   1    -0.02   0.03  -0.07     0.01  -0.01  -0.01     0.09  -0.00  -0.10
    94   1    -0.02  -0.01   0.03     0.05   0.10   0.19     0.03   0.04   0.08
    95   1     0.01  -0.01   0.11     0.05   0.10   0.17     0.03   0.07   0.11
    96   1     0.05  -0.01   0.06    -0.02  -0.05  -0.14    -0.02  -0.01  -0.06
    97   1     0.03   0.01   0.12    -0.04   0.00  -0.14     0.02  -0.17   0.12
    98   1     0.07  -0.06   0.09    -0.06   0.01  -0.07    -0.01  -0.10   0.11
    99   1    -0.04   0.01  -0.09     0.02  -0.03   0.05     0.07   0.15  -0.11
   100   1    -0.08   0.08  -0.06     0.04  -0.04  -0.02     0.10   0.07  -0.09
   101   1     0.00   0.07   0.03    -0.00   0.03   0.07    -0.08  -0.11   0.14
   102   1    -0.05   0.02  -0.01     0.01   0.05  -0.06    -0.03  -0.05   0.09
   103   1     0.05  -0.08   0.01     0.03  -0.05   0.04     0.01   0.11  -0.12
   104   1     0.09  -0.03   0.06     0.01  -0.07   0.17    -0.05   0.03  -0.07
   105   1     0.02  -0.01   0.10    -0.07   0.03  -0.09    -0.05   0.01   0.02
   106   1    -0.02   0.01   0.00    -0.07   0.02  -0.11    -0.04  -0.01  -0.00
   107   1    -0.03   0.02  -0.03     0.07  -0.02   0.12     0.02  -0.00   0.02
   108   1     0.01   0.00   0.06     0.05  -0.01   0.13     0.01   0.02   0.04
   109   1    -0.02   0.04   0.08    -0.01  -0.03  -0.08     0.05   0.01  -0.00
   110   1     0.03   0.03   0.06    -0.02  -0.03  -0.06     0.00   0.01   0.03
   111   1     0.09  -0.01  -0.02    -0.06  -0.01   0.03    -0.03   0.04   0.05
   112   1     0.09  -0.05  -0.06    -0.08   0.00   0.07    -0.01   0.06   0.03
   113   1     0.02  -0.08  -0.08    -0.08  -0.01   0.06     0.05   0.10   0.08
   114   1    -0.02  -0.06  -0.07    -0.07  -0.01   0.03     0.09   0.08   0.08
   115   1    -0.06  -0.01  -0.00    -0.04  -0.02  -0.04     0.13   0.03   0.02
   116   1    -0.05   0.03   0.05    -0.02  -0.02  -0.07     0.10  -0.01  -0.02
   117   1     0.07   0.01   0.07     0.02   0.01   0.08    -0.07   0.01  -0.03
   118   1     0.07  -0.03   0.04     0.00   0.02   0.06    -0.09   0.06  -0.01
   119   1     0.04  -0.09  -0.04    -0.01   0.02  -0.04    -0.06   0.11   0.03
   120   1    -0.01  -0.10  -0.08     0.00   0.00  -0.10    -0.01   0.12   0.02
   121   1    -0.05  -0.06  -0.08     0.06  -0.04  -0.10     0.05   0.05   0.00
   122   1    -0.04  -0.03  -0.05     0.08  -0.06  -0.04     0.06   0.02   0.04
   123   1     0.01   0.02   0.03     0.07  -0.05   0.04     0.02  -0.01   0.03
   124   1     0.04   0.02   0.07     0.04  -0.03   0.07    -0.03  -0.01  -0.01
   125   1    -0.03  -0.02   0.04    -0.01   0.01   0.03    -0.02   0.00   0.04
   126   1    -0.07  -0.02   0.05    -0.01   0.00   0.03    -0.03  -0.01   0.03
   127   1    -0.11  -0.01   0.02    -0.02  -0.01   0.00    -0.04  -0.03  -0.01
   128   1    -0.09   0.01  -0.03    -0.02  -0.02  -0.02    -0.04  -0.04  -0.02
   129   1    -0.01   0.03  -0.06    -0.02  -0.02   0.01    -0.03  -0.05  -0.01
   130   1     0.03   0.04  -0.03    -0.02  -0.02  -0.00    -0.04  -0.03  -0.00
   131   1     0.04   0.03   0.01    -0.03  -0.01  -0.00    -0.04  -0.00   0.02
   132   1     0.01   0.00   0.03    -0.02   0.00   0.00    -0.03   0.02   0.03
   133   1     0.03   0.01  -0.17     0.14   0.01   0.06     0.01  -0.01  -0.09
   134   1    -0.03   0.11  -0.08     0.09   0.05   0.06    -0.01   0.03  -0.05
   135   1     0.02   0.09  -0.13     0.15  -0.10   0.02     0.00   0.04  -0.06
   136   1    -0.09   0.04  -0.02     0.03  -0.08  -0.02    -0.03   0.02  -0.01
   137   1    -0.03  -0.07  -0.13     0.09  -0.13  -0.01    -0.01  -0.02  -0.06
   138   1     0.12   0.11  -0.04    -0.02   0.02  -0.02    -0.01   0.00   0.02
   139   1     0.10  -0.04   0.12    -0.01   0.01  -0.03    -0.01   0.00   0.03
   140   1    -0.04   0.00  -0.05     0.00   0.13  -0.05    -0.01  -0.10   0.05
   141   1     0.14  -0.01   0.13     0.02   0.07  -0.11    -0.02  -0.06   0.12
   142   1    -0.06  -0.16   0.13     0.01   0.12  -0.06    -0.01  -0.11   0.06
   143  17     0.11   0.09  -0.00     0.03   0.09  -0.04     0.08   0.01  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    102.2195               105.3164               107.6925
 Red. masses --      5.8536                 8.3991                 5.9285
 Frc consts  --      0.0360                 0.0549                 0.0405
 IR Inten    --      1.9886                 1.3107                 4.0455
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.02   0.02  -0.05    -0.03  -0.03  -0.00
     2   6    -0.01  -0.00   0.01     0.03   0.02  -0.05    -0.02  -0.03   0.05
     3   6    -0.02   0.00   0.01     0.03   0.01  -0.02    -0.01  -0.02   0.06
     4   6    -0.02   0.01   0.02     0.03  -0.00   0.01    -0.02  -0.00   0.04
     5   6    -0.01   0.01   0.01     0.03  -0.00   0.02    -0.03  -0.01  -0.02
     6   6    -0.01   0.00  -0.01     0.04   0.01  -0.01    -0.04  -0.02  -0.04
     7   6    -0.01   0.00   0.00     0.02   0.01  -0.01    -0.01  -0.01   0.06
     8   6    -0.00   0.01  -0.01     0.00  -0.00   0.04     0.00  -0.00   0.05
     9   6    -0.01   0.01  -0.04     0.04  -0.03  -0.00     0.00   0.00   0.01
    10   6    -0.02   0.03   0.02     0.03  -0.03  -0.01    -0.00   0.02   0.06
    11   6    -0.00   0.00  -0.01     0.04   0.03  -0.07    -0.00  -0.02   0.04
    12   6     0.01   0.00  -0.02     0.01   0.03  -0.08     0.02  -0.01  -0.03
    13   6     0.01   0.01  -0.03    -0.02   0.01  -0.00     0.04   0.00  -0.06
    14   6     0.01   0.01  -0.02    -0.03  -0.01   0.06     0.02   0.01  -0.02
    15   7    -0.01   0.02  -0.07     0.03  -0.06  -0.05    -0.02   0.01   0.02
    16   6    -0.02   0.04  -0.06     0.02  -0.05  -0.03    -0.01  -0.00   0.02
    17   6    -0.02   0.08   0.02     0.03  -0.04  -0.01     0.01   0.03   0.08
    18   7    -0.02   0.08   0.06     0.03  -0.04  -0.01     0.01   0.05   0.11
    19   6    -0.04   0.02  -0.14     0.02  -0.05  -0.01    -0.04  -0.04  -0.07
    20   6    -0.05   0.04  -0.11     0.03  -0.04   0.04    -0.04  -0.06  -0.09
    21   6    -0.04   0.09  -0.02     0.03  -0.03   0.06    -0.01  -0.02  -0.01
    22   6    -0.03   0.11   0.05     0.04  -0.03   0.03     0.01   0.02   0.08
    23   6     0.01  -0.02  -0.00     0.02   0.03  -0.06    -0.03  -0.04  -0.02
    24   6     0.01   0.00  -0.02     0.01   0.04  -0.11     0.02  -0.01  -0.05
    25   6    -0.05   0.08  -0.00     0.03  -0.02   0.08     0.00  -0.03  -0.03
    26   6     0.01  -0.01  -0.01     0.00   0.06  -0.13     0.01  -0.02  -0.05
    27   6     0.00  -0.01  -0.00    -0.01   0.02  -0.08     0.00  -0.02  -0.04
    28   6     0.01   0.00  -0.00    -0.01  -0.02  -0.01     0.00  -0.02  -0.03
    29   6     0.01   0.01  -0.01     0.01  -0.02  -0.01     0.02  -0.01  -0.04
    30   6     0.01   0.01  -0.02     0.02   0.01  -0.07     0.02  -0.01  -0.05
    31   6     0.04  -0.01  -0.04    -0.01   0.02  -0.02    -0.02  -0.04  -0.01
    32   6     0.04  -0.01  -0.04    -0.03   0.01   0.01    -0.01  -0.03  -0.02
    33   6     0.03  -0.03  -0.00    -0.04   0.02   0.00    -0.00  -0.02  -0.03
    34   6     0.00  -0.04   0.03    -0.00   0.04  -0.04    -0.02  -0.02  -0.04
    35   6    -0.00  -0.04   0.03     0.01   0.05  -0.07    -0.03  -0.03  -0.03
    36   6    -0.04   0.03   0.08     0.03  -0.03   0.09     0.02  -0.02  -0.02
    37   6    -0.03  -0.01   0.10     0.00  -0.02   0.05     0.02  -0.01  -0.01
    38   6    -0.04  -0.00   0.04    -0.03  -0.00   0.00     0.02  -0.01  -0.02
    39   6    -0.05   0.04  -0.05    -0.02  -0.00   0.00     0.00  -0.02  -0.04
    40   6    -0.06   0.08  -0.07     0.00  -0.01   0.05     0.00  -0.02  -0.04
    41   7     0.04  -0.03  -0.00    -0.05   0.03   0.03     0.01  -0.01  -0.04
    42   7     0.01   0.00   0.01    -0.03  -0.03   0.03    -0.01  -0.01  -0.02
    43   7    -0.04  -0.03   0.04    -0.04  -0.01  -0.03     0.02  -0.00  -0.02
    44   6     0.01   0.00   0.01    -0.04  -0.03   0.01    -0.01  -0.01  -0.02
    45   6     0.01   0.00  -0.00    -0.02  -0.02  -0.03     0.01  -0.02  -0.07
    46   6     0.01   0.00  -0.00    -0.01  -0.02  -0.03     0.01  -0.02  -0.07
    47   6     0.01   0.00   0.01    -0.02  -0.03   0.02    -0.01  -0.01  -0.02
    48   6     0.05  -0.04  -0.00    -0.06   0.04   0.02     0.01  -0.01  -0.03
    49   6     0.05  -0.05  -0.01    -0.05   0.04   0.01    -0.00  -0.03  -0.08
    50   6     0.05  -0.04  -0.00    -0.05   0.03   0.01    -0.01  -0.03  -0.08
    51   6     0.05  -0.04   0.00    -0.05   0.03   0.02     0.01  -0.01  -0.03
    52   6    -0.05  -0.03   0.04    -0.04  -0.01  -0.02     0.03   0.00  -0.02
    53   6    -0.05   0.01   0.07    -0.04  -0.01   0.00     0.03  -0.02  -0.05
    54   6    -0.04   0.01   0.06    -0.04  -0.01   0.00     0.03  -0.02  -0.05
    55   6    -0.04  -0.03   0.04    -0.05  -0.01  -0.01     0.03   0.00  -0.02
    56   6     0.01   0.01  -0.00     0.01  -0.02  -0.05     0.00  -0.02  -0.06
    57   6     0.01   0.01   0.01     0.00  -0.01  -0.01    -0.04  -0.01   0.02
    58   6     0.01   0.01   0.02    -0.02  -0.01   0.05    -0.07   0.01   0.09
    59   6     0.01   0.01   0.02    -0.03  -0.02   0.06    -0.05   0.00   0.06
    60   6     0.00   0.01   0.02    -0.07  -0.04   0.04    -0.06  -0.00   0.05
    61   6     0.00   0.01   0.02    -0.09  -0.03   0.03    -0.08   0.01   0.08
    62   6     0.01   0.00   0.00    -0.07  -0.02  -0.02    -0.05  -0.00   0.02
    63   6     0.01   0.00  -0.01    -0.04  -0.02  -0.05    -0.01  -0.01  -0.06
    64   6     0.06  -0.04  -0.00    -0.06   0.02  -0.01     0.00  -0.02  -0.06
    65   6     0.08  -0.04   0.01    -0.06   0.02  -0.02     0.02   0.01   0.04
    66   6     0.07  -0.05   0.01    -0.06   0.03   0.00     0.04   0.04   0.11
    67   6     0.06  -0.05   0.01    -0.05   0.03   0.02     0.03   0.02   0.06
    68   6     0.07  -0.04   0.01    -0.09   0.05   0.02     0.05   0.01   0.06
    69   6     0.07  -0.06   0.01    -0.09   0.07   0.00     0.06   0.02   0.11
    70   6     0.06  -0.07  -0.00    -0.08   0.08  -0.00     0.04  -0.01   0.04
    71   6     0.05  -0.06  -0.01    -0.05   0.07  -0.00     0.00  -0.04  -0.05
    72   6    -0.04  -0.00   0.05    -0.05  -0.03   0.03     0.03  -0.00  -0.05
    73   6    -0.04  -0.05  -0.00    -0.07  -0.03   0.03     0.04   0.04  -0.00
    74   6    -0.04  -0.09  -0.04    -0.09  -0.02   0.02     0.05   0.07   0.03
    75   6    -0.04  -0.07  -0.01    -0.08  -0.01  -0.00     0.04   0.04   0.02
    76   6    -0.08  -0.10  -0.00    -0.04  -0.01  -0.02     0.04   0.05   0.02
    77   6    -0.10  -0.10  -0.01    -0.03   0.00  -0.00     0.05   0.06   0.04
    78   6    -0.10  -0.03   0.03    -0.03   0.01   0.02     0.05   0.03   0.00
    79   6    -0.08   0.02   0.07    -0.03   0.00   0.02     0.04  -0.02  -0.04
    80   8     0.05   0.00  -0.02     0.10  -0.08   0.02    -0.08   0.06   0.00
    81  15     0.04   0.05  -0.04     0.09  -0.02   0.02    -0.07   0.01   0.01
    82   8     0.04   0.14  -0.06     0.08   0.09   0.01    -0.06  -0.03   0.01
    83   8     0.06   0.04  -0.02     0.14  -0.02   0.04    -0.10   0.01  -0.00
    84   6    -0.02   0.01   0.01     0.01   0.03   0.04    -0.04   0.01  -0.01
    85   6    -0.01  -0.02  -0.02    -0.00   0.05   0.06    -0.03   0.03  -0.01
    86   6    -0.01   0.04  -0.00     0.01  -0.05  -0.03     0.02   0.01  -0.01
    87   6    -0.02   0.02   0.02    -0.00  -0.02  -0.07     0.02   0.04  -0.03
    88   1    -0.02   0.00   0.01     0.03   0.02  -0.07    -0.02  -0.03   0.07
    89   1    -0.01   0.00   0.01     0.04   0.00   0.03    -0.04  -0.00  -0.04
    90   1    -0.02   0.00  -0.02     0.05   0.01   0.00    -0.06  -0.03  -0.09
    91   1    -0.01  -0.00   0.00     0.06   0.05  -0.11    -0.01  -0.02   0.05
    92   1     0.02   0.01  -0.04    -0.03   0.01   0.01     0.07   0.01  -0.11
    93   1     0.01   0.02  -0.03    -0.06  -0.03   0.11     0.03   0.01  -0.05
    94   1    -0.05  -0.02  -0.22     0.02  -0.06  -0.04    -0.06  -0.07  -0.13
    95   1    -0.05   0.03  -0.17     0.03  -0.03   0.05    -0.06  -0.10  -0.16
    96   1    -0.02   0.14   0.11     0.05  -0.03   0.04     0.02   0.05   0.13
    97   1     0.01  -0.01  -0.01    -0.00   0.08  -0.17     0.00  -0.02  -0.05
    98   1    -0.00  -0.02   0.01    -0.02   0.03  -0.08    -0.00  -0.02  -0.03
    99   1     0.01   0.02  -0.02     0.02  -0.05   0.03     0.02  -0.01  -0.03
   100   1     0.02   0.02  -0.03     0.02   0.00  -0.06     0.02  -0.02  -0.05
   101   1     0.05  -0.01  -0.06    -0.02   0.03  -0.01    -0.02  -0.06  -0.00
   102   1     0.05   0.00  -0.06    -0.04  -0.01   0.04    -0.01  -0.04  -0.01
   103   1    -0.01  -0.04   0.06     0.00   0.04  -0.05    -0.02  -0.00  -0.04
   104   1    -0.01  -0.06   0.06     0.02   0.07  -0.11    -0.03  -0.03  -0.02
   105   1    -0.05   0.03   0.13     0.04  -0.03   0.12     0.03  -0.02  -0.02
   106   1    -0.01  -0.03   0.16     0.01  -0.01   0.05     0.03  -0.02   0.01
   107   1    -0.04   0.05  -0.11    -0.03   0.00  -0.03    -0.01  -0.01  -0.04
   108   1    -0.07   0.11  -0.13    -0.00  -0.02   0.05     0.00  -0.02  -0.04
   109   1     0.02   0.01  -0.01     0.02  -0.02  -0.08     0.02  -0.03  -0.10
   110   1     0.01   0.01   0.01     0.01  -0.00  -0.02    -0.05  -0.01   0.04
   111   1     0.01   0.01   0.03    -0.02  -0.00   0.09    -0.10   0.02   0.16
   112   1     0.00   0.01   0.03    -0.04  -0.01   0.11    -0.08   0.02   0.10
   113   1    -0.00   0.01   0.03    -0.08  -0.05   0.07    -0.08   0.00   0.10
   114   1    -0.00   0.01   0.03    -0.11  -0.04   0.06    -0.12   0.02   0.16
   115   1     0.01   0.00   0.00    -0.08  -0.02  -0.02    -0.06   0.01   0.04
   116   1     0.02  -0.00  -0.02    -0.02  -0.00  -0.08     0.01  -0.01  -0.10
   117   1     0.07  -0.03  -0.01    -0.06   0.02  -0.02    -0.01  -0.04  -0.10
   118   1     0.08  -0.04   0.02    -0.06   0.02  -0.03     0.03   0.02   0.07
   119   1     0.08  -0.05   0.02    -0.06   0.02  -0.00     0.07   0.07   0.19
   120   1     0.06  -0.06   0.01    -0.05   0.04   0.03     0.05   0.04   0.11
   121   1     0.08  -0.03   0.02    -0.11   0.03   0.02     0.07   0.04   0.11
   122   1     0.08  -0.06   0.02    -0.11   0.07  -0.00     0.09   0.04   0.19
   123   1     0.06  -0.08  -0.01    -0.08   0.09  -0.01     0.05  -0.01   0.07
   124   1     0.03  -0.07  -0.01    -0.04   0.08  -0.01    -0.02  -0.05  -0.09
   125   1    -0.04   0.02   0.08    -0.04  -0.03   0.04     0.02  -0.02  -0.07
   126   1    -0.04  -0.06  -0.02    -0.08  -0.03   0.05     0.05   0.06   0.01
   127   1    -0.04  -0.13  -0.08    -0.10  -0.02   0.02     0.06   0.10   0.07
   128   1    -0.04  -0.10  -0.04    -0.09  -0.00  -0.02     0.05   0.06   0.05
   129   1    -0.07  -0.15  -0.03    -0.04  -0.01  -0.03     0.04   0.08   0.04
   130   1    -0.11  -0.15  -0.05    -0.02   0.01  -0.01     0.05   0.10   0.07
   131   1    -0.12  -0.03   0.03    -0.02   0.02   0.03     0.05   0.03   0.02
   132   1    -0.08   0.07   0.09    -0.03   0.01   0.03     0.04  -0.05  -0.05
   133   1    -0.09   0.03   0.11    -0.04   0.04   0.08    -0.03  -0.00  -0.04
   134   1    -0.02  -0.09  -0.03     0.00  -0.04   0.00    -0.03   0.03   0.01
   135   1    -0.07  -0.13   0.05    -0.08   0.00   0.09    -0.01   0.06  -0.03
   136   1     0.06  -0.05  -0.14     0.05   0.04   0.02    -0.04   0.04   0.03
   137   1    -0.02   0.10   0.03     0.00   0.13   0.11    -0.03  -0.00  -0.03
   138   1    -0.03   0.02   0.02    -0.04  -0.16   0.01     0.07   0.06  -0.05
   139   1    -0.03   0.09  -0.03    -0.03   0.00  -0.09     0.06  -0.06   0.05
   140   1     0.01  -0.03   0.05     0.05  -0.08   0.02    -0.03   0.13  -0.10
   141   1    -0.08   0.02   0.02    -0.13  -0.04  -0.13     0.14   0.04  -0.04
   142   1     0.01   0.05  -0.01     0.06   0.11  -0.12    -0.04  -0.02   0.02
   143  17     0.03   0.01   0.03     0.26   0.01   0.04     0.09   0.11   0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --    109.8986               110.9822               112.3619
 Red. masses --      5.5151                 4.6352                 4.8135
 Frc consts  --      0.0392                 0.0336                 0.0358
 IR Inten    --      0.2087                 0.1793                 0.2197
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.04    -0.00  -0.00   0.00    -0.01  -0.00  -0.01
     2   6     0.01  -0.04  -0.09     0.00  -0.00  -0.00    -0.01   0.00   0.05
     3   6     0.02  -0.03  -0.11     0.01   0.00   0.00    -0.01   0.00   0.05
     4   6     0.02  -0.01  -0.04     0.01   0.00   0.01    -0.02   0.00   0.01
     5   6     0.00   0.01   0.09     0.00   0.01   0.03    -0.02  -0.01  -0.06
     6   6    -0.01   0.00   0.14    -0.00   0.00   0.03    -0.02  -0.01  -0.08
     7   6     0.02  -0.03  -0.11     0.01   0.00  -0.01    -0.01   0.00   0.05
     8   6     0.02  -0.02  -0.06     0.01   0.00  -0.01     0.00   0.01   0.01
     9   6     0.01  -0.01  -0.08     0.01  -0.00  -0.00     0.00   0.01   0.01
    10   6     0.02   0.00  -0.05     0.00  -0.00  -0.01    -0.01   0.01   0.02
    11   6     0.02  -0.05  -0.07     0.01   0.01  -0.02    -0.01   0.01   0.04
    12   6    -0.00  -0.06   0.05     0.00   0.02  -0.02     0.01   0.01  -0.03
    13   6    -0.02  -0.07   0.12    -0.00   0.01  -0.02     0.02   0.02  -0.07
    14   6    -0.00  -0.04   0.05    -0.00   0.00  -0.01     0.02   0.02  -0.05
    15   7    -0.00  -0.01  -0.06     0.01  -0.00  -0.00     0.01   0.01  -0.00
    16   6     0.00  -0.02  -0.04     0.01   0.00   0.00     0.00   0.03   0.01
    17   6     0.03   0.01   0.03     0.00  -0.01  -0.02    -0.01   0.04   0.01
    18   7     0.04   0.03   0.03     0.00  -0.01  -0.03    -0.02   0.02   0.02
    19   6    -0.03  -0.06  -0.09     0.01   0.02   0.03     0.01   0.04   0.01
    20   6    -0.01  -0.07  -0.04     0.01   0.02   0.03    -0.00   0.05   0.00
    21   6     0.03  -0.03   0.06     0.00   0.00   0.00    -0.01   0.04  -0.01
    22   6     0.05   0.01   0.09    -0.00  -0.01  -0.03    -0.01   0.04   0.00
    23   6    -0.02  -0.03   0.06    -0.01  -0.01  -0.01    -0.00  -0.00  -0.01
    24   6    -0.01  -0.07   0.08    -0.01   0.03  -0.01     0.00   0.02  -0.03
    25   6     0.03  -0.04   0.07     0.00   0.00  -0.00    -0.02   0.02  -0.03
    26   6     0.00  -0.04   0.05    -0.02   0.02  -0.01    -0.01   0.01  -0.01
    27   6     0.00   0.00   0.01    -0.03   0.02   0.02    -0.02  -0.00   0.01
    28   6     0.01   0.01  -0.00    -0.02   0.02   0.04    -0.01   0.00   0.01
    29   6    -0.00  -0.03   0.05    -0.01   0.03   0.03     0.00   0.02  -0.01
    30   6    -0.00  -0.07   0.09    -0.00   0.03   0.00     0.01   0.03  -0.03
    31   6    -0.01  -0.01   0.03    -0.02  -0.01  -0.02     0.01  -0.01   0.01
    32   6     0.00   0.01  -0.01    -0.03  -0.01  -0.04     0.01  -0.01   0.02
    33   6    -0.00   0.01  -0.01    -0.02  -0.03  -0.05     0.01   0.01   0.02
    34   6    -0.02  -0.02   0.05    -0.01  -0.04  -0.03     0.01   0.02  -0.01
    35   6    -0.03  -0.03   0.08    -0.00  -0.03  -0.01    -0.00   0.01  -0.02
    36   6     0.04  -0.05   0.09    -0.00  -0.00  -0.00    -0.04  -0.01  -0.01
    37   6     0.02  -0.04   0.05    -0.01  -0.00  -0.00    -0.03  -0.05  -0.01
    38   6    -0.01  -0.03  -0.02    -0.00  -0.00   0.00    -0.00  -0.05  -0.03
    39   6    -0.01  -0.02  -0.02     0.00  -0.00   0.01     0.02  -0.03  -0.04
    40   6     0.02  -0.03   0.03     0.00  -0.00   0.00     0.01   0.01  -0.04
    41   7     0.00   0.01  -0.04    -0.02  -0.03  -0.07     0.02   0.01   0.04
    42   7     0.02   0.03  -0.04    -0.03   0.01   0.07    -0.02  -0.00   0.04
    43   7    -0.03  -0.03  -0.06    -0.01  -0.01  -0.00    -0.01  -0.08  -0.05
    44   6     0.02   0.03  -0.02    -0.03   0.01   0.06    -0.02  -0.00   0.03
    45   6     0.02   0.02  -0.01    -0.05   0.02   0.11    -0.03   0.00   0.05
    46   6     0.01   0.01  -0.01    -0.05   0.02   0.11    -0.03   0.00   0.05
    47   6     0.01   0.02  -0.03    -0.03   0.01   0.06    -0.02  -0.00   0.03
    48   6     0.00   0.01  -0.03    -0.02  -0.02  -0.06     0.02   0.00   0.03
    49   6    -0.00   0.00  -0.02    -0.03  -0.04  -0.13     0.02   0.01   0.06
    50   6    -0.01   0.01  -0.02    -0.03  -0.04  -0.13     0.02   0.01   0.05
    51   6    -0.01   0.02  -0.03    -0.01  -0.02  -0.06     0.02   0.00   0.03
    52   6    -0.02  -0.02  -0.05    -0.01  -0.01   0.00    -0.02  -0.07  -0.04
    53   6    -0.02  -0.05  -0.07    -0.01  -0.01  -0.00    -0.02  -0.11  -0.10
    54   6    -0.03  -0.06  -0.06    -0.01  -0.01  -0.00    -0.01  -0.11  -0.11
    55   6    -0.04  -0.03  -0.05    -0.01  -0.00   0.00    -0.00  -0.06  -0.04
    56   6    -0.00   0.00   0.00    -0.03   0.01   0.06    -0.01  -0.00   0.02
    57   6    -0.02   0.00   0.00     0.03  -0.02  -0.07     0.01  -0.01  -0.03
    58   6    -0.02   0.01  -0.01     0.07  -0.03  -0.14     0.02  -0.02  -0.06
    59   6    -0.01   0.02  -0.03     0.03  -0.02  -0.07     0.01  -0.01  -0.02
    60   6     0.04   0.04  -0.01     0.03  -0.02  -0.07    -0.00  -0.02  -0.02
    61   6     0.05   0.04   0.01     0.06  -0.03  -0.14     0.01  -0.02  -0.06
    62   6     0.04   0.02   0.03     0.03  -0.02  -0.07    -0.00  -0.01  -0.04
    63   6     0.03   0.01   0.02    -0.03   0.01   0.06    -0.02   0.00   0.02
    64   6    -0.02   0.01   0.00    -0.02  -0.03  -0.08     0.02   0.00   0.03
    65   6    -0.03   0.03   0.02     0.03   0.02   0.08     0.01  -0.02  -0.04
    66   6    -0.02   0.04   0.01     0.05   0.05   0.17    -0.00  -0.03  -0.07
    67   6    -0.01   0.04  -0.02     0.03   0.03   0.09     0.00  -0.02  -0.03
    68   6     0.02   0.01  -0.01     0.02   0.03   0.09     0.01  -0.02  -0.03
    69   6     0.02   0.01   0.00     0.04   0.06   0.17    -0.00  -0.04  -0.07
    70   6     0.01   0.00   0.01     0.02   0.03   0.08     0.00  -0.03  -0.03
    71   6     0.00   0.00  -0.00    -0.02  -0.02  -0.08     0.02  -0.00   0.03
    72   6    -0.03  -0.05  -0.02    -0.01  -0.01   0.00    -0.01  -0.06  -0.07
    73   6    -0.05   0.02   0.05    -0.01  -0.00   0.01     0.01   0.06   0.07
    74   6    -0.06   0.06   0.09    -0.01   0.00   0.01     0.02   0.12   0.15
    75   6    -0.05   0.04   0.03    -0.01   0.00   0.01     0.01   0.05   0.08
    76   6    -0.01   0.04   0.01    -0.01  -0.00   0.01    -0.02   0.04   0.09
    77   6     0.00   0.09   0.06    -0.01   0.00   0.01    -0.03   0.11   0.17
    78   6     0.00   0.05   0.04    -0.01   0.00   0.01    -0.04   0.05   0.09
    79   6    -0.01  -0.02  -0.03    -0.01  -0.00  -0.00    -0.03  -0.06  -0.06
    80   8     0.03   0.05   0.04     0.01  -0.00  -0.01     0.02  -0.03  -0.03
    81  15     0.01   0.04  -0.01     0.01   0.00   0.00     0.03   0.00  -0.01
    82   8     0.02   0.09  -0.04     0.01   0.01   0.00     0.02   0.03  -0.01
    83   8    -0.02   0.02  -0.00     0.02   0.00   0.01     0.06   0.01  -0.00
    84   6    -0.02  -0.00   0.01     0.02   0.00   0.01     0.02   0.01   0.00
    85   6    -0.02  -0.02  -0.00     0.01  -0.01   0.00     0.02  -0.01  -0.00
    86   6     0.01   0.02  -0.02    -0.00   0.00   0.00    -0.00   0.01   0.01
    87   6     0.01   0.05  -0.05    -0.00  -0.00   0.00    -0.02  -0.02   0.03
    88   1     0.01  -0.06  -0.14     0.01  -0.01  -0.01    -0.01   0.01   0.09
    89   1    -0.00   0.03   0.16     0.00   0.01   0.04    -0.02  -0.01  -0.11
    90   1    -0.01   0.02   0.24    -0.00   0.01   0.04    -0.02  -0.01  -0.14
    91   1     0.02  -0.06  -0.11     0.01   0.02  -0.02    -0.01   0.01   0.07
    92   1    -0.04  -0.08   0.20    -0.01   0.01  -0.02     0.04   0.03  -0.12
    93   1    -0.01  -0.04   0.08    -0.01  -0.00  -0.01     0.03   0.02  -0.07
    94   1    -0.07  -0.09  -0.16     0.02   0.03   0.05     0.02   0.04   0.01
    95   1    -0.03  -0.11  -0.08     0.02   0.03   0.06     0.00   0.06   0.00
    96   1     0.09   0.03   0.14    -0.00  -0.02  -0.05    -0.02   0.04  -0.00
    97   1     0.00  -0.04   0.06    -0.03   0.02  -0.02    -0.02  -0.00  -0.02
    98   1     0.00   0.03  -0.02    -0.04   0.02   0.02    -0.02  -0.01   0.02
    99   1    -0.00  -0.03   0.04    -0.00   0.03   0.04     0.01   0.04  -0.01
   100   1     0.00  -0.09   0.11     0.01   0.04  -0.00     0.01   0.04  -0.04
   101   1    -0.01   0.00   0.02    -0.03   0.00  -0.02     0.01  -0.03   0.01
   102   1     0.02   0.03  -0.05    -0.04  -0.01  -0.04     0.01  -0.01   0.04
   103   1    -0.02  -0.03   0.06    -0.01  -0.05  -0.03     0.01   0.04  -0.01
   104   1    -0.04  -0.05   0.11     0.00  -0.03  -0.00    -0.00   0.02  -0.03
   105   1     0.06  -0.05   0.13    -0.01  -0.00  -0.00    -0.06  -0.01   0.00
   106   1     0.02  -0.04   0.06    -0.01  -0.00  -0.01    -0.04  -0.07   0.00
   107   1    -0.02  -0.01  -0.07     0.00  -0.00   0.01     0.04  -0.03  -0.06
   108   1     0.02  -0.03   0.02     0.00  -0.00   0.01     0.02   0.03  -0.06
   109   1    -0.01  -0.00   0.02    -0.05   0.02   0.11    -0.02   0.00   0.03
   110   1    -0.03  -0.00   0.02     0.06  -0.03  -0.13     0.02  -0.02  -0.06
   111   1    -0.03   0.01  -0.01     0.12  -0.05  -0.26     0.05  -0.03  -0.10
   112   1    -0.01   0.03  -0.04     0.06  -0.03  -0.12     0.02  -0.02  -0.04
   113   1     0.05   0.06  -0.03     0.06  -0.04  -0.13     0.01  -0.03  -0.04
   114   1     0.06   0.05   0.02     0.11  -0.06  -0.26     0.03  -0.03  -0.11
   115   1     0.05   0.02   0.06     0.05  -0.03  -0.13     0.01  -0.02  -0.07
   116   1     0.02  -0.01   0.04    -0.05   0.02   0.11    -0.03   0.01   0.03
   117   1    -0.02   0.00   0.02    -0.03  -0.04  -0.13     0.03   0.01   0.05
   118   1    -0.03   0.04   0.04     0.04   0.04   0.14    -0.00  -0.03  -0.07
   119   1    -0.03   0.05   0.02     0.09   0.10   0.30    -0.02  -0.05  -0.12
   120   1    -0.01   0.05  -0.03     0.05   0.05   0.15    -0.01  -0.03  -0.05
   121   1     0.02   0.01  -0.01     0.04   0.06   0.16     0.00  -0.03  -0.06
   122   1     0.03   0.01   0.02     0.08   0.11   0.30    -0.01  -0.06  -0.12
   123   1     0.02   0.00   0.02     0.03   0.05   0.14    -0.00  -0.04  -0.06
   124   1    -0.00  -0.00   0.00    -0.03  -0.04  -0.13     0.02  -0.00   0.05
   125   1    -0.02  -0.07  -0.04    -0.01  -0.01   0.00    -0.01  -0.10  -0.11
   126   1    -0.05   0.04   0.10    -0.01  -0.00   0.01     0.01   0.11   0.12
   127   1    -0.07   0.12   0.15    -0.01   0.01   0.02     0.03   0.23   0.27
   128   1    -0.06   0.08   0.05    -0.01   0.00   0.01     0.01   0.11   0.14
   129   1    -0.01   0.08   0.03    -0.01  -0.00   0.01    -0.02   0.08   0.15
   130   1     0.01   0.15   0.12    -0.01   0.01   0.02    -0.03   0.21   0.29
   131   1     0.02   0.08   0.08    -0.01   0.00   0.01    -0.04   0.11   0.14
   132   1    -0.01  -0.04  -0.04    -0.01  -0.00  -0.00    -0.04  -0.09  -0.11
   133   1    -0.07   0.01   0.08     0.02   0.01   0.01     0.02   0.01   0.02
   134   1    -0.02  -0.08  -0.01     0.01   0.01   0.01     0.02   0.00  -0.00
   135   1    -0.06  -0.10   0.04     0.02  -0.01   0.01     0.02  -0.03   0.01
   136   1     0.04  -0.04  -0.09     0.01  -0.01  -0.00     0.01  -0.02  -0.02
   137   1    -0.02   0.07   0.03     0.01  -0.01   0.00     0.02  -0.01   0.00
   138   1     0.02   0.01  -0.03    -0.01  -0.01   0.01    -0.03  -0.01   0.03
   139   1     0.01  -0.01  -0.02    -0.01   0.01  -0.01    -0.02   0.05  -0.01
   140   1     0.00   0.08  -0.06     0.00  -0.02   0.02     0.01  -0.07   0.06
   141   1     0.03   0.04  -0.08    -0.03  -0.00  -0.00    -0.07  -0.01   0.05
   142   1     0.00   0.06  -0.05     0.01   0.02  -0.01     0.01   0.01   0.01
   143  17    -0.02   0.03  -0.07     0.02  -0.00  -0.00     0.01  -0.02   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --    114.4111               123.6812               131.5191
 Red. masses --      5.1435                 5.6640                 5.7853
 Frc consts  --      0.0397                 0.0510                 0.0590
 IR Inten    --      6.9285                 3.1629                 0.0748
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.04  -0.00    -0.00  -0.01  -0.05    -0.04  -0.02   0.01
     2   6     0.02   0.04  -0.02    -0.01  -0.02  -0.17    -0.04  -0.02  -0.01
     3   6     0.01   0.03  -0.01    -0.00  -0.02  -0.07    -0.04  -0.01  -0.03
     4   6     0.01   0.02   0.01    -0.01  -0.00   0.07    -0.04  -0.02  -0.02
     5   6     0.03   0.02   0.05     0.01   0.01   0.23    -0.04  -0.02  -0.01
     6   6     0.04   0.04   0.04     0.01   0.01   0.18    -0.04  -0.02   0.01
     7   6    -0.00   0.03  -0.01     0.01  -0.02  -0.06    -0.03  -0.00  -0.04
     8   6    -0.01   0.02  -0.01     0.01  -0.01   0.01    -0.08  -0.02   0.06
     9   6    -0.01   0.01   0.00     0.01  -0.01  -0.01    -0.05  -0.03   0.01
    10   6    -0.01   0.01  -0.02    -0.01  -0.00   0.03    -0.06  -0.04  -0.02
    11   6    -0.02   0.04   0.01     0.02  -0.04  -0.07    -0.01   0.03  -0.12
    12   6    -0.03   0.03   0.04     0.02  -0.05   0.00    -0.05   0.04  -0.05
    13   6    -0.04   0.03   0.05     0.01  -0.05   0.06    -0.13  -0.02   0.14
    14   6    -0.03   0.02   0.02     0.00  -0.02   0.05    -0.14  -0.04   0.18
    15   7     0.01   0.01  -0.01     0.00   0.00  -0.00    -0.05  -0.03  -0.02
    16   6     0.01   0.03  -0.00     0.01   0.03   0.03    -0.05  -0.02  -0.03
    17   6    -0.01  -0.00  -0.07    -0.02   0.01  -0.02    -0.06  -0.02  -0.03
    18   7    -0.02  -0.02  -0.08    -0.02   0.01  -0.00    -0.07  -0.04  -0.04
    19   6     0.03   0.07   0.09     0.03   0.07   0.09    -0.04  -0.00  -0.03
    20   6     0.03   0.08   0.09     0.02   0.08   0.05    -0.03   0.03   0.00
    21   6    -0.01   0.04  -0.01    -0.02   0.04  -0.04    -0.03   0.04   0.02
    22   6    -0.02  -0.00  -0.08    -0.04   0.01  -0.06    -0.05   0.02   0.00
    23   6     0.03   0.03  -0.02     0.01  -0.00  -0.09    -0.03  -0.02   0.02
    24   6    -0.02   0.02   0.03     0.01  -0.06   0.02    -0.02   0.08  -0.11
    25   6    -0.01   0.03  -0.02    -0.04   0.03  -0.07    -0.02   0.05   0.03
    26   6     0.02   0.02   0.03    -0.00  -0.04   0.00     0.00   0.08  -0.11
    27   6     0.04  -0.00  -0.00    -0.01  -0.01  -0.01     0.00   0.04  -0.07
    28   6     0.02  -0.02  -0.03    -0.01   0.00   0.00     0.02   0.01  -0.00
    29   6    -0.02  -0.03  -0.02     0.01  -0.02   0.03    -0.00   0.04  -0.04
    30   6    -0.04  -0.00   0.01     0.02  -0.05   0.04    -0.01   0.09  -0.10
    31   6     0.01   0.04  -0.04     0.04   0.01  -0.12    -0.01  -0.02   0.02
    32   6    -0.01   0.02  -0.04     0.05   0.01  -0.08     0.00  -0.01   0.00
    33   6    -0.01  -0.02  -0.02     0.01   0.00   0.00     0.00  -0.00   0.00
    34   6     0.01  -0.03  -0.01    -0.02   0.00   0.01    -0.02  -0.01   0.02
    35   6     0.04   0.00  -0.01    -0.02   0.00  -0.04    -0.03  -0.02   0.03
    36   6    -0.03   0.01  -0.02    -0.05   0.03  -0.08    -0.03   0.04   0.02
    37   6    -0.03  -0.01  -0.02    -0.03   0.01  -0.04    -0.03   0.01   0.01
    38   6    -0.01  -0.02  -0.01     0.00  -0.00  -0.00     0.01   0.00  -0.00
    39   6     0.02  -0.00   0.00     0.00   0.01  -0.02     0.03   0.01   0.02
    40   6     0.01   0.02  -0.00    -0.02   0.03  -0.06     0.02   0.04   0.03
    41   7    -0.02  -0.04  -0.03     0.01   0.01   0.07     0.01   0.00  -0.01
    42   7     0.04  -0.02  -0.08    -0.01   0.02   0.00     0.01  -0.02   0.07
    43   7    -0.01  -0.04  -0.01     0.01  -0.01   0.03     0.02  -0.03  -0.03
    44   6     0.03  -0.02  -0.06    -0.01   0.02   0.00     0.02  -0.01   0.06
    45   6     0.05  -0.02  -0.11    -0.01   0.01   0.02     0.03  -0.00   0.04
    46   6     0.06  -0.02  -0.10    -0.02   0.01   0.01     0.04   0.01   0.04
    47   6     0.04  -0.02  -0.06    -0.02   0.02   0.00     0.04  -0.01   0.06
    48   6    -0.02  -0.03  -0.03     0.01   0.01   0.06     0.02  -0.00  -0.01
    49   6    -0.02  -0.03  -0.07     0.01   0.01   0.05     0.02  -0.01  -0.00
    50   6    -0.01  -0.04  -0.07     0.02   0.01   0.05     0.01  -0.00   0.00
    51   6    -0.01  -0.04  -0.03     0.01   0.00   0.05     0.01  -0.00  -0.01
    52   6    -0.01  -0.03  -0.01     0.00  -0.01   0.03     0.02  -0.02  -0.03
    53   6    -0.02  -0.05  -0.03    -0.00  -0.01   0.01     0.02  -0.02  -0.03
    54   6    -0.01  -0.04  -0.03     0.01  -0.01   0.00     0.02  -0.01  -0.03
    55   6    -0.01  -0.03  -0.01     0.02  -0.01   0.02     0.03  -0.02  -0.03
    56   6     0.03  -0.00  -0.05    -0.02  -0.00   0.00     0.07   0.05   0.02
    57   6    -0.02   0.02   0.08    -0.02  -0.01  -0.03     0.12   0.06   0.03
    58   6    -0.04   0.03   0.14    -0.02  -0.00  -0.04     0.13   0.03   0.05
    59   6    -0.00   0.01   0.05    -0.02   0.01  -0.02     0.10  -0.00   0.07
    60   6    -0.02   0.00   0.05     0.01   0.02  -0.01     0.03  -0.00   0.06
    61   6    -0.06   0.02   0.13     0.03   0.02  -0.02     0.05  -0.01   0.03
    62   6    -0.04   0.01   0.07     0.02   0.01  -0.00     0.06  -0.01  -0.01
    63   6     0.02  -0.01  -0.05     0.00   0.01   0.02     0.05  -0.01  -0.00
    64   6     0.01  -0.03  -0.04     0.02  -0.01   0.01     0.02   0.00   0.01
    65   6     0.04  -0.01   0.05     0.01  -0.03  -0.03     0.02  -0.00   0.00
    66   6     0.05  -0.00   0.10     0.01  -0.03  -0.03     0.01  -0.00  -0.01
    67   6     0.02  -0.02   0.05     0.01  -0.02   0.02     0.01  -0.01  -0.01
    68   6    -0.01   0.01   0.05    -0.01   0.00   0.03     0.04  -0.01  -0.01
    69   6     0.01   0.03   0.10    -0.02  -0.01  -0.03     0.04  -0.03  -0.01
    70   6     0.00   0.02   0.04    -0.02  -0.01  -0.05     0.03  -0.03  -0.00
    71   6    -0.01  -0.01  -0.04    -0.00  -0.00  -0.00     0.02  -0.02   0.00
    72   6    -0.01  -0.03  -0.01     0.01  -0.00  -0.01     0.03   0.03  -0.02
    73   6    -0.01   0.02   0.03     0.03   0.00  -0.01     0.05   0.05   0.00
    74   6    -0.00   0.04   0.06     0.04   0.01   0.01     0.06   0.03  -0.01
    75   6    -0.01   0.01   0.03     0.03  -0.00   0.02     0.05  -0.01  -0.03
    76   6    -0.02  -0.00   0.04    -0.01  -0.01   0.04     0.04   0.01  -0.02
    77   6    -0.03   0.03   0.07    -0.03  -0.01   0.03     0.05   0.03   0.01
    78   6    -0.04   0.01   0.04    -0.03  -0.02   0.01     0.05   0.02   0.01
    79   6    -0.03  -0.02  -0.02    -0.02  -0.01  -0.00     0.04  -0.01  -0.01
    80   8     0.03  -0.05  -0.04    -0.05   0.01  -0.05     0.01  -0.03   0.06
    81  15     0.03  -0.01  -0.03    -0.04  -0.02  -0.03    -0.02  -0.03   0.00
    82   8     0.02   0.00  -0.02    -0.05  -0.07  -0.01     0.00  -0.01  -0.03
    83   8     0.06  -0.00  -0.02    -0.04  -0.02  -0.03    -0.05  -0.04  -0.01
    84   6     0.02  -0.00  -0.02    -0.02  -0.00  -0.04    -0.04  -0.01  -0.03
    85   6     0.01  -0.02  -0.02    -0.02   0.01  -0.04    -0.05   0.03  -0.00
    86   6    -0.02   0.01   0.01    -0.01  -0.00   0.00    -0.01  -0.04  -0.01
    87   6    -0.02  -0.05   0.06    -0.00  -0.03   0.03     0.01  -0.03  -0.01
    88   1     0.01   0.05  -0.04    -0.02  -0.03  -0.30    -0.04  -0.03  -0.01
    89   1     0.03   0.01   0.07     0.01   0.02   0.38    -0.04  -0.02  -0.00
    90   1     0.05   0.04   0.07     0.03   0.02   0.30    -0.04  -0.02   0.02
    91   1    -0.02   0.04   0.01     0.03  -0.06  -0.11     0.05   0.06  -0.24
    92   1    -0.06   0.02   0.07     0.02  -0.05   0.09    -0.20  -0.02   0.23
    93   1    -0.03   0.01   0.02    -0.00  -0.02   0.07    -0.19  -0.08   0.28
    94   1     0.06   0.10   0.16     0.06   0.10   0.15    -0.02  -0.01  -0.04
    95   1     0.05   0.13   0.16     0.04   0.12   0.09    -0.03   0.04   0.01
    96   1    -0.04  -0.03  -0.14    -0.06  -0.01  -0.11    -0.07   0.02   0.01
    97   1     0.04   0.04   0.05    -0.01  -0.05  -0.01     0.01   0.11  -0.12
    98   1     0.07   0.00  -0.00    -0.03   0.01  -0.03    -0.01   0.03  -0.05
    99   1    -0.03  -0.05  -0.04     0.02  -0.02   0.05    -0.01   0.01  -0.03
   100   1    -0.07  -0.00   0.01     0.04  -0.07   0.06     0.01   0.10  -0.12
   101   1     0.01   0.07  -0.05     0.06   0.01  -0.15    -0.01  -0.03   0.01
   102   1    -0.03   0.02  -0.05     0.08   0.01  -0.09     0.01  -0.01  -0.01
   103   1     0.01  -0.05   0.00    -0.05  -0.00   0.06    -0.02  -0.00   0.02
   104   1     0.05  -0.01  -0.00    -0.05  -0.00  -0.04    -0.04  -0.03   0.04
   105   1    -0.06   0.02  -0.03    -0.07   0.03  -0.09    -0.05   0.04   0.02
   106   1    -0.04  -0.02  -0.03    -0.03   0.00  -0.04    -0.05  -0.01   0.00
   107   1     0.04  -0.01   0.01     0.02   0.00   0.00     0.05   0.01   0.02
   108   1     0.02   0.03   0.00    -0.02   0.03  -0.06     0.04   0.06   0.04
   109   1     0.04  -0.00  -0.08    -0.01  -0.01   0.01     0.05   0.09  -0.01
   110   1    -0.04   0.04   0.15    -0.01  -0.02  -0.04     0.14   0.08   0.01
   111   1    -0.08   0.05   0.25    -0.02  -0.01  -0.06     0.16   0.04   0.05
   112   1    -0.02   0.01   0.10    -0.02   0.02  -0.03     0.12  -0.04   0.09
   113   1    -0.04   0.01   0.09     0.02   0.03  -0.03     0.02   0.01   0.08
   114   1    -0.11   0.04   0.24     0.04   0.02  -0.04     0.05  -0.01   0.02
   115   1    -0.07   0.02   0.14     0.03   0.00  -0.01     0.08  -0.02  -0.04
   116   1     0.04  -0.01  -0.08    -0.00  -0.00   0.03     0.07  -0.03  -0.02
   117   1     0.01  -0.02  -0.07     0.02  -0.00   0.01     0.02   0.00   0.01
   118   1     0.06   0.01   0.09     0.01  -0.04  -0.07     0.02   0.00   0.01
   119   1     0.08   0.01   0.17    -0.00  -0.05  -0.07     0.01  -0.00  -0.01
   120   1     0.03  -0.02   0.09     0.01  -0.02   0.01     0.01  -0.01  -0.02
   121   1    -0.00   0.02   0.09    -0.01   0.00   0.04     0.05  -0.00  -0.01
   122   1     0.02   0.06   0.17    -0.03  -0.02  -0.06     0.04  -0.03  -0.01
   123   1     0.01   0.04   0.08    -0.03  -0.02  -0.10     0.03  -0.04  -0.00
   124   1    -0.02  -0.02  -0.08    -0.00  -0.00  -0.02     0.01  -0.03   0.01
   125   1    -0.01  -0.04  -0.03     0.00  -0.00  -0.02     0.02   0.05  -0.01
   126   1    -0.01   0.04   0.06     0.03   0.01  -0.02     0.05   0.08   0.03
   127   1     0.00   0.07   0.10     0.05   0.01   0.01     0.07   0.05   0.01
   128   1    -0.01   0.03   0.05     0.04  -0.00   0.03     0.06  -0.02  -0.03
   129   1    -0.02   0.01   0.07    -0.01  -0.02   0.06     0.03   0.02  -0.02
   130   1    -0.04   0.06   0.12    -0.04  -0.02   0.04     0.05   0.05   0.02
   131   1    -0.04   0.04   0.06    -0.04  -0.02   0.00     0.06   0.03   0.02
   132   1    -0.03  -0.03  -0.04    -0.02  -0.01  -0.02     0.04  -0.02  -0.01
   133   1     0.03  -0.00  -0.01     0.00  -0.02  -0.09    -0.07  -0.01  -0.03
   134   1     0.02   0.00  -0.02    -0.02   0.04  -0.02    -0.04  -0.05  -0.05
   135   1     0.02  -0.02  -0.02     0.02   0.07  -0.07    -0.10   0.02  -0.01
   136   1     0.00  -0.02  -0.03    -0.05   0.03   0.02    -0.01   0.02  -0.01
   137   1     0.02  -0.03  -0.02    -0.02  -0.05  -0.07    -0.04   0.07   0.02
   138   1    -0.05  -0.00   0.04    -0.00   0.04  -0.00     0.00  -0.01  -0.02
   139   1    -0.04   0.06  -0.02    -0.00  -0.01   0.02     0.00  -0.06   0.00
   140   1     0.01  -0.12   0.10    -0.02  -0.02   0.01    -0.00   0.00  -0.02
   141   1    -0.10  -0.03   0.10     0.03  -0.02   0.07     0.05  -0.03  -0.00
   142   1     0.02  -0.04   0.03    -0.02  -0.09   0.04    -0.00  -0.06  -0.00
   143  17    -0.06  -0.07  -0.03     0.11   0.09   0.07    -0.00   0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    144.2154               152.4976               152.6562
 Red. masses --      6.4576                 3.7047                 3.6985
 Frc consts  --      0.0791                 0.0508                 0.0508
 IR Inten    --      0.5364                 0.2535                 0.5261
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01     0.01  -0.00   0.00    -0.01   0.00  -0.00
     2   6     0.04  -0.01  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.05   0.00  -0.06     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.04   0.01  -0.07     0.00  -0.01  -0.00    -0.00   0.00   0.00
     5   6     0.02   0.01  -0.12     0.01  -0.01   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00  -0.08     0.01  -0.00   0.00    -0.01   0.00   0.00
     7   6     0.05   0.01  -0.05    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   6     0.03   0.00   0.02    -0.00  -0.01  -0.01    -0.00   0.00   0.00
     9   6     0.03   0.02   0.02     0.00  -0.01  -0.01     0.00   0.00   0.01
    10   6     0.04   0.02   0.01     0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.06   0.02  -0.07    -0.00  -0.00   0.00    -0.00   0.00   0.00
    12   6     0.01   0.01   0.01    -0.01  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.03  -0.01   0.12    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
    14   6    -0.02  -0.01   0.11    -0.00  -0.01  -0.01    -0.00   0.00  -0.00
    15   7     0.05   0.03   0.06     0.00  -0.00  -0.00     0.00  -0.00   0.00
    16   6     0.06   0.05   0.09     0.00   0.00   0.01     0.00  -0.00   0.00
    17   6     0.06   0.06   0.11     0.00   0.00   0.01     0.00  -0.00  -0.00
    18   7     0.06   0.06   0.09     0.00   0.00   0.01     0.00  -0.00  -0.00
    19   6     0.05   0.04   0.05     0.00   0.00   0.00     0.00  -0.00   0.00
    20   6     0.03   0.02  -0.02     0.00   0.00  -0.00     0.00  -0.00  -0.00
    21   6     0.02   0.01  -0.03     0.00   0.00  -0.00     0.00  -0.00   0.00
    22   6     0.04   0.05   0.06     0.00   0.01   0.01     0.00  -0.00  -0.00
    23   6    -0.01  -0.02   0.09     0.01  -0.00   0.00    -0.01   0.00  -0.00
    24   6     0.01   0.02  -0.01    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.02   0.00  -0.10    -0.00   0.00  -0.01     0.01  -0.00   0.00
    26   6     0.01   0.04  -0.03    -0.01   0.01  -0.01    -0.00   0.01  -0.00
    27   6     0.00   0.03  -0.03    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    28   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    29   6     0.00  -0.01   0.01    -0.01  -0.01   0.01    -0.00  -0.00   0.00
    30   6     0.00   0.00   0.00    -0.01  -0.01   0.01    -0.00  -0.00   0.00
    31   6    -0.03  -0.02   0.10     0.01   0.01  -0.01    -0.01  -0.01   0.01
    32   6    -0.03  -0.02   0.07     0.01   0.00  -0.01    -0.01  -0.00   0.01
    33   6    -0.00  -0.00   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    34   6     0.00  -0.02   0.05     0.00  -0.01   0.01    -0.00   0.01  -0.01
    35   6    -0.01  -0.02   0.09     0.00  -0.01   0.01    -0.00   0.01  -0.02
    36   6    -0.02   0.00  -0.10    -0.01   0.00  -0.02     0.00   0.00  -0.01
    37   6    -0.00   0.00  -0.06    -0.00   0.00  -0.01     0.00   0.00  -0.01
    38   6    -0.01  -0.00  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    39   6    -0.03   0.01  -0.08     0.00   0.00  -0.01     0.01  -0.00   0.01
    40   6    -0.04   0.01  -0.12    -0.00   0.00  -0.01     0.01  -0.00   0.02
    41   7    -0.00   0.00  -0.05     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   7    -0.01  -0.01   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    43   7     0.00   0.01   0.06     0.00   0.00   0.00     0.00   0.00  -0.00
    44   6    -0.01  -0.01  -0.01    -0.03   0.01   0.05    -0.01   0.00   0.02
    45   6    -0.01  -0.01   0.00     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    46   6    -0.01  -0.01  -0.00    -0.01   0.00   0.01    -0.00  -0.00   0.00
    47   6    -0.01  -0.01   0.01     0.02  -0.01  -0.05     0.01  -0.00  -0.02
    48   6    -0.00   0.00  -0.05    -0.01  -0.02  -0.04     0.01   0.02   0.05
    49   6    -0.00   0.00  -0.03     0.00   0.00   0.01    -0.01   0.00  -0.01
    50   6    -0.01   0.01  -0.03    -0.00  -0.01  -0.01    -0.00   0.01   0.01
    51   6    -0.01   0.01  -0.04     0.01   0.01   0.04    -0.01  -0.01  -0.04
    52   6    -0.01  -0.00   0.05     0.00  -0.01  -0.01     0.00  -0.03  -0.04
    53   6    -0.01   0.01   0.04     0.00   0.00   0.01     0.01   0.01   0.01
    54   6    -0.00   0.00   0.03     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    55   6     0.00   0.02   0.06     0.00   0.01   0.02     0.01   0.04   0.04
    56   6    -0.00  -0.02  -0.03    -0.06   0.03   0.13    -0.02   0.01   0.05
    57   6    -0.01  -0.02  -0.03    -0.05   0.03   0.11    -0.02   0.01   0.04
    58   6    -0.03  -0.01   0.00     0.03  -0.01  -0.05     0.01  -0.00  -0.02
    59   6    -0.03  -0.01   0.02     0.07  -0.03  -0.13     0.02  -0.01  -0.05
    60   6    -0.02  -0.03  -0.02    -0.06   0.03   0.14    -0.02   0.01   0.05
    61   6    -0.03  -0.02  -0.02    -0.02   0.01   0.06    -0.01   0.00   0.02
    62   6    -0.05  -0.00   0.00     0.06  -0.02  -0.11     0.02  -0.01  -0.04
    63   6    -0.04   0.00   0.01     0.06  -0.03  -0.13     0.02  -0.01  -0.05
    64   6    -0.03   0.01  -0.00    -0.03  -0.04  -0.11     0.03   0.04   0.11
    65   6    -0.03   0.03   0.01    -0.03  -0.03  -0.09     0.03   0.03   0.10
    66   6    -0.03   0.04   0.00     0.01   0.02   0.05    -0.01  -0.02  -0.05
    67   6    -0.02   0.04  -0.03     0.03   0.04   0.11    -0.03  -0.04  -0.12
    68   6     0.00  -0.00  -0.05    -0.04  -0.04  -0.11     0.04   0.04   0.12
    69   6     0.01   0.01  -0.01    -0.02  -0.01  -0.05     0.02   0.01   0.05
    70   6     0.02   0.02   0.03     0.02   0.04   0.09    -0.02  -0.04  -0.10
    71   6     0.01   0.01   0.02     0.03   0.04   0.10    -0.03  -0.04  -0.11
    72   6    -0.01  -0.04  -0.01     0.00  -0.04  -0.04    -0.00  -0.09  -0.10
    73   6    -0.01  -0.05  -0.02     0.00  -0.03  -0.03    -0.01  -0.08  -0.09
    74   6    -0.01  -0.02   0.02     0.00   0.01   0.02    -0.00   0.04   0.05
    75   6    -0.00   0.02   0.06     0.01   0.04   0.05     0.00   0.10   0.11
    76   6    -0.04  -0.04   0.05    -0.00  -0.04  -0.04    -0.00  -0.10  -0.11
    77   6    -0.07  -0.04   0.03    -0.01  -0.02  -0.01    -0.00  -0.04  -0.05
    78   6    -0.07  -0.02   0.02    -0.00   0.03   0.03     0.00   0.08   0.09
    79   6    -0.05   0.01   0.02    -0.00   0.04   0.04     0.01   0.10   0.10
    80   8     0.06  -0.03  -0.02    -0.01   0.00  -0.00    -0.00   0.01   0.00
    81  15     0.06  -0.06  -0.03    -0.00   0.00   0.00    -0.00  -0.00   0.00
    82   8     0.06  -0.16  -0.00    -0.01   0.01   0.00    -0.00  -0.01   0.01
    83   8     0.02  -0.05  -0.07    -0.00   0.00   0.01    -0.00  -0.00   0.00
    84   6    -0.03  -0.08  -0.06     0.00   0.00   0.01     0.00  -0.00   0.00
    85   6    -0.06   0.05   0.04     0.01  -0.01  -0.00    -0.00   0.00   0.01
    86   6     0.00  -0.04  -0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
    87   6     0.00  -0.11   0.05    -0.00   0.01  -0.00     0.00   0.00  -0.00
    88   1     0.05  -0.03   0.04     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    89   1     0.01   0.03  -0.16     0.01  -0.01   0.00    -0.00   0.00   0.00
    90   1    -0.01   0.01  -0.09     0.01  -0.00   0.01    -0.01   0.00   0.00
    91   1     0.09   0.03  -0.14    -0.00  -0.00   0.00    -0.00   0.00   0.01
    92   1    -0.06  -0.02   0.20    -0.01  -0.00  -0.01     0.00   0.00  -0.01
    93   1    -0.05  -0.04   0.16    -0.01  -0.01  -0.01     0.00   0.00  -0.00
    94   1     0.06   0.03   0.04     0.01   0.00   0.00     0.00  -0.00   0.00
    95   1     0.03   0.00  -0.07     0.00   0.00  -0.00     0.00  -0.00  -0.00
    96   1     0.03   0.05   0.07    -0.00   0.01   0.01     0.00  -0.00  -0.00
    97   1     0.01   0.05  -0.04    -0.00   0.02  -0.02    -0.00   0.01  -0.01
    98   1     0.01   0.04  -0.04    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    99   1     0.00  -0.02   0.03    -0.01  -0.01   0.01    -0.00  -0.00   0.00
   100   1     0.00  -0.00   0.01    -0.01  -0.02   0.02    -0.00  -0.00   0.01
   101   1    -0.04  -0.02   0.12     0.01   0.01  -0.02    -0.01  -0.01   0.02
   102   1    -0.03  -0.01   0.06     0.01   0.00  -0.01    -0.01  -0.00   0.01
   103   1     0.01  -0.02   0.03     0.01  -0.01   0.01    -0.00   0.01  -0.01
   104   1    -0.00  -0.03   0.09     0.00  -0.01   0.02     0.00   0.01  -0.02
   105   1    -0.02   0.00  -0.10    -0.01   0.01  -0.02    -0.00   0.00  -0.02
   106   1     0.02   0.01  -0.04    -0.00   0.00  -0.01     0.00   0.01  -0.02
   107   1    -0.03   0.01  -0.08     0.00   0.00  -0.00     0.01  -0.00   0.01
   108   1    -0.06   0.01  -0.14     0.00   0.00  -0.01     0.02  -0.01   0.03
   109   1     0.01  -0.03  -0.05    -0.11   0.06   0.23    -0.04   0.02   0.08
   110   1    -0.00  -0.03  -0.05    -0.09   0.05   0.21    -0.03   0.02   0.08
   111   1    -0.03  -0.01   0.01     0.06  -0.02  -0.10     0.02  -0.01  -0.04
   112   1    -0.04   0.01   0.04     0.11  -0.06  -0.23     0.04  -0.02  -0.08
   113   1    -0.01  -0.04  -0.04    -0.10   0.06   0.23    -0.04   0.02   0.08
   114   1    -0.04  -0.03  -0.03    -0.04   0.02   0.11    -0.02   0.01   0.04
   115   1    -0.06   0.00   0.01     0.11  -0.04  -0.20     0.04  -0.02  -0.07
   116   1    -0.04   0.02   0.02     0.11  -0.06  -0.23     0.04  -0.02  -0.08
   117   1    -0.03  -0.00   0.01    -0.06  -0.08  -0.19     0.06   0.08   0.21
   118   1    -0.04   0.04   0.04    -0.06  -0.06  -0.17     0.06   0.06   0.18
   119   1    -0.03   0.06   0.02     0.02   0.04   0.09    -0.02  -0.04  -0.10
   120   1    -0.01   0.05  -0.04     0.05   0.07   0.19    -0.06  -0.08  -0.20
   121   1    -0.00  -0.01  -0.07    -0.06  -0.07  -0.19     0.06   0.08   0.20
   122   1     0.02   0.01  -0.00    -0.03  -0.02  -0.09     0.03   0.03   0.09
   123   1     0.03   0.02   0.07     0.04   0.07   0.18    -0.05  -0.07  -0.19
   124   1     0.01   0.02   0.04     0.06   0.07   0.19    -0.06  -0.08  -0.21
   125   1    -0.01  -0.07  -0.04    -0.00  -0.07  -0.07    -0.00  -0.17  -0.18
   126   1    -0.01  -0.09  -0.06    -0.00  -0.06  -0.07    -0.01  -0.16  -0.16
   127   1    -0.00  -0.02   0.02     0.01   0.03   0.03    -0.00   0.08   0.09
   128   1    -0.00   0.05   0.09     0.01   0.07   0.07     0.00   0.17   0.18
   129   1    -0.03  -0.06   0.06    -0.00  -0.07  -0.06    -0.01  -0.17  -0.18
   130   1    -0.09  -0.07   0.02    -0.01  -0.03  -0.03    -0.01  -0.08  -0.09
   131   1    -0.10  -0.02   0.01    -0.01   0.06   0.06     0.01   0.15   0.17
   132   1    -0.05   0.03   0.00     0.00   0.07   0.07     0.01   0.18   0.18
   133   1    -0.07  -0.09  -0.12     0.01   0.00   0.01     0.00  -0.00  -0.00
   134   1    -0.04  -0.10  -0.09     0.00   0.01   0.01     0.00   0.00   0.00
   135   1    -0.17   0.12  -0.01     0.02  -0.01  -0.00    -0.00   0.01   0.00
   136   1    -0.01   0.07   0.12    -0.00  -0.01  -0.00    -0.00   0.01   0.02
   137   1    -0.04   0.09   0.09     0.00  -0.01  -0.01     0.00   0.00   0.01
   138   1    -0.01  -0.00  -0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
   139   1    -0.01  -0.00  -0.02     0.00  -0.00   0.00     0.00  -0.01   0.00
   140   1     0.01  -0.17   0.06    -0.00   0.01  -0.00    -0.00   0.01  -0.00
   141   1    -0.03  -0.08   0.13     0.00   0.00  -0.01     0.01  -0.00  -0.00
   142   1     0.02  -0.16   0.04    -0.00   0.01  -0.00    -0.00  -0.00  -0.00
   143  17    -0.04   0.12  -0.04     0.00   0.00   0.00     0.01  -0.01  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --    152.8516               156.9043               163.5576
 Red. masses --      3.7529                 5.7456                 8.8389
 Frc consts  --      0.0517                 0.0833                 0.1393
 IR Inten    --      2.2162                 8.3364                16.9331
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.03  -0.04  -0.02    -0.04  -0.03  -0.00
     2   6    -0.00  -0.00   0.01     0.00  -0.04  -0.04    -0.02  -0.03   0.03
     3   6    -0.01  -0.00   0.01     0.03  -0.01  -0.05     0.00  -0.00   0.06
     4   6    -0.01  -0.00   0.01     0.02   0.00  -0.02    -0.00   0.02   0.07
     5   6    -0.00  -0.00   0.01    -0.01   0.01  -0.03    -0.03   0.02   0.08
     6   6    -0.00  -0.00   0.01    -0.03  -0.02  -0.04    -0.05  -0.01   0.04
     7   6    -0.01  -0.00   0.01     0.02  -0.00  -0.06     0.00   0.00   0.06
     8   6    -0.01  -0.00   0.00     0.01  -0.02  -0.06     0.01   0.01   0.05
     9   6    -0.01  -0.00   0.00     0.01  -0.03  -0.11     0.01   0.02  -0.02
    10   6    -0.01  -0.01  -0.00     0.02   0.01   0.00     0.01   0.02   0.03
    11   6    -0.00  -0.00   0.00     0.00   0.03  -0.04     0.01  -0.00   0.06
    12   6    -0.00  -0.00  -0.00    -0.04   0.03   0.01     0.02   0.01   0.02
    13   6    -0.00  -0.00  -0.00    -0.07  -0.00   0.04     0.03   0.01   0.01
    14   6    -0.00  -0.00   0.00    -0.05  -0.03  -0.00     0.02   0.01   0.03
    15   7    -0.01  -0.00  -0.01    -0.01  -0.01  -0.06     0.01   0.07   0.02
    16   6    -0.01  -0.01  -0.01     0.02   0.01   0.04     0.01   0.02  -0.02
    17   6    -0.01  -0.01  -0.02     0.03   0.01   0.05     0.01  -0.02  -0.09
    18   7    -0.01  -0.01  -0.02     0.05   0.03   0.07     0.00  -0.01  -0.05
    19   6    -0.01  -0.00  -0.01     0.02   0.01   0.10    -0.01  -0.00   0.03
    20   6    -0.00   0.00  -0.00     0.02  -0.02   0.08    -0.00  -0.05   0.03
    21   6    -0.00   0.01   0.00     0.02  -0.05   0.00     0.02  -0.08  -0.02
    22   6    -0.01  -0.00  -0.01     0.04  -0.03   0.02     0.03  -0.08  -0.12
    23   6     0.00  -0.00  -0.01    -0.05  -0.06   0.03    -0.05  -0.04  -0.05
    24   6     0.00   0.00  -0.00    -0.04   0.05   0.00     0.02   0.02  -0.02
    25   6     0.00   0.01   0.01     0.01  -0.07  -0.05     0.06  -0.10   0.07
    26   6     0.00  -0.01   0.01    -0.02   0.06   0.00     0.01   0.03  -0.04
    27   6     0.00  -0.01   0.01     0.00   0.03  -0.00     0.01   0.02  -0.03
    28   6     0.00   0.00  -0.00    -0.01   0.01   0.00     0.01   0.01  -0.01
    29   6     0.00   0.01  -0.01    -0.04   0.02  -0.01     0.02   0.02  -0.02
    30   6     0.00   0.01  -0.02    -0.05   0.05  -0.01     0.02   0.02  -0.03
    31   6     0.01   0.00  -0.02    -0.04  -0.07   0.04    -0.02  -0.04  -0.05
    32   6     0.01   0.00  -0.02    -0.01  -0.04   0.03     0.00  -0.02  -0.04
    33   6     0.00  -0.00  -0.00    -0.01  -0.01   0.01    -0.01  -0.00  -0.02
    34   6    -0.00  -0.00  -0.00    -0.04  -0.02   0.03    -0.04   0.00  -0.03
    35   6    -0.00  -0.00  -0.00    -0.06  -0.05   0.04    -0.05  -0.02  -0.05
    36   6    -0.00   0.01   0.00     0.02  -0.05  -0.07     0.09  -0.08   0.09
    37   6    -0.00   0.01  -0.00     0.01  -0.02  -0.06     0.07  -0.04   0.06
    38   6     0.00   0.00   0.00    -0.00  -0.01  -0.02     0.02  -0.02   0.02
    39   6     0.01   0.00   0.02    -0.03  -0.04  -0.03     0.02  -0.06   0.10
    40   6     0.01   0.01   0.03    -0.02  -0.06  -0.05     0.05  -0.10   0.12
    41   7     0.00  -0.00   0.01     0.01   0.02  -0.02     0.01   0.01   0.03
    42   7     0.00   0.00   0.00     0.01  -0.02  -0.00    -0.01  -0.01   0.02
    43   7     0.00  -0.00  -0.01     0.00   0.03   0.04    -0.02   0.02  -0.03
    44   6     0.02  -0.01  -0.04     0.02  -0.02  -0.01    -0.01  -0.01   0.02
    45   6     0.00   0.00   0.01     0.01  -0.01  -0.01    -0.01  -0.00   0.01
    46   6     0.01   0.00  -0.00     0.02  -0.01  -0.01    -0.01  -0.00   0.01
    47   6    -0.01   0.01   0.05     0.02  -0.01   0.00    -0.01  -0.01   0.01
    48   6    -0.01  -0.01  -0.03     0.02   0.01  -0.01     0.01   0.01   0.03
    49   6     0.01  -0.00   0.01     0.01   0.01  -0.00     0.01   0.01   0.03
    50   6     0.00  -0.01  -0.00     0.00   0.01  -0.00     0.01   0.01   0.03
    51   6     0.01   0.01   0.04     0.01   0.02  -0.01     0.02   0.01   0.04
    52   6     0.00  -0.03  -0.05     0.00   0.03   0.03    -0.01   0.02  -0.03
    53   6     0.01   0.01  -0.00     0.00   0.03   0.03    -0.00   0.02  -0.01
    54   6     0.00  -0.01  -0.01     0.00   0.03   0.03    -0.02   0.02  -0.01
    55   6     0.01   0.03   0.03     0.00   0.03   0.04    -0.02   0.02  -0.03
    56   6     0.05  -0.02  -0.10     0.03   0.01  -0.01    -0.01  -0.02   0.01
    57   6     0.05  -0.02  -0.09     0.04   0.02   0.01    -0.01  -0.02  -0.00
    58   6    -0.02   0.01   0.05     0.04   0.01   0.03    -0.01  -0.02  -0.01
    59   6    -0.05   0.02   0.12     0.03  -0.01   0.03    -0.01  -0.01  -0.00
    60   6     0.05  -0.02  -0.11     0.02  -0.02  -0.01    -0.03  -0.02   0.02
    61   6     0.02  -0.01  -0.05     0.01  -0.01   0.01    -0.04  -0.02  -0.01
    62   6    -0.04   0.02   0.09     0.00  -0.01   0.03    -0.03  -0.01  -0.03
    63   6    -0.04   0.02   0.11     0.00  -0.01   0.02    -0.01   0.00  -0.03
    64   6    -0.02  -0.03  -0.08    -0.01   0.01   0.01     0.01  -0.00  -0.01
    65   6    -0.02  -0.03  -0.07    -0.02   0.03  -0.00     0.01  -0.01  -0.04
    66   6     0.01   0.01   0.04    -0.02   0.03  -0.02     0.01  -0.01  -0.01
    67   6     0.03   0.03   0.09    -0.00   0.03  -0.02     0.02   0.01   0.03
    68   6    -0.02  -0.03  -0.08     0.03   0.01  -0.01     0.02   0.00   0.02
    69   6    -0.01  -0.01  -0.04     0.03  -0.01  -0.01     0.02  -0.02  -0.01
    70   6     0.02   0.02   0.07     0.02  -0.01  -0.01     0.01  -0.02  -0.02
    71   6     0.02   0.03   0.08     0.01  -0.00  -0.00     0.01  -0.01   0.01
    72   6    -0.00  -0.08  -0.09     0.00  -0.01  -0.01    -0.02  -0.00   0.01
    73   6    -0.00  -0.07  -0.07    -0.00  -0.03  -0.03    -0.05  -0.01   0.00
    74   6     0.00   0.04   0.04     0.00  -0.00  -0.00    -0.06  -0.00  -0.01
    75   6     0.01   0.09   0.09     0.00   0.03   0.03    -0.05   0.02  -0.02
    76   6    -0.00  -0.09  -0.11     0.00   0.02   0.02     0.01   0.03  -0.06
    77   6     0.00  -0.03  -0.04    -0.00  -0.01  -0.01     0.04   0.03  -0.05
    78   6     0.01   0.08   0.08    -0.00  -0.02  -0.02     0.04   0.03  -0.02
    79   6     0.01   0.09   0.09    -0.00   0.00   0.00     0.02   0.02   0.00
    80   8    -0.01   0.01   0.01    -0.09  -0.10  -0.13     0.10  -0.09  -0.04
    81  15    -0.01   0.01   0.00    -0.05   0.03  -0.01     0.07  -0.01  -0.07
    82   8    -0.01   0.01  -0.00    -0.10   0.16   0.00     0.09   0.05  -0.11
    83   8    -0.02   0.00   0.00     0.11   0.05   0.05     0.09   0.01  -0.11
    84   6    -0.00   0.00   0.00     0.04   0.10   0.05    -0.01  -0.02  -0.08
    85   6    -0.00  -0.00  -0.00     0.10  -0.11  -0.10    -0.04  -0.02  -0.04
    86   6    -0.00   0.00   0.00     0.01   0.05   0.02     0.01   0.03  -0.03
    87   6     0.00   0.01  -0.01    -0.02   0.06   0.00    -0.01  -0.08   0.07
    88   1    -0.01   0.00   0.00     0.01  -0.06  -0.04    -0.01  -0.04   0.01
    89   1    -0.00  -0.01   0.02    -0.02   0.04  -0.03    -0.04   0.05   0.10
    90   1     0.00  -0.00   0.01    -0.06  -0.01  -0.04    -0.07  -0.00   0.03
    91   1    -0.00  -0.00   0.00     0.02   0.04  -0.06     0.00  -0.00   0.07
    92   1    -0.00  -0.00  -0.00    -0.12  -0.01   0.09     0.04   0.01  -0.03
    93   1    -0.00  -0.00   0.00    -0.07  -0.05   0.00     0.02   0.01  -0.00
    94   1    -0.00  -0.00  -0.01     0.02   0.03   0.14    -0.03   0.02   0.07
    95   1    -0.00   0.01   0.00     0.02  -0.02   0.10    -0.01  -0.05   0.08
    96   1    -0.01  -0.00  -0.01     0.05  -0.04   0.00     0.06  -0.10  -0.17
    97   1     0.00  -0.02   0.02    -0.00   0.08   0.01     0.01   0.03  -0.04
    98   1     0.00  -0.01   0.01     0.01   0.03  -0.00     0.01   0.02  -0.03
    99   1     0.01   0.02  -0.01    -0.05   0.00  -0.02     0.02   0.02  -0.01
   100   1     0.01   0.02  -0.02    -0.06   0.06  -0.02     0.01   0.02  -0.03
   101   1     0.01   0.01  -0.03    -0.03  -0.09   0.05    -0.01  -0.06  -0.06
   102   1     0.01   0.00  -0.02     0.00  -0.05   0.04     0.02  -0.03  -0.03
   103   1    -0.00  -0.00   0.00    -0.04  -0.00   0.03    -0.05   0.02  -0.02
   104   1    -0.00  -0.01   0.00    -0.08  -0.05   0.04    -0.07  -0.02  -0.04
   105   1    -0.01   0.01  -0.01     0.04  -0.05  -0.08     0.13  -0.09   0.09
   106   1    -0.01   0.00  -0.01     0.03   0.00  -0.06     0.08  -0.02   0.05
   107   1     0.02   0.00   0.02    -0.05  -0.03  -0.01     0.00  -0.05   0.11
   108   1     0.02   0.01   0.04    -0.03  -0.08  -0.04     0.04  -0.13   0.15
   109   1     0.10  -0.04  -0.19     0.02   0.03  -0.03    -0.01  -0.02   0.01
   110   1     0.08  -0.03  -0.17     0.04   0.03   0.02    -0.01  -0.02  -0.01
   111   1    -0.04   0.02   0.09     0.04   0.02   0.05    -0.01  -0.02  -0.02
   112   1    -0.09   0.04   0.19     0.04  -0.02   0.04    -0.01  -0.00  -0.01
   113   1     0.09  -0.04  -0.18     0.02  -0.01  -0.03    -0.04  -0.03   0.04
   114   1     0.04  -0.02  -0.09     0.01  -0.01   0.01    -0.05  -0.02  -0.01
   115   1    -0.08   0.03   0.17    -0.01  -0.00   0.05    -0.03  -0.01  -0.06
   116   1    -0.08   0.04   0.19    -0.00  -0.01   0.03    -0.01   0.02  -0.05
   117   1    -0.04  -0.06  -0.15    -0.01   0.01   0.02     0.01  -0.00  -0.04
   118   1    -0.04  -0.05  -0.14    -0.03   0.03   0.00    -0.00  -0.02  -0.07
   119   1     0.02   0.02   0.07    -0.03   0.04  -0.03     0.01  -0.01  -0.02
   120   1     0.04   0.05   0.15    -0.00   0.04  -0.03     0.02   0.01   0.05
   121   1    -0.04  -0.05  -0.14     0.04   0.01  -0.02     0.03   0.01   0.02
   122   1    -0.02  -0.02  -0.07     0.04  -0.01  -0.02     0.02  -0.03  -0.03
   123   1     0.03   0.05   0.13     0.02  -0.02  -0.01     0.00  -0.04  -0.04
   124   1     0.04   0.05   0.15     0.00  -0.01   0.01    -0.00  -0.02   0.00
   125   1    -0.00  -0.15  -0.16    -0.00  -0.02  -0.03    -0.01  -0.01   0.02
   126   1    -0.01  -0.13  -0.14    -0.00  -0.06  -0.07    -0.05  -0.03   0.01
   127   1     0.00   0.07   0.08     0.00  -0.01  -0.02    -0.08  -0.01  -0.01
   128   1     0.01   0.15   0.15     0.01   0.04   0.05    -0.07   0.03  -0.03
   129   1    -0.00  -0.16  -0.17     0.00   0.02   0.03     0.01   0.04  -0.08
   130   1     0.00  -0.06  -0.08    -0.01  -0.03  -0.02     0.05   0.03  -0.07
   131   1     0.01   0.15   0.16    -0.01  -0.04  -0.05     0.06   0.03  -0.01
   132   1     0.02   0.16   0.17    -0.00  -0.01  -0.01     0.03   0.02   0.03
   133   1    -0.00   0.00   0.00     0.13   0.11   0.11    -0.06  -0.00  -0.02
   134   1    -0.00   0.00   0.00     0.05   0.17   0.11    -0.02  -0.09  -0.14
   135   1     0.00  -0.00  -0.00     0.31  -0.16  -0.06    -0.16  -0.12   0.01
   136   1    -0.00  -0.00  -0.01    -0.03  -0.12  -0.17     0.03  -0.05  -0.16
   137   1    -0.00  -0.00  -0.01     0.07  -0.23  -0.23    -0.03   0.11   0.05
   138   1     0.00   0.01  -0.00    -0.01  -0.02   0.04    -0.01   0.06  -0.01
   139   1     0.00  -0.01   0.01    -0.01   0.09  -0.01    -0.01   0.12  -0.04
   140   1    -0.01   0.03  -0.01     0.02  -0.01   0.05     0.03  -0.21   0.10
   141   1     0.02   0.01  -0.01    -0.13   0.04  -0.04    -0.12  -0.04   0.17
   142   1    -0.01   0.00   0.00     0.02   0.16  -0.03     0.03  -0.10   0.03
   143  17    -0.00  -0.02   0.00     0.01  -0.03   0.10    -0.19   0.21   0.15
                     43                     44                     45
                      A                      A                      A
 Frequencies --    167.2688               176.1130               179.3172
 Red. masses --      7.1887                 7.2826                 6.0830
 Frc consts  --      0.1185                 0.1331                 0.1152
 IR Inten    --     20.7854                 1.9970                13.9375
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.05   0.05     0.02   0.06  -0.03    -0.05   0.04  -0.02
     2   6     0.03   0.05   0.04     0.01   0.06  -0.04    -0.04   0.04  -0.07
     3   6    -0.02  -0.03  -0.01     0.00   0.05  -0.05    -0.04   0.04  -0.06
     4   6    -0.01  -0.07  -0.06     0.00   0.05  -0.03    -0.04   0.04  -0.03
     5   6     0.07  -0.09  -0.07     0.01   0.04  -0.13    -0.04   0.05   0.00
     6   6     0.13  -0.02  -0.01     0.02   0.05  -0.13    -0.05   0.05   0.01
     7   6    -0.04  -0.04   0.00     0.01   0.04  -0.06    -0.03   0.05  -0.04
     8   6    -0.03  -0.05  -0.00    -0.01   0.06   0.06    -0.03   0.06   0.01
     9   6    -0.02  -0.07  -0.08    -0.02   0.07   0.07    -0.04   0.05   0.07
    10   6    -0.04  -0.08  -0.03    -0.01   0.05   0.03    -0.03   0.03  -0.01
    11   6    -0.03  -0.06  -0.00     0.06  -0.01  -0.15    -0.02   0.03  -0.06
    12   6     0.00  -0.07  -0.03     0.07  -0.03  -0.03    -0.01   0.03  -0.04
    13   6     0.01  -0.06  -0.04     0.05  -0.01   0.12     0.02   0.05  -0.06
    14   6    -0.01  -0.05  -0.02     0.02   0.04   0.14     0.00   0.07  -0.04
    15   7    -0.04  -0.04  -0.02    -0.03   0.04   0.01    -0.03   0.01   0.08
    16   6    -0.03  -0.03   0.01    -0.03   0.02  -0.02    -0.05   0.00   0.01
    17   6    -0.03  -0.01   0.04    -0.03  -0.00  -0.06    -0.04   0.00   0.01
    18   7    -0.03  -0.04   0.02    -0.02   0.00  -0.05    -0.04   0.01  -0.02
    19   6    -0.02  -0.02  -0.03    -0.04   0.02  -0.00    -0.06  -0.02  -0.04
    20   6    -0.03   0.01  -0.03    -0.04   0.00   0.00    -0.06  -0.03  -0.06
    21   6    -0.03   0.03   0.01    -0.02  -0.01  -0.02    -0.04  -0.01  -0.01
    22   6    -0.03   0.03   0.06    -0.03  -0.02  -0.08    -0.04  -0.00   0.01
    23   6     0.14   0.10   0.04     0.02   0.05   0.06    -0.05   0.02   0.01
    24   6     0.01  -0.08  -0.02     0.08  -0.10  -0.01    -0.01  -0.01   0.02
    25   6    -0.04   0.05  -0.01    -0.00  -0.01   0.03    -0.03  -0.01   0.03
    26   6    -0.00  -0.09  -0.01     0.04  -0.10  -0.00    -0.01  -0.03   0.05
    27   6    -0.02  -0.06  -0.01     0.02  -0.06  -0.00    -0.01  -0.03   0.05
    28   6     0.00  -0.02  -0.01     0.03  -0.03   0.01    -0.01  -0.01   0.02
    29   6     0.02  -0.03  -0.00     0.08  -0.07   0.06    -0.01  -0.03   0.04
    30   6     0.03  -0.06  -0.01     0.10  -0.11   0.05    -0.01  -0.03   0.05
    31   6     0.08   0.11   0.02    -0.01   0.05   0.09    -0.04   0.02   0.01
    32   6     0.03   0.07   0.01    -0.02   0.03   0.08    -0.03   0.02   0.02
    33   6     0.03   0.02   0.01    -0.00   0.01   0.04    -0.02   0.01   0.01
    34   6     0.12   0.02  -0.01     0.01  -0.00   0.08    -0.05   0.00   0.04
    35   6     0.16   0.08   0.00     0.02   0.02   0.09    -0.06   0.00   0.04
    36   6    -0.05   0.04  -0.02     0.01  -0.01   0.04    -0.01  -0.01   0.04
    37   6    -0.04   0.02  -0.01     0.01  -0.01   0.04    -0.01  -0.01   0.04
    38   6    -0.01   0.01  -0.00     0.00  -0.00   0.02    -0.01  -0.00   0.02
    39   6    -0.01   0.02  -0.02     0.01  -0.01   0.06    -0.01  -0.01   0.04
    40   6    -0.02   0.05  -0.03     0.01  -0.02   0.06    -0.01  -0.02   0.05
    41   7    -0.03  -0.03  -0.02    -0.01  -0.01  -0.04    -0.01   0.01  -0.01
    42   7    -0.01   0.02   0.01    -0.01   0.03   0.00     0.00   0.01  -0.02
    43   7     0.01  -0.01   0.01    -0.01  -0.00  -0.02    -0.01  -0.01  -0.01
    44   6    -0.00   0.02   0.01    -0.02   0.03   0.01     0.01   0.01  -0.03
    45   6    -0.00   0.01   0.02    -0.01   0.03   0.01     0.01   0.00  -0.02
    46   6    -0.01   0.02   0.01    -0.02   0.02   0.01     0.00   0.00  -0.02
    47   6    -0.01   0.02   0.02    -0.02   0.03  -0.00     0.00   0.01  -0.03
    48   6    -0.04  -0.03  -0.02    -0.01  -0.01  -0.05     0.01   0.00  -0.02
    49   6    -0.03  -0.02  -0.03    -0.01  -0.01  -0.04    -0.00  -0.00  -0.01
    50   6    -0.03  -0.03  -0.03    -0.01  -0.01  -0.04     0.00   0.01  -0.01
    51   6    -0.04  -0.04  -0.03    -0.01  -0.01  -0.05     0.00   0.00  -0.01
    52   6     0.01  -0.02   0.00    -0.00  -0.00  -0.02    -0.00  -0.01  -0.02
    53   6     0.01  -0.01   0.00    -0.00  -0.00  -0.01    -0.00  -0.01  -0.01
    54   6     0.01  -0.01  -0.00    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    55   6     0.01  -0.01   0.01    -0.01  -0.00  -0.02    -0.00  -0.00  -0.01
    56   6     0.01   0.02  -0.01    -0.04  -0.03   0.01    -0.01   0.00   0.00
    57   6     0.02   0.02  -0.02    -0.07  -0.05  -0.04    -0.02   0.01   0.01
    58   6     0.01   0.02  -0.00    -0.08  -0.02  -0.06    -0.01   0.01  -0.01
    59   6    -0.00   0.02   0.02    -0.07   0.02  -0.04    -0.00   0.01  -0.03
    60   6     0.03   0.04   0.00    -0.02   0.03   0.01     0.02   0.02  -0.02
    61   6     0.06   0.03   0.00    -0.02   0.03  -0.02     0.02   0.02   0.00
    62   6     0.05   0.01   0.01    -0.01   0.02  -0.04     0.01   0.01   0.02
    63   6     0.02  -0.00   0.02    -0.01   0.03  -0.02     0.01   0.00   0.01
    64   6    -0.03  -0.01   0.03     0.01   0.01  -0.00     0.04   0.01  -0.02
    65   6    -0.03   0.00   0.06     0.03   0.01   0.03     0.07  -0.01  -0.02
    66   6    -0.04  -0.01   0.02     0.02  -0.00   0.00     0.06  -0.03   0.00
    67   6    -0.04  -0.03  -0.03    -0.00  -0.02  -0.04     0.03  -0.03   0.01
    68   6    -0.09   0.01   0.01     0.01  -0.02  -0.05     0.05  -0.02  -0.03
    69   6    -0.09   0.07   0.03     0.03  -0.02   0.00     0.06  -0.06  -0.01
    70   6    -0.06   0.08   0.02     0.03  -0.02   0.04     0.04  -0.07   0.03
    71   6    -0.03   0.04  -0.03     0.00  -0.02   0.02     0.01  -0.05   0.03
    72   6     0.01   0.01  -0.02    -0.00   0.01  -0.01    -0.00   0.02  -0.02
    73   6     0.04   0.02  -0.02    -0.00   0.01  -0.00     0.02   0.03  -0.02
    74   6     0.05   0.02  -0.00    -0.00   0.01  -0.01     0.03   0.02  -0.02
    75   6     0.04  -0.00   0.01    -0.00   0.00  -0.02     0.02   0.00  -0.01
    76   6     0.01  -0.02  -0.00     0.01   0.01  -0.04     0.02   0.01  -0.04
    77   6     0.01  -0.01   0.01     0.03   0.01  -0.02     0.05   0.01  -0.02
    78   6     0.01   0.00   0.02     0.04   0.02   0.00     0.06   0.01   0.00
    79   6     0.01  -0.01   0.01     0.02   0.00   0.01     0.03  -0.00   0.01
    80   8    -0.02  -0.13  -0.01    -0.02  -0.06  -0.01    -0.02  -0.19  -0.09
    81  15    -0.02  -0.04   0.02    -0.03   0.01  -0.03     0.02  -0.06   0.03
    82   8    -0.03   0.10  -0.02    -0.03   0.02  -0.04    -0.05  -0.09   0.12
    83   8     0.08  -0.02   0.05    -0.03   0.04  -0.06     0.19  -0.02   0.07
    84   6     0.01   0.04   0.02    -0.03   0.01  -0.04     0.05  -0.01   0.08
    85   6     0.04  -0.07  -0.05    -0.03   0.01  -0.05     0.08  -0.02   0.05
    86   6     0.02  -0.04   0.01    -0.02   0.06  -0.01     0.05  -0.05   0.01
    87   6    -0.00  -0.02  -0.02    -0.01   0.01   0.04    -0.01  -0.06  -0.00
    88   1     0.01   0.10   0.06     0.01   0.06  -0.02    -0.04   0.03  -0.09
    89   1     0.09  -0.16  -0.10     0.01   0.03  -0.17    -0.04   0.06   0.03
    90   1     0.18  -0.03  -0.00     0.02   0.05  -0.18    -0.05   0.05   0.04
    91   1    -0.04  -0.07   0.01     0.08  -0.03  -0.26    -0.02   0.02  -0.07
    92   1     0.02  -0.06  -0.06     0.07  -0.03   0.21     0.04   0.05  -0.07
    93   1     0.00  -0.03  -0.02     0.02   0.06   0.19     0.01   0.08  -0.03
    94   1    -0.01  -0.04  -0.07    -0.04   0.03   0.03    -0.07  -0.03  -0.07
    95   1    -0.03   0.00  -0.07    -0.04   0.01   0.04    -0.08  -0.06  -0.09
    96   1    -0.06   0.04   0.09    -0.02  -0.04  -0.11    -0.04   0.01   0.03
    97   1    -0.01  -0.11  -0.01     0.03  -0.13  -0.02    -0.01  -0.03   0.05
    98   1    -0.04  -0.06  -0.01    -0.01  -0.05  -0.01    -0.01  -0.03   0.05
    99   1     0.03  -0.01   0.00     0.10  -0.06   0.09    -0.01  -0.03   0.04
   100   1     0.06  -0.06  -0.01     0.13  -0.13   0.07    -0.01  -0.03   0.04
   101   1     0.07   0.17   0.03    -0.01   0.06   0.08    -0.03   0.01   0.00
   102   1    -0.01   0.07   0.01    -0.05   0.03   0.07    -0.04   0.03   0.01
   103   1     0.14  -0.02  -0.03     0.02  -0.01   0.07    -0.06   0.01   0.05
   104   1     0.21   0.08  -0.01     0.04   0.02   0.09    -0.06  -0.00   0.05
   105   1    -0.07   0.05  -0.03     0.01  -0.01   0.04    -0.01  -0.01   0.03
   106   1    -0.05   0.01  -0.01     0.01  -0.01   0.04    -0.02  -0.01   0.04
   107   1    -0.00   0.02  -0.03     0.01  -0.01   0.06    -0.01  -0.01   0.05
   108   1    -0.01   0.06  -0.03     0.01  -0.02   0.07    -0.01  -0.01   0.05
   109   1     0.01   0.03  -0.02    -0.02  -0.07   0.03    -0.01   0.00   0.01
   110   1     0.03   0.02  -0.04    -0.08  -0.08  -0.05    -0.03   0.01   0.03
   111   1     0.02   0.02  -0.01    -0.10  -0.03  -0.08    -0.02   0.01  -0.00
   112   1    -0.00   0.02   0.03    -0.09   0.06  -0.05     0.00   0.01  -0.03
   113   1     0.03   0.06  -0.00    -0.03   0.02   0.02     0.02   0.02  -0.03
   114   1     0.07   0.03  -0.00    -0.02   0.02  -0.03     0.03   0.02   0.01
   115   1     0.07   0.00   0.01     0.00   0.02  -0.07     0.01   0.01   0.05
   116   1     0.02  -0.03   0.03    -0.01   0.04  -0.03     0.00  -0.01   0.03
   117   1    -0.03  -0.01   0.06     0.02   0.02   0.01     0.05   0.04  -0.04
   118   1    -0.01   0.02   0.12     0.05   0.02   0.07     0.08  -0.01  -0.02
   119   1    -0.03  -0.00   0.03     0.03  -0.00   0.02     0.07  -0.04   0.01
   120   1    -0.04  -0.03  -0.06    -0.01  -0.03  -0.05     0.02  -0.05   0.02
   121   1    -0.13  -0.02   0.03     0.02  -0.02  -0.07     0.08  -0.01  -0.06
   122   1    -0.11   0.09   0.06     0.04  -0.02   0.01     0.09  -0.08  -0.01
   123   1    -0.06   0.12   0.04     0.04  -0.01   0.10     0.05  -0.09   0.05
   124   1     0.01   0.07  -0.05    -0.00  -0.02   0.05    -0.03  -0.06   0.06
   125   1    -0.00   0.01  -0.04    -0.01   0.02  -0.01    -0.01   0.03  -0.03
   126   1     0.04   0.03  -0.03    -0.00   0.02   0.00     0.02   0.04  -0.02
   127   1     0.06   0.03   0.00    -0.00   0.01  -0.01     0.04   0.03  -0.02
   128   1     0.05  -0.01   0.02    -0.00  -0.00  -0.01     0.03  -0.01  -0.00
   129   1     0.01  -0.02  -0.01     0.01   0.02  -0.05     0.02   0.03  -0.06
   130   1     0.02  -0.01   0.01     0.04   0.02  -0.03     0.07   0.02  -0.03
   131   1     0.02   0.01   0.03     0.05   0.02   0.01     0.07   0.02   0.02
   132   1     0.01  -0.00   0.02     0.02   0.00   0.03     0.04  -0.02   0.04
   133   1     0.04   0.06   0.07    -0.03   0.01  -0.03     0.11  -0.03   0.01
   134   1     0.02   0.05   0.03    -0.03   0.01  -0.04     0.06   0.08   0.14
   135   1     0.11  -0.13  -0.01    -0.03   0.00  -0.04     0.23   0.13  -0.03
   136   1     0.00  -0.08  -0.13    -0.03   0.01  -0.05    -0.04   0.02   0.21
   137   1     0.03  -0.08  -0.09    -0.03   0.01  -0.05     0.06  -0.21  -0.07
   138   1     0.01  -0.09   0.02    -0.01   0.10  -0.01     0.01  -0.15   0.04
   139   1     0.01  -0.02  -0.01    -0.01   0.07   0.00     0.02   0.02  -0.03
   140   1     0.03  -0.07   0.02    -0.02   0.00   0.02     0.08  -0.22   0.11
   141   1    -0.07  -0.04  -0.06     0.02   0.03   0.10    -0.24  -0.08  -0.05
   142   1     0.03   0.05  -0.04    -0.02  -0.06   0.05     0.09   0.12  -0.08
   143  17    -0.09   0.16   0.08     0.04  -0.14   0.17     0.05   0.10  -0.09
                     46                     47                     48
                      A                      A                      A
 Frequencies --    188.3789               197.6084               210.6411
 Red. masses --      5.4295                 6.8545                 5.5204
 Frc consts  --      0.1135                 0.1577                 0.1443
 IR Inten    --      6.8084                11.7969                 0.4413
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03   0.01     0.02  -0.01  -0.09    -0.01   0.01   0.03
     2   6    -0.03   0.03   0.01     0.03  -0.01  -0.15    -0.02   0.00   0.04
     3   6    -0.04   0.02  -0.00     0.04   0.00  -0.08    -0.03  -0.01   0.01
     4   6    -0.03   0.01  -0.01     0.03   0.00   0.01    -0.03  -0.02  -0.00
     5   6    -0.03   0.01  -0.00     0.03   0.00  -0.01    -0.02  -0.03  -0.03
     6   6    -0.03   0.02   0.00     0.03  -0.00  -0.05    -0.01  -0.01  -0.02
     7   6    -0.04   0.02  -0.01     0.03   0.02  -0.07    -0.04  -0.02  -0.02
     8   6    -0.04   0.02  -0.02     0.02  -0.00  -0.06    -0.03  -0.01   0.00
     9   6    -0.04   0.01  -0.00     0.01  -0.04  -0.04    -0.01  -0.00   0.01
    10   6    -0.02   0.01  -0.00     0.01  -0.02   0.03    -0.01  -0.00   0.01
    11   6    -0.04   0.01  -0.01     0.01   0.06  -0.05    -0.04  -0.01  -0.06
    12   6    -0.01   0.00  -0.04    -0.03   0.07  -0.07    -0.06  -0.02  -0.07
    13   6     0.01   0.02  -0.09     0.00   0.06  -0.19    -0.06  -0.01  -0.04
    14   6    -0.01   0.03  -0.06     0.01   0.02  -0.16    -0.06  -0.02  -0.01
    15   7    -0.05  -0.02  -0.03    -0.00  -0.03  -0.00     0.03   0.04   0.02
    16   6    -0.03   0.01   0.06    -0.00  -0.04  -0.03     0.03   0.05   0.02
    17   6    -0.01   0.01   0.08    -0.02  -0.05  -0.06     0.02   0.05   0.01
    18   7    -0.01   0.02   0.05    -0.00  -0.04  -0.02    -0.00   0.02   0.03
    19   6    -0.03   0.01   0.13     0.02  -0.01  -0.02     0.01   0.03   0.01
    20   6    -0.02  -0.01   0.15     0.01   0.03  -0.01     0.01   0.00  -0.03
    21   6    -0.01  -0.05   0.08    -0.01   0.03  -0.03     0.02  -0.01  -0.04
    22   6    -0.00  -0.03   0.08    -0.04  -0.02  -0.08     0.03   0.02  -0.02
    23   6    -0.02   0.03   0.00    -0.01  -0.05   0.00     0.01   0.03   0.02
    24   6    -0.01  -0.03  -0.00    -0.06   0.07   0.04    -0.07  -0.05  -0.04
    25   6    -0.03  -0.08  -0.01    -0.01   0.07   0.01     0.05  -0.05  -0.02
    26   6    -0.02  -0.05   0.02    -0.05   0.03   0.08    -0.08  -0.08  -0.01
    27   6    -0.02  -0.05   0.03    -0.03   0.00   0.10    -0.09  -0.08   0.00
    28   6    -0.01  -0.02   0.01    -0.04   0.00   0.06    -0.08  -0.05  -0.01
    29   6    -0.01  -0.03   0.02    -0.07  -0.00   0.08    -0.08  -0.06  -0.00
    30   6    -0.01  -0.03   0.02    -0.07   0.03   0.07    -0.07  -0.06  -0.02
    31   6    -0.01   0.04  -0.01    -0.02  -0.08   0.07     0.02   0.04  -0.01
    32   6    -0.02   0.03  -0.01    -0.02  -0.07   0.09     0.01   0.04  -0.02
    33   6    -0.01   0.02  -0.00    -0.01  -0.03   0.05     0.01   0.02  -0.00
    34   6    -0.02   0.02  -0.00    -0.04  -0.06   0.09     0.02   0.03  -0.02
    35   6    -0.02   0.03   0.00    -0.04  -0.06   0.06     0.03   0.04  -0.01
    36   6    -0.04  -0.06  -0.06    -0.02   0.06   0.02     0.08  -0.05   0.01
    37   6    -0.04  -0.04  -0.08    -0.01   0.04   0.03     0.08  -0.03   0.02
    38   6    -0.04  -0.04  -0.04     0.00   0.03   0.02     0.05  -0.02  -0.00
    39   6    -0.06  -0.06  -0.05     0.02   0.05   0.03     0.05  -0.04   0.02
    40   6    -0.05  -0.08  -0.03     0.00   0.06   0.02     0.05  -0.05   0.01
    41   7    -0.01   0.01   0.00     0.02   0.00  -0.03    -0.01  -0.00   0.01
    42   7    -0.01   0.00  -0.02     0.01  -0.01  -0.03    -0.07  -0.02  -0.03
    43   7    -0.01   0.01   0.04     0.00  -0.01  -0.01     0.02   0.02  -0.02
    44   6     0.00   0.01  -0.02     0.02  -0.01  -0.06    -0.05  -0.00  -0.04
    45   6    -0.00   0.00  -0.01     0.02  -0.02  -0.06    -0.05  -0.03  -0.03
    46   6    -0.00   0.01  -0.01     0.02  -0.01  -0.06    -0.06  -0.00  -0.04
    47   6    -0.00   0.01  -0.01     0.02  -0.02  -0.06    -0.05  -0.02  -0.02
    48   6    -0.01   0.00  -0.00     0.02   0.00  -0.03    -0.01  -0.01  -0.00
    49   6    -0.01  -0.00  -0.00     0.02   0.00  -0.02    -0.01  -0.00  -0.00
    50   6    -0.01   0.00  -0.00     0.01  -0.00  -0.02    -0.01  -0.00  -0.01
    51   6    -0.01  -0.00   0.00     0.02   0.01  -0.04    -0.01  -0.01   0.00
    52   6    -0.00   0.03   0.04     0.00  -0.03  -0.02     0.01   0.03  -0.01
    53   6    -0.00   0.02   0.04     0.00  -0.02  -0.02     0.02   0.03  -0.01
    54   6    -0.01   0.03   0.04     0.00  -0.03  -0.02     0.02   0.02  -0.00
    55   6     0.00   0.03   0.05     0.00  -0.03  -0.02     0.01   0.03  -0.01
    56   6    -0.00   0.02  -0.01    -0.00   0.02   0.00    -0.02   0.11  -0.04
    57   6     0.00   0.02   0.00    -0.01   0.03   0.05     0.06   0.13   0.00
    58   6     0.01   0.02   0.00     0.02   0.01   0.01     0.08   0.08   0.03
    59   6     0.01   0.01  -0.01     0.04  -0.01  -0.05     0.04  -0.01   0.02
    60   6     0.02   0.03  -0.01     0.04  -0.00  -0.06     0.05   0.07  -0.02
    61   6     0.04   0.02   0.01     0.03   0.00   0.01     0.14   0.03   0.04
    62   6     0.04   0.01   0.03     0.00   0.00   0.07     0.13  -0.04   0.08
    63   6     0.02  -0.01   0.02     0.01  -0.01   0.02     0.04  -0.09   0.05
    64   6     0.03   0.01  -0.02    -0.03   0.00   0.02     0.01   0.00  -0.01
    65   6     0.05  -0.01  -0.01    -0.05   0.04   0.02     0.02  -0.01   0.00
    66   6     0.04  -0.03   0.00    -0.05   0.05  -0.02     0.02  -0.02   0.01
    67   6     0.01  -0.03   0.01    -0.01   0.04  -0.05    -0.00  -0.02   0.00
    68   6     0.02  -0.01  -0.01     0.01   0.00  -0.03    -0.01  -0.01  -0.00
    69   6     0.02  -0.04   0.00     0.02   0.02  -0.02    -0.01  -0.01   0.01
    70   6     0.01  -0.04   0.02     0.02   0.02   0.00    -0.01  -0.01   0.01
    71   6    -0.01  -0.03   0.02     0.02   0.02  -0.01    -0.01  -0.01   0.00
    72   6     0.00   0.03  -0.04     0.00  -0.00   0.01     0.01  -0.03   0.03
    73   6     0.04   0.01  -0.08     0.01   0.01   0.03    -0.05  -0.05   0.03
    74   6     0.06   0.03  -0.03     0.00  -0.00   0.01    -0.07  -0.03   0.02
    75   6     0.05   0.04   0.04     0.00  -0.03  -0.02    -0.05   0.02  -0.01
    76   6     0.03   0.05   0.02    -0.00  -0.03  -0.02    -0.01   0.01   0.01
    77   6     0.06   0.00  -0.02    -0.01  -0.01   0.01    -0.04   0.01  -0.01
    78   6     0.06  -0.03  -0.03    -0.01   0.02   0.03    -0.04   0.01  -0.03
    79   6     0.03  -0.02   0.02    -0.01   0.00   0.00    -0.02   0.03  -0.03
    80   8     0.12  -0.05   0.17     0.05   0.03   0.13     0.01   0.08  -0.06
    81  15     0.03  -0.01  -0.01     0.01  -0.03   0.05     0.04   0.03  -0.01
    82   8     0.11   0.12  -0.13     0.07  -0.01  -0.01     0.03  -0.11   0.04
    83   8    -0.05  -0.02  -0.04    -0.08  -0.06   0.03     0.02   0.05  -0.05
    84   6    -0.01   0.01  -0.07     0.02  -0.02  -0.00     0.02  -0.05   0.01
    85   6    -0.06   0.02  -0.02    -0.02   0.03   0.06     0.01   0.03   0.07
    86   6    -0.01  -0.01  -0.02    -0.01  -0.07   0.00    -0.00   0.07  -0.01
    87   6     0.01  -0.03   0.00     0.02  -0.03  -0.03    -0.01   0.02   0.03
    88   1    -0.04   0.03   0.01     0.03  -0.02  -0.19    -0.02   0.02   0.06
    89   1    -0.03   0.01  -0.01     0.03   0.01   0.03    -0.02  -0.04  -0.05
    90   1    -0.02   0.02   0.00     0.03  -0.00  -0.03     0.00  -0.02  -0.04
    91   1    -0.06  -0.00   0.01     0.00   0.07   0.00    -0.02   0.00  -0.07
    92   1     0.03   0.03  -0.13    -0.00   0.07  -0.25    -0.05  -0.01  -0.03
    93   1     0.01   0.05  -0.06     0.00   0.00  -0.17    -0.08  -0.03   0.03
    94   1    -0.03   0.02   0.15     0.04  -0.00  -0.01     0.01   0.04   0.02
    95   1    -0.02  -0.01   0.18     0.03   0.06   0.02    -0.00  -0.01  -0.04
    96   1     0.02  -0.04   0.06    -0.07  -0.03  -0.09     0.04   0.02  -0.03
    97   1    -0.02  -0.06   0.03    -0.05   0.05   0.08    -0.09  -0.10   0.00
    98   1    -0.03  -0.05   0.04    -0.02  -0.00   0.11    -0.09  -0.09   0.01
    99   1    -0.01  -0.03   0.02    -0.08  -0.01   0.06    -0.07  -0.07   0.00
   100   1    -0.00  -0.03   0.01    -0.09   0.05   0.05    -0.06  -0.05  -0.03
   101   1    -0.01   0.04  -0.01    -0.02  -0.10   0.07     0.02   0.05  -0.01
   102   1    -0.02   0.04  -0.01    -0.01  -0.08   0.10     0.01   0.04  -0.02
   103   1    -0.02   0.02   0.00    -0.04  -0.05   0.11     0.03   0.03  -0.03
   104   1    -0.01   0.02   0.01    -0.06  -0.05   0.06     0.03   0.03  -0.01
   105   1    -0.03  -0.06  -0.07    -0.03   0.06   0.01     0.10  -0.05   0.02
   106   1    -0.04  -0.03  -0.08    -0.02   0.03   0.03     0.09  -0.03   0.03
   107   1    -0.08  -0.05  -0.03     0.03   0.04   0.02     0.05  -0.04   0.03
   108   1    -0.05  -0.09  -0.02     0.00   0.07   0.01     0.05  -0.06   0.01
   109   1    -0.01   0.03  -0.01    -0.02   0.04   0.02    -0.07   0.18  -0.08
   110   1     0.00   0.03   0.01    -0.03   0.05   0.12     0.08   0.18   0.01
   111   1     0.01   0.02   0.00     0.02   0.02   0.03     0.14   0.09   0.06
   112   1     0.01  -0.00  -0.00     0.06  -0.03  -0.07     0.09  -0.08   0.05
   113   1     0.03   0.05  -0.02     0.05   0.01  -0.08     0.04   0.17  -0.04
   114   1     0.06   0.03   0.01     0.03   0.01   0.03     0.19   0.07   0.06
   115   1     0.04   0.00   0.04    -0.02   0.01   0.13     0.18  -0.06   0.12
   116   1     0.01  -0.03   0.03    -0.01  -0.03   0.05     0.03  -0.20   0.09
   117   1     0.04   0.03  -0.03    -0.04  -0.02   0.05     0.02   0.02  -0.01
   118   1     0.07  -0.01  -0.01    -0.07   0.04   0.05     0.04  -0.01   0.01
   119   1     0.06  -0.04   0.01    -0.06   0.07  -0.02     0.03  -0.03   0.01
   120   1     0.00  -0.05   0.02     0.00   0.07  -0.07    -0.01  -0.04   0.01
   121   1     0.04  -0.00  -0.02     0.01   0.00  -0.04    -0.01  -0.01  -0.01
   122   1     0.04  -0.04   0.00     0.02   0.02  -0.01    -0.01  -0.01   0.01
   123   1     0.02  -0.05   0.03     0.03   0.03   0.02    -0.01  -0.00   0.02
   124   1    -0.03  -0.04   0.03     0.03   0.02   0.01    -0.01  -0.01   0.01
   125   1    -0.03   0.03  -0.09     0.01   0.01   0.02     0.04  -0.06   0.06
   126   1     0.05  -0.01  -0.14     0.01   0.04   0.06    -0.06  -0.08   0.04
   127   1     0.09   0.03  -0.04     0.00   0.00   0.01    -0.10  -0.04   0.02
   128   1     0.08   0.03   0.08     0.00  -0.03  -0.03    -0.08   0.06  -0.02
   129   1     0.02   0.08   0.00    -0.00  -0.05  -0.02    -0.00  -0.00   0.03
   130   1     0.07   0.00  -0.04    -0.01  -0.00   0.02    -0.05  -0.00  -0.00
   131   1     0.08  -0.07  -0.06    -0.02   0.04   0.05    -0.06   0.01  -0.05
   132   1     0.04  -0.06   0.03    -0.01   0.02   0.01    -0.03   0.05  -0.06
   133   1    -0.07   0.03   0.01    -0.02  -0.02  -0.00     0.02  -0.06  -0.04
   134   1    -0.02  -0.09  -0.16     0.01  -0.05  -0.04     0.02  -0.03   0.01
   135   1    -0.29  -0.19   0.09    -0.14  -0.00   0.07     0.00   0.16  -0.01
   136   1     0.09  -0.04  -0.24     0.05   0.02   0.02    -0.01   0.07   0.20
   137   1    -0.03   0.28   0.16     0.00   0.13   0.15     0.02  -0.03   0.06
   138   1    -0.00   0.02  -0.03     0.01  -0.06  -0.01    -0.01   0.09  -0.00
   139   1    -0.00  -0.02  -0.01     0.00  -0.12   0.02    -0.01   0.10  -0.01
   140   1    -0.02  -0.00  -0.03    -0.03   0.08  -0.09     0.01  -0.04   0.06
   141   1     0.07  -0.02   0.04     0.15  -0.03  -0.03    -0.07   0.04   0.07
   142   1    -0.02  -0.10   0.02    -0.04  -0.11   0.02     0.02   0.03   0.01
   143  17     0.06  -0.01  -0.04    -0.01   0.04   0.16     0.02  -0.02   0.06
                     49                     50                     51
                      A                      A                      A
 Frequencies --    217.4735               220.5641               232.8128
 Red. masses --      5.2669                 5.2155                 6.1236
 Frc consts  --      0.1468                 0.1495                 0.1956
 IR Inten    --      6.1668                 0.6126                17.5773
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.02   0.07     0.01   0.05  -0.11    -0.02  -0.00   0.04
     2   6    -0.02   0.01   0.12    -0.01   0.03  -0.22     0.00  -0.02   0.01
     3   6     0.01   0.02   0.04    -0.03   0.00  -0.08     0.01  -0.03  -0.03
     4   6     0.01   0.01  -0.00    -0.02  -0.01  -0.03     0.01  -0.03  -0.04
     5   6    -0.03   0.02  -0.03     0.00  -0.01   0.02    -0.00  -0.03  -0.04
     6   6    -0.05   0.01  -0.01     0.03   0.03   0.02    -0.01  -0.03   0.00
     7   6     0.02   0.02  -0.04    -0.04  -0.01   0.07     0.04  -0.04  -0.05
     8   6     0.01   0.00  -0.03    -0.01   0.00   0.01     0.05  -0.05  -0.07
     9   6     0.02  -0.03  -0.05     0.00  -0.01  -0.01     0.04  -0.06  -0.10
    10   6     0.02  -0.01  -0.02    -0.00  -0.01  -0.00     0.01  -0.03  -0.03
    11   6     0.04   0.03  -0.10    -0.08  -0.07   0.22     0.04  -0.03  -0.02
    12   6     0.02   0.03  -0.05    -0.02  -0.06   0.11     0.00  -0.03   0.02
    13   6    -0.02   0.01   0.02     0.04  -0.03  -0.02    -0.01  -0.05   0.02
    14   6    -0.01  -0.00   0.01     0.03   0.01  -0.03     0.01  -0.06  -0.04
    15   7    -0.00  -0.05  -0.03     0.00  -0.01  -0.01     0.05  -0.01  -0.05
    16   6     0.01  -0.04  -0.02     0.01  -0.01   0.00     0.04  -0.01  -0.04
    17   6     0.02  -0.03  -0.01     0.01  -0.00   0.00     0.02  -0.00  -0.02
    18   7     0.02  -0.02  -0.01    -0.00  -0.00   0.00     0.02  -0.01  -0.01
    19   6     0.04  -0.02  -0.01     0.01   0.00   0.00     0.03  -0.02  -0.02
    20   6     0.05   0.01   0.01     0.01   0.00   0.00     0.03  -0.01   0.00
    21   6     0.05   0.01   0.01     0.02   0.00  -0.01    -0.00  -0.00   0.02
    22   6     0.03  -0.01   0.01     0.01  -0.00  -0.00     0.02   0.01   0.00
    23   6    -0.05   0.03   0.01     0.00   0.06  -0.01    -0.01   0.04   0.03
    24   6     0.01   0.01  -0.01     0.00  -0.03   0.02    -0.01   0.02   0.03
    25   6     0.05   0.04  -0.01     0.03  -0.00  -0.01    -0.03   0.00   0.02
    26   6     0.01  -0.01   0.02     0.02   0.01  -0.05    -0.01   0.04   0.00
    27   6     0.01  -0.02   0.04     0.02   0.04  -0.10    -0.01   0.06  -0.01
    28   6     0.01  -0.01   0.04     0.01   0.02  -0.09    -0.00   0.04   0.01
    29   6     0.01  -0.03   0.06     0.01   0.05  -0.12    -0.01   0.05  -0.00
    30   6     0.02  -0.01   0.03    -0.00   0.01  -0.07    -0.01   0.05   0.01
    31   6    -0.04   0.06  -0.04    -0.01   0.04   0.04    -0.01   0.07  -0.02
    32   6    -0.04   0.06  -0.06    -0.03   0.03   0.09    -0.01   0.08  -0.03
    33   6    -0.04   0.05  -0.05    -0.03   0.04   0.08    -0.03   0.07  -0.01
    34   6    -0.03   0.06  -0.06    -0.04   0.03   0.12     0.00   0.08  -0.02
    35   6    -0.04   0.05  -0.03    -0.03   0.05   0.06    -0.00   0.07   0.00
    36   6     0.05   0.04  -0.02     0.03   0.00  -0.01    -0.06  -0.01   0.00
    37   6     0.05   0.04  -0.04     0.03   0.00  -0.01    -0.07  -0.01   0.00
    38   6     0.05   0.03  -0.03     0.03   0.00  -0.01    -0.07  -0.01   0.01
    39   6     0.05   0.04  -0.05     0.03  -0.00  -0.01    -0.06   0.00   0.00
    40   6     0.05   0.04  -0.04     0.03  -0.00  -0.01    -0.05   0.01   0.02
    41   7    -0.05   0.04   0.01    -0.03   0.03  -0.01    -0.06   0.04   0.01
    42   7     0.01   0.01  -0.00    -0.01  -0.01   0.01     0.01  -0.00   0.01
    43   7     0.06   0.02  -0.02     0.03   0.01  -0.01    -0.07  -0.02   0.03
    44   6     0.01   0.01  -0.01    -0.02  -0.01   0.05     0.02  -0.01  -0.00
    45   6     0.02   0.01  -0.01    -0.03  -0.00   0.05     0.02  -0.01  -0.01
    46   6     0.02   0.01  -0.01    -0.03  -0.00   0.05     0.02  -0.01  -0.01
    47   6     0.01   0.01  -0.02    -0.02  -0.01   0.05     0.02  -0.01  -0.00
    48   6    -0.03   0.04   0.02    -0.03   0.02  -0.06    -0.05   0.04  -0.00
    49   6    -0.05   0.03   0.03    -0.05   0.01  -0.05    -0.08   0.03  -0.00
    50   6    -0.04   0.05   0.02    -0.04   0.02  -0.06    -0.06   0.05  -0.01
    51   6    -0.04   0.03   0.03    -0.04   0.01  -0.05    -0.07   0.03   0.00
    52   6     0.05   0.01  -0.01     0.02   0.01  -0.00    -0.06  -0.02   0.02
    53   6     0.05   0.02  -0.03     0.02   0.02  -0.01    -0.07  -0.04   0.04
    54   6     0.06   0.00  -0.01     0.03   0.01  -0.00    -0.08  -0.02   0.02
    55   6     0.04   0.01  -0.02     0.02   0.01  -0.01    -0.06  -0.03   0.03
    56   6    -0.00  -0.02   0.01     0.01   0.01  -0.01     0.01  -0.02   0.01
    57   6    -0.03  -0.02   0.01     0.04   0.01  -0.04     0.00  -0.02   0.02
    58   6    -0.03  -0.01  -0.02     0.03   0.01   0.02     0.01  -0.02   0.01
    59   6    -0.01   0.01  -0.03    -0.01  -0.00   0.07     0.02  -0.01  -0.01
    60   6     0.01   0.00  -0.02    -0.03  -0.01   0.06     0.00  -0.03  -0.01
    61   6    -0.01   0.01  -0.01    -0.01  -0.02   0.01    -0.03  -0.02  -0.01
    62   6    -0.02   0.02   0.00     0.02  -0.02  -0.04    -0.03   0.00   0.00
    63   6    -0.00   0.02  -0.00    -0.00  -0.02  -0.01    -0.01   0.01  -0.01
    64   6     0.05   0.05  -0.04     0.03   0.05  -0.02     0.05   0.07  -0.04
    65   6     0.10  -0.02  -0.05     0.08   0.03   0.03     0.11   0.00  -0.02
    66   6     0.09  -0.05   0.01     0.05  -0.02  -0.01     0.09  -0.05   0.00
    67   6     0.01  -0.05   0.05    -0.01  -0.03  -0.05    -0.01  -0.06   0.02
    68   6     0.03   0.01   0.01     0.02  -0.02  -0.07     0.01   0.00  -0.02
    69   6     0.04  -0.07   0.01     0.05  -0.06  -0.00     0.02  -0.07   0.01
    70   6    -0.01  -0.10   0.01     0.03  -0.06   0.07    -0.02  -0.09   0.04
    71   6    -0.06  -0.06   0.04    -0.03  -0.04   0.04    -0.08  -0.05   0.04
    72   6     0.04  -0.06   0.06     0.02  -0.03   0.03    -0.06   0.06  -0.06
    73   6    -0.02  -0.07   0.07    -0.02  -0.04   0.03     0.03   0.08  -0.07
    74   6    -0.06  -0.05   0.04    -0.04  -0.02   0.02     0.07   0.05  -0.04
    75   6    -0.03   0.00  -0.01    -0.02   0.01  -0.00     0.04  -0.02   0.02
    76   6    -0.01  -0.04   0.04    -0.00  -0.01   0.02    -0.00   0.02  -0.02
    77   6    -0.10  -0.01   0.03    -0.04  -0.00   0.01     0.08  -0.00  -0.01
    78   6    -0.11   0.02  -0.01    -0.05   0.01  -0.02     0.09  -0.04   0.04
    79   6    -0.04   0.05  -0.05    -0.02   0.03  -0.03     0.03  -0.07   0.07
    80   8    -0.02  -0.04   0.07     0.00  -0.00   0.03     0.00   0.19  -0.09
    81  15    -0.03  -0.04   0.03    -0.01  -0.01   0.01     0.05   0.03  -0.01
    82   8    -0.02   0.06  -0.01     0.00   0.01  -0.00     0.03  -0.09   0.04
    83   8    -0.04  -0.08   0.08    -0.02  -0.02   0.02     0.01  -0.00   0.00
    84   6    -0.01   0.03   0.01     0.00   0.00   0.00     0.03  -0.05   0.03
    85   6     0.00  -0.02  -0.03     0.00   0.00   0.00     0.02   0.03   0.07
    86   6    -0.00  -0.10   0.02    -0.00  -0.03   0.01     0.01   0.00   0.00
    87   6     0.02  -0.03  -0.04     0.01  -0.01  -0.01     0.00   0.01  -0.01
    88   1    -0.00  -0.01   0.17    -0.02   0.05  -0.31     0.01  -0.03   0.03
    89   1    -0.04   0.04  -0.08     0.01  -0.02   0.09    -0.01  -0.02  -0.07
    90   1    -0.05   0.00  -0.06     0.07   0.03   0.12    -0.00  -0.03   0.01
    91   1     0.06   0.04  -0.14    -0.14  -0.10   0.31     0.04  -0.02  -0.01
    92   1    -0.05  -0.00   0.08     0.10  -0.02  -0.12    -0.04  -0.06   0.05
    93   1    -0.02  -0.01   0.04     0.07   0.04  -0.10     0.01  -0.07  -0.04
    94   1     0.05  -0.02  -0.01     0.02   0.00   0.01     0.01  -0.03  -0.04
    95   1     0.05   0.01   0.02     0.01   0.00   0.01     0.04   0.00   0.00
    96   1     0.01  -0.01   0.01     0.01  -0.00  -0.00     0.03   0.00   0.00
    97   1     0.01  -0.01   0.01     0.02   0.01  -0.03    -0.01   0.05  -0.00
    98   1     0.00  -0.02   0.04     0.03   0.04  -0.11    -0.01   0.07  -0.02
    99   1     0.02  -0.03   0.07     0.00   0.06  -0.15    -0.01   0.06  -0.01
   100   1     0.03  -0.02   0.03    -0.03   0.00  -0.06    -0.01   0.05   0.01
   101   1    -0.05   0.07  -0.04    -0.00   0.05   0.02    -0.01   0.09  -0.02
   102   1    -0.04   0.07  -0.07    -0.02   0.03   0.10     0.00   0.08  -0.04
   103   1    -0.02   0.06  -0.08    -0.05   0.02   0.14     0.01   0.07  -0.04
   104   1    -0.03   0.04  -0.01    -0.05   0.06   0.05    -0.01   0.07   0.01
   105   1     0.06   0.04  -0.02     0.04  -0.00  -0.00    -0.08  -0.00   0.00
   106   1     0.04   0.04  -0.04     0.03   0.00  -0.01    -0.06  -0.00  -0.01
   107   1     0.05   0.04  -0.05     0.03   0.00  -0.01    -0.06   0.00  -0.01
   108   1     0.05   0.05  -0.05     0.03   0.00  -0.02    -0.06  -0.00   0.03
   109   1     0.01  -0.04   0.03     0.01   0.02  -0.05     0.01  -0.02   0.02
   110   1    -0.04  -0.03   0.03     0.08   0.01  -0.09    -0.01  -0.01   0.04
   111   1    -0.04  -0.01  -0.02     0.04   0.01   0.02     0.00  -0.02   0.01
   112   1    -0.02   0.03  -0.04    -0.00  -0.01   0.09     0.02  -0.01  -0.02
   113   1     0.01  -0.01  -0.02    -0.04   0.00   0.07     0.01  -0.06  -0.02
   114   1    -0.02   0.01  -0.01    -0.00  -0.02  -0.00    -0.04  -0.03  -0.01
   115   1    -0.03   0.03   0.02     0.04  -0.04  -0.10    -0.06   0.01   0.02
   116   1    -0.01   0.04   0.00     0.01  -0.02  -0.03    -0.01   0.04  -0.01
   117   1     0.08   0.12  -0.10     0.06   0.10  -0.02     0.08   0.15  -0.08
   118   1     0.15  -0.02  -0.09     0.12   0.05   0.08     0.17   0.01  -0.03
   119   1     0.12  -0.10   0.01     0.07  -0.04   0.01     0.12  -0.10   0.02
   120   1    -0.02  -0.11   0.09    -0.04  -0.08  -0.05    -0.05  -0.13   0.04
   121   1     0.09   0.04  -0.00     0.06   0.00  -0.11     0.06   0.04  -0.04
   122   1     0.07  -0.09   0.00     0.08  -0.08  -0.00     0.06  -0.09   0.01
   123   1    -0.01  -0.15   0.00     0.05  -0.07   0.14    -0.01  -0.12   0.07
   124   1    -0.12  -0.09   0.05    -0.07  -0.06   0.09    -0.13  -0.09   0.08
   125   1     0.10  -0.09   0.10     0.05  -0.05   0.05    -0.12   0.11  -0.11
   126   1    -0.04  -0.10   0.11    -0.03  -0.06   0.04     0.04   0.12  -0.11
   127   1    -0.10  -0.06   0.05    -0.06  -0.03   0.02     0.13   0.06  -0.05
   128   1    -0.08   0.04  -0.04    -0.05   0.03  -0.02     0.10  -0.07   0.06
   129   1     0.00  -0.10   0.09     0.00  -0.03   0.04    -0.02   0.07  -0.07
   130   1    -0.14  -0.04   0.06    -0.06  -0.01   0.02     0.12   0.02  -0.04
   131   1    -0.16   0.04  -0.02    -0.07   0.01  -0.02     0.14  -0.05   0.05
   132   1    -0.06   0.11  -0.12    -0.03   0.05  -0.06     0.04  -0.13   0.13
   133   1    -0.01   0.04   0.03     0.00   0.00   0.01     0.01  -0.06  -0.02
   134   1    -0.01   0.03   0.01     0.00   0.00   0.00     0.03  -0.04   0.02
   135   1     0.02  -0.08   0.01    -0.01  -0.02   0.01     0.02   0.15  -0.00
   136   1     0.00  -0.04  -0.10     0.01  -0.00  -0.02    -0.00   0.06   0.22
   137   1    -0.01   0.01  -0.03     0.00   0.02   0.01     0.03  -0.05   0.06
   138   1     0.01  -0.12   0.01     0.00  -0.03   0.00     0.01  -0.01   0.00
   139   1     0.01  -0.15   0.02    -0.00  -0.04   0.01     0.01   0.00   0.00
   140   1    -0.03   0.08  -0.10    -0.02   0.04  -0.04     0.03  -0.03   0.03
   141   1     0.15  -0.05  -0.09     0.06  -0.01  -0.02    -0.07  -0.00  -0.04
   142   1    -0.04  -0.07   0.00    -0.02  -0.03   0.01     0.03   0.07  -0.03
   143  17    -0.03   0.02   0.03    -0.00  -0.01   0.01    -0.03  -0.01   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --    242.8872               247.2873               248.6257
 Red. masses --      5.4935                 3.3414                 3.2484
 Frc consts  --      0.1909                 0.1204                 0.1183
 IR Inten    --      2.9254                 0.7042                 7.3610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03     0.00   0.01  -0.01    -0.01  -0.00  -0.04
     2   6     0.06   0.04   0.04    -0.00   0.01  -0.03    -0.02   0.00  -0.01
     3   6     0.06   0.04   0.07    -0.01   0.01  -0.01    -0.02   0.00   0.03
     4   6     0.06   0.05   0.07    -0.01  -0.01  -0.02    -0.02  -0.00   0.06
     5   6     0.04   0.06   0.03     0.00  -0.01   0.01    -0.01  -0.01   0.03
     6   6     0.03   0.05  -0.05     0.01   0.00   0.03    -0.01  -0.01  -0.04
     7   6     0.02   0.04   0.04    -0.03   0.01   0.03    -0.02   0.00   0.01
     8   6     0.02   0.04   0.03    -0.04   0.01   0.05    -0.02  -0.01   0.02
     9   6     0.03   0.02   0.03    -0.02   0.01   0.03    -0.02  -0.02   0.02
    10   6     0.06   0.03   0.05    -0.02  -0.03  -0.03    -0.02   0.00   0.05
    11   6     0.01   0.03   0.03    -0.03   0.02   0.01    -0.01   0.01  -0.03
    12   6     0.00   0.02   0.01    -0.01   0.02  -0.02    -0.00   0.01  -0.03
    13   6     0.00   0.04   0.06     0.00   0.03  -0.04    -0.02   0.00   0.00
    14   6     0.01   0.04   0.05    -0.02   0.02   0.02    -0.03  -0.00   0.02
    15   7     0.02  -0.02  -0.01    -0.02  -0.00  -0.01     0.00  -0.02  -0.03
    16   6     0.03  -0.06  -0.04    -0.02  -0.05  -0.05    -0.01   0.01  -0.02
    17   6     0.03  -0.06  -0.03    -0.01  -0.05  -0.03    -0.02   0.02  -0.00
    18   7     0.05  -0.02   0.01    -0.02  -0.08  -0.10    -0.03   0.02   0.04
    19   6     0.04  -0.05  -0.01    -0.02  -0.07  -0.06    -0.00   0.03   0.01
    20   6     0.05  -0.03   0.03     0.01  -0.04   0.04    -0.00   0.04   0.02
    21   6     0.03  -0.03   0.03     0.04   0.00   0.13    -0.02   0.02  -0.02
    22   6     0.02  -0.06  -0.02     0.03  -0.01   0.09    -0.02   0.02  -0.03
    23   6    -0.02  -0.02  -0.03    -0.01  -0.01  -0.01     0.01   0.01  -0.02
    24   6     0.01  -0.04  -0.02     0.01   0.00  -0.02     0.01   0.01  -0.02
    25   6    -0.01   0.04   0.02     0.02   0.01   0.08     0.00  -0.02  -0.01
    26   6     0.01  -0.06  -0.01     0.01  -0.01   0.00     0.01  -0.01  -0.00
    27   6     0.01  -0.08  -0.03     0.01  -0.02   0.02     0.01  -0.02   0.02
    28   6    -0.01  -0.08  -0.06     0.01  -0.01   0.01     0.01  -0.01   0.02
    29   6     0.00  -0.10  -0.05     0.01  -0.02   0.02     0.01  -0.02   0.03
    30   6    -0.01  -0.08  -0.03     0.01  -0.01   0.00     0.01  -0.01   0.01
    31   6    -0.05  -0.04   0.00    -0.01  -0.02   0.00     0.02  -0.00   0.00
    32   6    -0.07  -0.05   0.02    -0.02  -0.02   0.01     0.02  -0.00   0.04
    33   6    -0.05  -0.04  -0.01    -0.01  -0.02  -0.00     0.02   0.01   0.05
    34   6    -0.05  -0.06   0.01    -0.02  -0.03   0.01     0.00   0.02   0.04
    35   6    -0.04  -0.05   0.00    -0.01  -0.02   0.00    -0.00   0.01   0.00
    36   6    -0.03   0.06  -0.02    -0.02   0.02  -0.01     0.01  -0.04   0.01
    37   6    -0.05   0.07  -0.02    -0.05   0.01  -0.10     0.02  -0.05   0.02
    38   6    -0.05   0.06   0.01    -0.01  -0.00  -0.09     0.02  -0.05  -0.01
    39   6    -0.06   0.07  -0.01    -0.01   0.01  -0.12     0.03  -0.05   0.01
    40   6    -0.05   0.06  -0.00     0.01   0.03  -0.03     0.03  -0.03   0.00
    41   7    -0.01   0.01  -0.02     0.00  -0.00  -0.01     0.01  -0.00   0.02
    42   7    -0.05  -0.02  -0.05     0.01   0.01   0.00     0.02   0.01   0.01
    43   7    -0.02   0.00   0.04     0.02  -0.01  -0.02     0.00  -0.01  -0.02
    44   6    -0.08   0.01   0.00     0.01   0.01   0.00     0.02   0.01   0.00
    45   6    -0.10  -0.02   0.03     0.01   0.01   0.00     0.02   0.02  -0.00
    46   6    -0.10   0.01   0.02     0.01   0.01   0.01     0.03   0.01   0.00
    47   6    -0.07  -0.01   0.01     0.01   0.01   0.00     0.02   0.01  -0.00
    48   6     0.00   0.03   0.01     0.01   0.01   0.00     0.00  -0.02  -0.02
    49   6     0.00   0.03   0.03     0.01   0.01   0.01     0.00  -0.02  -0.03
    50   6     0.01   0.03   0.02     0.01   0.00   0.01    -0.00  -0.02  -0.03
    51   6     0.01   0.02   0.01     0.01   0.00   0.00     0.00  -0.01  -0.02
    52   6    -0.02  -0.04  -0.00     0.03   0.02   0.03    -0.00   0.02   0.01
    53   6    -0.02  -0.06  -0.01     0.03   0.03   0.03     0.00   0.03   0.02
    54   6    -0.03  -0.05  -0.02     0.04   0.03   0.03     0.01   0.03   0.02
    55   6    -0.02  -0.05   0.01     0.03   0.02   0.02     0.00   0.02   0.00
    56   6    -0.05   0.08  -0.04     0.01  -0.01   0.01     0.01  -0.02   0.01
    57   6     0.02   0.08  -0.06    -0.01  -0.02  -0.00    -0.02  -0.03   0.01
    58   6     0.02   0.06   0.01    -0.02  -0.01  -0.01    -0.02  -0.01  -0.01
    59   6    -0.03   0.00   0.05    -0.01   0.01  -0.01    -0.00   0.01  -0.01
    60   6    -0.02   0.07   0.04     0.00   0.00  -0.00     0.01  -0.00  -0.01
    61   6     0.08   0.02   0.03    -0.01   0.01  -0.00    -0.01   0.01  -0.01
    62   6     0.10  -0.04  -0.00    -0.01   0.02  -0.01    -0.02   0.02  -0.00
    63   6     0.01  -0.08   0.02     0.00   0.02  -0.00     0.00   0.03  -0.00
    64   6     0.01   0.03  -0.01    -0.00   0.00   0.00    -0.01  -0.01   0.01
    65   6    -0.00   0.02  -0.04    -0.01   0.00  -0.01    -0.01   0.00   0.04
    66   6     0.01   0.02  -0.01    -0.01   0.01  -0.00    -0.01   0.00  -0.00
    67   6     0.01   0.03   0.02     0.00   0.01   0.00    -0.01  -0.01  -0.04
    68   6     0.04   0.02   0.02     0.01   0.01   0.01    -0.01  -0.02  -0.03
    69   6     0.04  -0.02  -0.01     0.01   0.00  -0.00    -0.01   0.01  -0.01
    70   6     0.01  -0.04  -0.03     0.01  -0.00  -0.01     0.01   0.02   0.03
    71   6    -0.00  -0.01   0.01     0.01   0.00  -0.00     0.01   0.01  -0.00
    72   6    -0.02   0.02  -0.02     0.03  -0.02   0.01    -0.00  -0.00   0.00
    73   6     0.03   0.06  -0.00     0.02  -0.05  -0.01    -0.02  -0.03  -0.02
    74   6     0.05   0.01  -0.01     0.02  -0.01   0.02    -0.02   0.00   0.00
    75   6     0.03  -0.05  -0.01     0.02   0.03   0.04    -0.02   0.03   0.01
    76   6    -0.01  -0.04  -0.02     0.00   0.01   0.06     0.00   0.03   0.01
    77   6     0.02  -0.02   0.01    -0.04  -0.01   0.03     0.00   0.01  -0.01
    78   6     0.02  -0.00   0.06    -0.04  -0.02  -0.03     0.00  -0.01  -0.03
    79   6     0.01  -0.04   0.03    -0.01   0.01  -0.02     0.00   0.01  -0.01
    80   8    -0.03   0.09  -0.06     0.01   0.04  -0.01    -0.04   0.19  -0.08
    81  15     0.00  -0.00  -0.02     0.01   0.02  -0.02     0.01  -0.01  -0.01
    82   8    -0.01   0.03  -0.01     0.01  -0.05   0.00     0.00  -0.00  -0.01
    83   8     0.02  -0.04   0.05     0.01   0.05  -0.05     0.02  -0.09   0.10
    84   6    -0.01   0.03  -0.02    -0.00  -0.04  -0.01     0.02   0.03  -0.03
    85   6    -0.01  -0.02  -0.04    -0.01   0.01   0.02    -0.00  -0.01  -0.02
    86   6     0.03  -0.06   0.02     0.05   0.08   0.00     0.07  -0.12   0.04
    87   6     0.01  -0.02  -0.03    -0.01   0.04   0.02     0.02  -0.05  -0.06
    88   1     0.07   0.03   0.06    -0.01   0.01  -0.04    -0.02   0.01  -0.01
    89   1     0.04   0.07   0.03     0.01  -0.02   0.03    -0.01  -0.02   0.03
    90   1     0.02   0.04  -0.11     0.02   0.00   0.07    -0.00  -0.01  -0.08
    91   1     0.02   0.04   0.03    -0.03   0.02   0.01     0.00   0.02  -0.05
    92   1     0.01   0.03   0.07     0.02   0.03  -0.07    -0.03   0.00   0.01
    93   1    -0.00   0.03   0.04    -0.02   0.02   0.02    -0.04  -0.01   0.04
    94   1     0.04  -0.05  -0.01    -0.05  -0.10  -0.12     0.00   0.04   0.03
    95   1     0.07  -0.00   0.07    -0.01  -0.06   0.03     0.01   0.06   0.05
    96   1     0.02  -0.06  -0.03     0.04  -0.00   0.12    -0.02   0.02  -0.03
    97   1     0.01  -0.08   0.01     0.01  -0.01  -0.00     0.01  -0.01  -0.00
    98   1     0.05  -0.09  -0.02     0.01  -0.03   0.03    -0.00  -0.03   0.03
    99   1    -0.00  -0.11  -0.04     0.01  -0.03   0.02     0.01  -0.02   0.04
   100   1    -0.04  -0.09  -0.03     0.02  -0.01   0.00     0.03  -0.01   0.01
   101   1    -0.06  -0.03   0.01    -0.02  -0.01   0.00     0.03  -0.02  -0.01
   102   1    -0.08  -0.06   0.03    -0.02  -0.02   0.01     0.04  -0.01   0.05
   103   1    -0.06  -0.08   0.02    -0.02  -0.03   0.02    -0.01   0.03   0.05
   104   1    -0.04  -0.05   0.01    -0.01  -0.02   0.00    -0.01   0.02  -0.01
   105   1    -0.03   0.06  -0.03    -0.04   0.02   0.01    -0.00  -0.04   0.02
   106   1    -0.04   0.09  -0.05    -0.08  -0.01  -0.13     0.01  -0.07   0.03
   107   1    -0.07   0.08  -0.03    -0.01   0.02  -0.16     0.05  -0.05   0.02
   108   1    -0.07   0.04  -0.00     0.04   0.05  -0.03     0.04  -0.02   0.01
   109   1    -0.07   0.12  -0.09     0.01  -0.03   0.02     0.02  -0.04   0.03
   110   1     0.06   0.10  -0.12    -0.02  -0.03  -0.00    -0.03  -0.04   0.01
   111   1     0.06   0.06   0.02    -0.03  -0.01  -0.02    -0.04  -0.02  -0.02
   112   1    -0.01  -0.04   0.09    -0.02   0.03  -0.01    -0.02   0.03  -0.02
   113   1    -0.03   0.15   0.04     0.00  -0.01   0.00     0.01  -0.02  -0.00
   114   1     0.13   0.05   0.03    -0.01   0.00  -0.01    -0.02   0.00  -0.01
   115   1     0.17  -0.08  -0.04    -0.01   0.02  -0.01    -0.03   0.03  -0.00
   116   1     0.01  -0.17   0.03     0.00   0.03  -0.00     0.00   0.05  -0.01
   117   1     0.00   0.03  -0.02    -0.01  -0.01   0.00    -0.01  -0.02   0.03
   118   1    -0.01   0.01  -0.07    -0.02   0.00  -0.02    -0.00   0.02   0.08
   119   1     0.01   0.02  -0.01    -0.01   0.01  -0.00    -0.02   0.01  -0.00
   120   1     0.01   0.04   0.04     0.01   0.02   0.01    -0.01  -0.00  -0.05
   121   1     0.07   0.04   0.02     0.01   0.01   0.01    -0.03  -0.03  -0.04
   122   1     0.05  -0.03  -0.01     0.01  -0.00  -0.00    -0.01   0.01  -0.00
   123   1     0.01  -0.07  -0.05     0.00  -0.01  -0.02     0.02   0.04   0.06
   124   1    -0.03  -0.03   0.01     0.00  -0.00  -0.00     0.03   0.02   0.00
   125   1    -0.05   0.06  -0.04     0.04  -0.04   0.00     0.01  -0.02   0.00
   126   1     0.05   0.12   0.02     0.02  -0.09  -0.04    -0.02  -0.06  -0.04
   127   1     0.09   0.02  -0.02     0.01  -0.01   0.02    -0.03  -0.00   0.00
   128   1     0.07  -0.09  -0.01     0.01   0.04   0.04    -0.03   0.05   0.02
   129   1    -0.01  -0.04  -0.05     0.01  -0.01   0.09     0.00   0.05   0.02
   130   1     0.03  -0.01   0.01    -0.06  -0.02   0.04     0.00   0.01  -0.01
   131   1     0.03   0.03   0.10    -0.07  -0.05  -0.07     0.00  -0.03  -0.06
   132   1     0.01  -0.04   0.06    -0.02   0.02  -0.07     0.00   0.00  -0.01
   133   1     0.01   0.03  -0.00    -0.02  -0.04  -0.02     0.04   0.02  -0.04
   134   1    -0.01   0.04  -0.02    -0.00  -0.05  -0.01     0.01   0.06  -0.03
   135   1    -0.07  -0.17   0.04     0.04   0.14  -0.06    -0.18  -0.25   0.11
   136   1     0.05  -0.06  -0.21    -0.05   0.05   0.16     0.13  -0.08  -0.29
   137   1    -0.01   0.10   0.01    -0.01  -0.09  -0.03     0.01   0.23   0.12
   138   1     0.04  -0.09   0.01     0.08   0.11  -0.03     0.11  -0.16   0.00
   139   1     0.03  -0.08   0.02     0.07   0.10   0.05     0.09  -0.15   0.07
   140   1     0.04  -0.06   0.02     0.15  -0.27   0.24     0.13  -0.22   0.12
   141   1    -0.08  -0.05  -0.10    -0.45   0.01  -0.04    -0.30  -0.11  -0.21
   142   1     0.05   0.09  -0.06     0.16   0.34  -0.13     0.14   0.27  -0.16
   143  17    -0.04   0.02  -0.02    -0.02  -0.00   0.05    -0.01   0.01  -0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --    252.7700               258.8307               261.1266
 Red. masses --      2.8238                 2.0727                 1.7313
 Frc consts  --      0.1063                 0.0818                 0.0696
 IR Inten    --      7.9767                11.1824                 0.6375
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02   0.01     0.00  -0.01  -0.03     0.00   0.01   0.03
     2   6     0.00   0.02   0.01    -0.00  -0.01  -0.01    -0.00   0.00  -0.02
     3   6    -0.00   0.02  -0.01    -0.01  -0.01   0.03    -0.00   0.00  -0.05
     4   6    -0.00   0.02  -0.02    -0.00  -0.01   0.04    -0.00  -0.00  -0.06
     5   6    -0.00   0.03  -0.01     0.00  -0.02   0.03    -0.00   0.00  -0.04
     6   6    -0.00   0.03   0.01     0.01  -0.02  -0.01     0.00   0.01   0.04
     7   6    -0.01   0.02  -0.01    -0.01  -0.01   0.04     0.00   0.00  -0.02
     8   6     0.00   0.02  -0.03    -0.01  -0.01   0.06     0.00   0.01  -0.01
     9   6     0.01   0.00  -0.05    -0.01   0.00   0.06    -0.00   0.02   0.01
    10   6    -0.00   0.02  -0.03    -0.00  -0.02   0.02    -0.01  -0.00  -0.04
    11   6    -0.02   0.02   0.01     0.01   0.00  -0.01    -0.01  -0.01   0.01
    12   6    -0.01   0.02   0.02     0.01   0.01  -0.03    -0.00  -0.01   0.02
    13   6    -0.01   0.02   0.01     0.00   0.00  -0.01     0.01   0.00   0.00
    14   6    -0.00   0.02  -0.01    -0.01  -0.00   0.04     0.01   0.01  -0.01
    15   7     0.00  -0.01  -0.05     0.01   0.01   0.02     0.00   0.02   0.03
    16   6    -0.01   0.03  -0.05     0.01  -0.02  -0.01    -0.01   0.02   0.02
    17   6    -0.01   0.04  -0.04     0.00  -0.03  -0.01    -0.00   0.01   0.00
    18   7    -0.01   0.03  -0.05    -0.01  -0.04  -0.02    -0.01  -0.01  -0.05
    19   6    -0.02   0.03  -0.04     0.00  -0.03  -0.02    -0.01   0.00  -0.01
    20   6    -0.01   0.04   0.01     0.01  -0.02   0.01    -0.02  -0.01  -0.03
    21   6     0.00   0.04   0.03     0.02  -0.00   0.04    -0.00   0.01   0.01
    22   6     0.01   0.05   0.00     0.01  -0.01   0.03     0.00   0.02   0.02
    23   6    -0.01  -0.00   0.01     0.00   0.00  -0.03    -0.00  -0.00   0.03
    24   6     0.00  -0.01   0.01     0.01   0.01  -0.03    -0.00  -0.00   0.02
    25   6     0.01  -0.00   0.02     0.01   0.01   0.03     0.00   0.00   0.01
    26   6     0.02  -0.01   0.01    -0.01  -0.00  -0.01     0.00   0.01   0.00
    27   6     0.03  -0.02  -0.02    -0.03  -0.01   0.03     0.00   0.02  -0.02
    28   6     0.02  -0.03  -0.04    -0.02   0.00   0.04     0.00   0.01  -0.02
    29   6     0.01  -0.04  -0.03     0.00   0.00   0.04    -0.00   0.01  -0.02
    30   6    -0.01  -0.03  -0.01     0.02   0.01   0.00    -0.01   0.00   0.00
    31   6    -0.01  -0.01   0.00     0.01  -0.01  -0.01    -0.02   0.01   0.01
    32   6    -0.02  -0.02  -0.01     0.01  -0.00   0.03    -0.02   0.00  -0.04
    33   6    -0.01  -0.03  -0.02     0.00   0.01   0.04    -0.01  -0.01  -0.04
    34   6    -0.00  -0.03  -0.02    -0.01   0.02   0.03     0.01  -0.02  -0.03
    35   6     0.00  -0.02  -0.00    -0.01   0.01  -0.00     0.01  -0.02   0.01
    36   6    -0.02  -0.04   0.02    -0.01   0.01   0.00    -0.00  -0.00   0.00
    37   6    -0.02  -0.07  -0.02    -0.02   0.00  -0.03    -0.00  -0.01  -0.00
    38   6    -0.00  -0.07  -0.05    -0.01  -0.00  -0.03     0.00  -0.01  -0.01
    39   6     0.03  -0.05  -0.04    -0.01   0.01  -0.04     0.00  -0.00  -0.01
    40   6     0.04  -0.01   0.00     0.00   0.01  -0.00     0.00   0.00  -0.00
    41   7     0.01  -0.02  -0.02     0.00   0.01   0.02    -0.01  -0.01  -0.03
    42   7     0.01  -0.00  -0.03    -0.01   0.00   0.02     0.00  -0.00  -0.01
    43   7    -0.01  -0.03  -0.03     0.00  -0.01  -0.01     0.00  -0.00  -0.01
    44   6    -0.01   0.01   0.02     0.01  -0.00  -0.02    -0.00  -0.00   0.01
    45   6    -0.02   0.01   0.03     0.01  -0.00  -0.03    -0.01  -0.00   0.01
    46   6    -0.02   0.01   0.03     0.01  -0.01  -0.03    -0.01  -0.00   0.01
    47   6    -0.01   0.01   0.02     0.01  -0.00  -0.02    -0.00  -0.00   0.01
    48   6     0.02  -0.01   0.01    -0.01   0.00  -0.02     0.01   0.00   0.02
    49   6     0.03  -0.00   0.02    -0.02  -0.00  -0.03     0.01   0.01   0.03
    50   6     0.03  -0.01   0.03    -0.01  -0.00  -0.03     0.01   0.01   0.03
    51   6     0.02  -0.00   0.01    -0.01   0.00  -0.02     0.01   0.00   0.02
    52   6    -0.01   0.03   0.03     0.00   0.00   0.01     0.00   0.00   0.00
    53   6    -0.01   0.04   0.05     0.00   0.01   0.01     0.00   0.01   0.00
    54   6    -0.01   0.05   0.05     0.00   0.01   0.01     0.00   0.01   0.00
    55   6    -0.01   0.03   0.03     0.00   0.00   0.01     0.00   0.00   0.00
    56   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    57   6     0.01  -0.00  -0.04    -0.01   0.00   0.02     0.01   0.00  -0.01
    58   6    -0.01   0.00  -0.00     0.00  -0.00  -0.01     0.01   0.00   0.01
    59   6    -0.02   0.01   0.03     0.01  -0.00  -0.03     0.00  -0.00   0.01
    60   6    -0.01   0.02   0.03     0.01  -0.00  -0.03    -0.01  -0.00   0.01
    61   6     0.00   0.01   0.01     0.00   0.00  -0.00    -0.00  -0.01   0.00
    62   6     0.02   0.00  -0.03    -0.01   0.00   0.03     0.00  -0.01  -0.01
    63   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.00
    64   6    -0.01  -0.02   0.01     0.00   0.01  -0.00    -0.00  -0.00   0.00
    65   6    -0.03  -0.01  -0.02     0.01   0.01   0.02    -0.01  -0.01  -0.03
    66   6    -0.02   0.01   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
    67   6     0.01   0.02   0.02    -0.01  -0.01  -0.03     0.01   0.01   0.03
    68   6     0.01   0.00   0.02    -0.00  -0.01  -0.03     0.01   0.01   0.03
    69   6     0.00   0.02  -0.00     0.00  -0.01  -0.00     0.00   0.01   0.01
    70   6     0.00   0.01  -0.03     0.01  -0.00   0.03    -0.01  -0.00  -0.03
    71   6     0.02   0.01  -0.01    -0.01  -0.01   0.01     0.00   0.00  -0.00
    72   6    -0.01   0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    73   6    -0.01  -0.03  -0.05     0.01  -0.01  -0.01    -0.00  -0.01  -0.00
    74   6    -0.01   0.01   0.00     0.01   0.00   0.00    -0.00  -0.00   0.00
    75   6    -0.01   0.05   0.05     0.01   0.01   0.01     0.00   0.01   0.00
    76   6    -0.00   0.05   0.04     0.00   0.00   0.02     0.00   0.00   0.01
    77   6     0.01   0.01  -0.00    -0.01  -0.00   0.01    -0.00   0.00   0.00
    78   6     0.01  -0.04  -0.04    -0.01  -0.01  -0.00    -0.00  -0.00  -0.01
    79   6     0.00  -0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    80   8     0.01   0.02  -0.01    -0.01   0.01  -0.10    -0.03  -0.02  -0.04
    81  15     0.02  -0.02   0.01     0.02   0.02  -0.02    -0.01  -0.01   0.01
    82   8     0.01   0.00   0.03    -0.01   0.01   0.02    -0.01  -0.06   0.03
    83   8     0.01  -0.06   0.06     0.05   0.02  -0.01     0.00   0.00   0.01
    84   6     0.00  -0.02   0.06     0.02   0.03   0.01     0.07   0.04  -0.02
    85   6     0.02   0.01   0.05     0.01  -0.01   0.01     0.01   0.01   0.03
    86   6    -0.04  -0.09  -0.00    -0.07   0.02  -0.02    -0.00  -0.00   0.01
    87   6     0.02  -0.05  -0.03    -0.00   0.01   0.01    -0.00   0.00   0.00
    88   1     0.00   0.02   0.02    -0.01  -0.00  -0.02     0.00   0.00  -0.02
    89   1    -0.00   0.03  -0.02     0.00  -0.02   0.05    -0.00   0.00  -0.04
    90   1    -0.01   0.03   0.01     0.01  -0.02  -0.02     0.00   0.01   0.08
    91   1    -0.02   0.02   0.02     0.02   0.01  -0.03    -0.01  -0.01   0.01
    92   1    -0.01   0.02   0.02     0.01   0.01  -0.02     0.02   0.00  -0.00
    93   1     0.00   0.03  -0.02    -0.02  -0.01   0.06     0.02   0.02  -0.02
    94   1    -0.04   0.02  -0.06    -0.00  -0.04  -0.04    -0.02  -0.00  -0.03
    95   1    -0.01   0.04   0.02     0.01  -0.02  -0.00    -0.03  -0.03  -0.06
    96   1     0.02   0.05   0.01     0.02  -0.01   0.04     0.00   0.02   0.03
    97   1     0.03  -0.01   0.02    -0.02  -0.01  -0.02     0.00   0.01   0.01
    98   1     0.06  -0.03  -0.02    -0.04  -0.01   0.04     0.01   0.02  -0.02
    99   1    -0.00  -0.05  -0.04     0.01   0.01   0.06    -0.01   0.02  -0.03
   100   1    -0.03  -0.03  -0.00     0.03   0.01  -0.00    -0.02   0.00   0.00
   101   1    -0.02  -0.00   0.01     0.02  -0.02  -0.02    -0.03   0.03   0.02
   102   1    -0.04  -0.01  -0.02     0.03  -0.01   0.05    -0.04   0.01  -0.05
   103   1    -0.00  -0.04  -0.02    -0.02   0.03   0.04     0.02  -0.04  -0.04
   104   1     0.02  -0.03   0.01    -0.03   0.02  -0.01     0.03  -0.02   0.02
   105   1    -0.05  -0.03   0.04    -0.01   0.01   0.01    -0.01  -0.00   0.01
   106   1    -0.04  -0.10  -0.02    -0.03   0.00  -0.04    -0.01  -0.01  -0.00
   107   1     0.06  -0.06  -0.06    -0.01   0.01  -0.05     0.01  -0.00  -0.01
   108   1     0.06   0.01   0.01     0.01   0.02  -0.00     0.01   0.01  -0.00
   109   1     0.00  -0.00  -0.01    -0.01   0.00   0.01    -0.00   0.01  -0.01
   110   1     0.02  -0.01  -0.08    -0.03   0.01   0.06     0.01   0.00  -0.01
   111   1    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
   112   1    -0.03   0.02   0.04     0.02  -0.01  -0.04     0.00  -0.01   0.02
   113   1    -0.02   0.03   0.05     0.02  -0.00  -0.04    -0.01  -0.00   0.01
   114   1     0.01   0.01   0.00     0.01   0.00  -0.00    -0.00  -0.01   0.00
   115   1     0.04  -0.01  -0.07    -0.02   0.01   0.06     0.00  -0.01  -0.02
   116   1     0.01  -0.01  -0.01    -0.00  -0.00   0.01     0.00  -0.01  -0.00
   117   1    -0.02  -0.04   0.01     0.01   0.02   0.00    -0.01  -0.01  -0.01
   118   1    -0.05  -0.02  -0.04     0.03   0.02   0.05    -0.02  -0.02  -0.07
   119   1    -0.03   0.02  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
   120   1     0.02   0.04   0.02    -0.02  -0.02  -0.03     0.02   0.02   0.04
   121   1     0.00   0.00   0.04    -0.00  -0.01  -0.04     0.01   0.01   0.05
   122   1    -0.01   0.02  -0.00     0.01  -0.01  -0.01    -0.00   0.01   0.01
   123   1    -0.00   0.01  -0.06     0.01   0.00   0.06    -0.02  -0.01  -0.07
   124   1     0.03   0.02  -0.03    -0.01  -0.01   0.02     0.00   0.00  -0.02
   125   1    -0.02  -0.00  -0.03     0.00  -0.00  -0.01     0.00  -0.00   0.00
   126   1    -0.02  -0.07  -0.11     0.01  -0.02  -0.02    -0.00  -0.01  -0.01
   127   1     0.00   0.01  -0.00     0.01   0.00   0.00    -0.00  -0.00   0.00
   128   1    -0.00   0.06   0.07     0.01   0.01   0.02    -0.00   0.01   0.01
   129   1    -0.00   0.09   0.04     0.00   0.00   0.02     0.00   0.01   0.01
   130   1     0.02   0.01  -0.01    -0.01  -0.01   0.01    -0.00   0.00   0.00
   131   1     0.02  -0.09  -0.10    -0.01  -0.02  -0.02    -0.00  -0.01  -0.01
   132   1     0.00  -0.04   0.00    -0.00  -0.00  -0.01    -0.00   0.00  -0.01
   133   1    -0.03  -0.02   0.07     0.06   0.03   0.00     0.15   0.02  -0.09
   134   1     0.01  -0.05   0.06     0.02   0.06   0.01     0.05   0.15  -0.01
   135   1     0.18   0.21  -0.07    -0.07  -0.14   0.08    -0.35  -0.38   0.23
   136   1    -0.08   0.06   0.27     0.07  -0.04  -0.14     0.24  -0.10  -0.39
   137   1     0.01  -0.20  -0.08     0.02   0.12   0.08     0.06   0.43   0.33
   138   1    -0.08  -0.13   0.03    -0.14  -0.02   0.04    -0.00  -0.00   0.01
   139   1    -0.06  -0.10  -0.05    -0.12   0.06  -0.10    -0.00   0.00   0.00
   140   1    -0.13   0.23  -0.22    -0.18   0.35  -0.25    -0.01   0.02  -0.01
   141   1     0.41  -0.03   0.02     0.50   0.07   0.14     0.02   0.00   0.00
   142   1    -0.14  -0.32   0.10    -0.20  -0.38   0.18    -0.01  -0.01   0.01
   143  17    -0.02  -0.00   0.04    -0.01   0.01  -0.02     0.01  -0.01   0.03
                     58                     59                     60
                      A                      A                      A
 Frequencies --    267.6557               272.9225               279.0991
 Red. masses --      5.0173                 5.3502                 4.9975
 Frc consts  --      0.2118                 0.2348                 0.2294
 IR Inten    --      1.9697                 1.1585                 4.3043
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.11  -0.04   0.03    -0.03   0.03   0.03
     2   6     0.02  -0.00   0.00    -0.06  -0.04   0.05    -0.05   0.02  -0.08
     3   6     0.03   0.01   0.01    -0.00   0.02  -0.00    -0.05   0.02  -0.08
     4   6     0.02   0.03   0.01    -0.01   0.06   0.01    -0.04   0.01  -0.09
     5   6     0.01   0.03  -0.00    -0.08   0.07   0.01    -0.04   0.01  -0.06
     6   6     0.00   0.02  -0.01    -0.14   0.01  -0.00    -0.03   0.03   0.05
     7   6     0.05  -0.01   0.02     0.03   0.02  -0.06    -0.05   0.01   0.01
     8   6     0.06   0.02   0.04     0.04   0.05  -0.07    -0.03   0.04   0.06
     9   6     0.03   0.05   0.06     0.02   0.04  -0.04    -0.03   0.05   0.06
    10   6     0.02   0.03   0.00     0.02   0.06  -0.01    -0.03   0.02  -0.02
    11   6     0.08  -0.05   0.01     0.03   0.02  -0.05    -0.03  -0.03   0.04
    12   6     0.08  -0.06   0.04     0.01   0.01   0.04     0.01  -0.04   0.01
    13   6     0.11  -0.04   0.06     0.02   0.02   0.05     0.05   0.00  -0.01
    14   6     0.10   0.01   0.05     0.05   0.04  -0.05     0.01   0.05   0.04
    15   7     0.01   0.02   0.03    -0.00   0.01  -0.01    -0.01   0.02  -0.00
    16   6    -0.00   0.01  -0.02    -0.01  -0.02  -0.04    -0.02   0.03   0.03
    17   6    -0.00   0.01  -0.04     0.00  -0.01  -0.05    -0.00   0.02   0.03
    18   7     0.00   0.01  -0.08     0.02   0.03  -0.05    -0.02   0.00  -0.03
    19   6    -0.01   0.01  -0.05    -0.03  -0.04  -0.03    -0.04  -0.00   0.05
    20   6    -0.01   0.03  -0.03     0.00  -0.04   0.05    -0.02  -0.06   0.04
    21   6     0.00   0.05   0.02     0.03  -0.03   0.07     0.00  -0.06   0.03
    22   6     0.00   0.03  -0.01     0.03  -0.04   0.00     0.02  -0.02   0.05
    23   6     0.00   0.00   0.00    -0.06  -0.02   0.01    -0.01   0.03   0.06
    24   6     0.04  -0.01   0.02    -0.01   0.00   0.06     0.02  -0.03  -0.00
    25   6     0.01   0.03   0.03     0.02  -0.00   0.05    -0.00  -0.06  -0.00
    26   6    -0.06   0.03  -0.02     0.01   0.02   0.03    -0.02  -0.01  -0.03
    27   6    -0.10   0.10  -0.01     0.03   0.03  -0.03    -0.05   0.04  -0.01
    28   6    -0.09   0.08   0.04     0.01   0.00  -0.06    -0.03   0.05   0.03
    29   6    -0.00   0.11   0.02    -0.01   0.00  -0.05     0.01   0.06   0.01
    30   6     0.05   0.05  -0.00    -0.03  -0.00   0.01     0.03   0.02  -0.01
    31   6     0.00   0.00  -0.00     0.06  -0.01  -0.02    -0.02   0.04   0.03
    32   6     0.00   0.01  -0.00     0.14   0.07  -0.00    -0.02   0.03  -0.04
    33   6     0.00   0.01   0.00     0.10   0.08   0.05     0.01  -0.01  -0.05
    34   6     0.00   0.01  -0.00     0.03   0.14  -0.02     0.01  -0.02  -0.04
    35   6     0.00   0.00   0.00    -0.05   0.06  -0.04     0.02  -0.00   0.02
    36   6    -0.03  -0.01   0.03     0.00   0.02  -0.01     0.03   0.00  -0.04
    37   6    -0.03  -0.06  -0.02    -0.03   0.06  -0.06     0.02   0.08  -0.02
    38   6    -0.00  -0.06  -0.05    -0.03   0.05  -0.03    -0.01   0.08   0.02
    39   6     0.04  -0.03  -0.04    -0.05   0.04  -0.05    -0.07   0.04   0.01
    40   6     0.04   0.02   0.01    -0.02   0.01   0.00    -0.06  -0.04  -0.01
    41   7    -0.00   0.00   0.00     0.06   0.01   0.11     0.01  -0.03  -0.05
    42   7    -0.09  -0.01   0.06     0.00  -0.02  -0.04    -0.03   0.01   0.05
    43   7    -0.01  -0.05  -0.04     0.01   0.02   0.02     0.02   0.07   0.06
    44   6    -0.04  -0.04  -0.04    -0.03  -0.01   0.01     0.01  -0.01  -0.01
    45   6    -0.03  -0.07  -0.09    -0.04  -0.01   0.03     0.02  -0.02  -0.04
    46   6    -0.04  -0.06  -0.10    -0.04  -0.00   0.02     0.02  -0.02  -0.04
    47   6    -0.05  -0.06  -0.05    -0.03  -0.01   0.01     0.00  -0.01  -0.01
    48   6    -0.00   0.00  -0.00     0.02  -0.08  -0.02     0.02  -0.03   0.01
    49   6    -0.00   0.00  -0.00     0.02  -0.09  -0.09     0.05  -0.02   0.03
    50   6    -0.00   0.00  -0.00     0.00  -0.09  -0.07     0.04  -0.02   0.05
    51   6    -0.00   0.00  -0.00     0.01  -0.05  -0.02     0.03  -0.02   0.02
    52   6    -0.02   0.02   0.02     0.02  -0.01   0.00     0.03  -0.02  -0.02
    53   6    -0.01   0.04   0.05     0.02  -0.02  -0.01     0.03  -0.04  -0.06
    54   6    -0.01   0.04   0.05     0.01  -0.02  -0.00     0.03  -0.05  -0.05
    55   6    -0.01   0.02   0.02     0.01  -0.01   0.01     0.02  -0.01  -0.01
    56   6    -0.04   0.06  -0.04    -0.01   0.02  -0.01     0.00  -0.00  -0.00
    57   6     0.00   0.09   0.07     0.02   0.02  -0.03    -0.00   0.01   0.04
    58   6     0.06   0.03   0.02     0.01   0.01   0.01     0.02  -0.00   0.00
    59   6     0.05  -0.07  -0.05    -0.01  -0.01   0.04     0.03  -0.02  -0.03
    60   6     0.00  -0.03  -0.07    -0.02   0.01   0.03     0.01  -0.02  -0.03
    61   6     0.03  -0.04   0.00     0.01  -0.01   0.01    -0.01  -0.02  -0.01
    62   6    -0.01  -0.07   0.09     0.02  -0.03  -0.02    -0.03  -0.01   0.03
    63   6    -0.01  -0.10   0.01    -0.01  -0.03   0.00    -0.00  -0.01  -0.00
    64   6     0.00   0.00  -0.00    -0.02  -0.08   0.03    -0.01  -0.04   0.02
    65   6     0.00   0.00   0.00    -0.01  -0.03   0.11    -0.04  -0.04  -0.02
    66   6     0.00  -0.00   0.00    -0.03  -0.04   0.00    -0.02  -0.00   0.01
    67   6    -0.00  -0.00  -0.00    -0.01  -0.06  -0.07     0.03   0.01   0.04
    68   6    -0.00   0.00  -0.00    -0.06  -0.06  -0.06     0.00  -0.01   0.04
    69   6    -0.00  -0.00   0.00    -0.05   0.04  -0.01    -0.01   0.03   0.01
    70   6    -0.00  -0.00   0.00     0.01   0.09   0.06     0.00   0.03  -0.05
    71   6    -0.00  -0.00   0.00     0.04   0.02  -0.03     0.04   0.02  -0.02
    72   6    -0.02   0.01  -0.01     0.01  -0.01   0.00     0.03  -0.02   0.01
    73   6    -0.01  -0.03  -0.05     0.03   0.01   0.01     0.02   0.02   0.06
    74   6    -0.00   0.02   0.00     0.03  -0.01   0.00     0.01  -0.02  -0.00
    75   6    -0.00   0.04   0.05     0.02  -0.02  -0.00     0.01  -0.04  -0.05
    76   6    -0.00   0.05   0.04     0.00  -0.03   0.01     0.01  -0.06  -0.03
    77   6     0.01   0.01   0.00    -0.02  -0.02   0.02    -0.02  -0.02   0.00
    78   6     0.01  -0.04  -0.04    -0.02   0.00   0.02    -0.02   0.05   0.04
    79   6     0.00  -0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.01  -0.02
    80   8    -0.02  -0.05   0.06    -0.00  -0.04   0.01     0.01   0.17  -0.07
    81  15    -0.04  -0.02   0.01    -0.00  -0.01   0.01     0.05   0.01  -0.03
    82   8    -0.04   0.04  -0.02     0.00  -0.03   0.02     0.03   0.07  -0.03
    83   8    -0.03  -0.04   0.03    -0.00  -0.02   0.01     0.06  -0.07   0.06
    84   6    -0.05   0.02  -0.02     0.03  -0.00   0.01    -0.04  -0.01   0.01
    85   6    -0.03  -0.02  -0.08     0.01   0.01   0.04    -0.01  -0.01  -0.02
    86   6     0.04  -0.05   0.02     0.01  -0.02   0.00     0.01  -0.11  -0.01
    87   6     0.01  -0.03  -0.02     0.00  -0.02  -0.01     0.02  -0.09  -0.04
    88   1     0.02  -0.01  -0.00    -0.04  -0.09   0.06    -0.05   0.02  -0.11
    89   1     0.01   0.04  -0.01    -0.11   0.14  -0.00    -0.04   0.00  -0.07
    90   1    -0.01   0.02  -0.01    -0.19   0.01  -0.04    -0.02   0.04   0.13
    91   1     0.08  -0.07  -0.02     0.03   0.01  -0.07    -0.05  -0.06   0.03
    92   1     0.15  -0.04   0.06     0.01   0.01   0.10     0.10   0.00  -0.05
    93   1     0.12   0.04   0.03     0.06   0.05  -0.07     0.03   0.07   0.04
    94   1    -0.02  -0.00  -0.08    -0.06  -0.04  -0.04    -0.07  -0.00   0.04
    95   1    -0.01   0.03  -0.03    -0.01  -0.05   0.07    -0.05  -0.09   0.03
    96   1    -0.00   0.04  -0.01     0.06  -0.05  -0.01     0.06  -0.03   0.04
    97   1    -0.09  -0.02  -0.06     0.03   0.03   0.05    -0.04  -0.03  -0.05
    98   1    -0.13   0.12  -0.03     0.07   0.04  -0.05    -0.09   0.05  -0.02
    99   1     0.04   0.18   0.04    -0.02  -0.00  -0.07     0.03   0.10   0.02
   100   1     0.08   0.05  -0.01    -0.06  -0.00   0.01     0.07   0.02  -0.01
   101   1     0.00   0.00  -0.00     0.10  -0.09  -0.04    -0.03   0.06   0.04
   102   1     0.01   0.01  -0.00     0.21   0.07  -0.01    -0.05   0.05  -0.07
   103   1     0.01   0.01  -0.00     0.01   0.24  -0.02     0.03  -0.03  -0.05
   104   1     0.00   0.00   0.00    -0.09   0.08  -0.05     0.06  -0.01   0.04
   105   1    -0.07  -0.00   0.06     0.02   0.02  -0.01     0.09  -0.01  -0.07
   106   1    -0.06  -0.09  -0.01    -0.03   0.07  -0.09     0.05   0.12  -0.04
   107   1     0.08  -0.04  -0.07    -0.08   0.05  -0.07    -0.14   0.06   0.03
   108   1     0.07   0.05   0.01    -0.03   0.00   0.01    -0.09  -0.07  -0.00
   109   1    -0.09   0.13  -0.06    -0.02   0.04  -0.04    -0.01   0.01   0.00
   110   1    -0.01   0.15   0.15     0.04   0.03  -0.07    -0.02   0.02   0.09
   111   1     0.11   0.04   0.05     0.03   0.02   0.03     0.02  -0.00   0.00
   112   1     0.11  -0.14  -0.05    -0.01  -0.02   0.06     0.04  -0.03  -0.04
   113   1     0.02   0.00  -0.11    -0.03   0.03   0.04     0.02  -0.04  -0.05
   114   1     0.06  -0.02   0.01     0.02  -0.00   0.01    -0.01  -0.02  -0.01
   115   1    -0.02  -0.07   0.18     0.05  -0.04  -0.06    -0.05   0.00   0.08
   116   1    -0.02  -0.14   0.05    -0.00  -0.05  -0.00    -0.01   0.00   0.01
   117   1     0.00   0.01  -0.00    -0.02  -0.09   0.06    -0.02  -0.07   0.02
   118   1     0.01   0.00   0.00    -0.00  -0.00   0.21    -0.07  -0.05  -0.06
   119   1     0.01  -0.00   0.00    -0.05  -0.02  -0.01    -0.03   0.01   0.00
   120   1    -0.00  -0.01   0.00    -0.01  -0.06  -0.12     0.04   0.04   0.04
   121   1    -0.00   0.00  -0.00    -0.13  -0.11  -0.08    -0.02  -0.02   0.06
   122   1     0.00  -0.00   0.00    -0.09   0.06   0.00    -0.03   0.04   0.02
   123   1    -0.00  -0.00   0.01     0.03   0.17   0.15    -0.01   0.03  -0.09
   124   1    -0.01  -0.00   0.00     0.11   0.06  -0.04     0.06   0.03  -0.05
   125   1    -0.02   0.00  -0.03     0.01  -0.00  -0.00     0.04  -0.01   0.04
   126   1    -0.01  -0.07  -0.11     0.03   0.02   0.02     0.03   0.07   0.12
   127   1     0.01   0.02   0.00     0.03  -0.01   0.00    -0.00  -0.03  -0.01
   128   1     0.00   0.05   0.07     0.03  -0.03  -0.01     0.01  -0.06  -0.07
   129   1    -0.01   0.08   0.04     0.01  -0.05   0.01     0.01  -0.11  -0.03
   130   1     0.02   0.02  -0.00    -0.03  -0.02   0.02    -0.04  -0.02   0.01
   131   1     0.02  -0.09  -0.09    -0.03   0.02   0.03    -0.04   0.11   0.10
   132   1     0.00  -0.04   0.01    -0.01   0.01  -0.02    -0.01   0.05  -0.03
   133   1    -0.06   0.03   0.01     0.05  -0.01  -0.01    -0.10   0.00   0.07
   134   1    -0.05   0.00  -0.01     0.03   0.03   0.02    -0.03  -0.09  -0.01
   135   1     0.07  -0.02  -0.07    -0.08  -0.04   0.07     0.17   0.15  -0.11
   136   1    -0.06  -0.02  -0.08     0.06  -0.01  -0.02    -0.11   0.03   0.15
   137   1    -0.05  -0.07  -0.15     0.03   0.09   0.11    -0.03  -0.20  -0.17
   138   1     0.07  -0.04  -0.02     0.01  -0.03  -0.00    -0.01  -0.17   0.01
   139   1     0.06  -0.08   0.06     0.01  -0.03   0.01    -0.01  -0.11  -0.04
   140   1     0.08  -0.14   0.08     0.01  -0.03   0.00    -0.03   0.01  -0.11
   141   1    -0.18  -0.06  -0.09    -0.02  -0.02  -0.02     0.15  -0.08  -0.03
   142   1     0.08   0.14  -0.08     0.01   0.00  -0.01    -0.04  -0.17   0.01
   143  17    -0.01  -0.01  -0.01    -0.00   0.00   0.03    -0.01  -0.02   0.04
                     61                     62                     63
                      A                      A                      A
 Frequencies --    294.8689               295.0156               295.0249
 Red. masses --      4.8573                 4.7385                 4.7395
 Frc consts  --      0.2488                 0.2430                 0.2431
 IR Inten    --      4.7785                 1.5865                 1.5950
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.01     0.00  -0.00   0.00    -0.00  -0.01   0.00
     2   6    -0.00  -0.02  -0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.01  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.02  -0.05    -0.00  -0.00  -0.00     0.00   0.00  -0.01
     5   6    -0.00  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.01  -0.01   0.04     0.00  -0.00   0.00    -0.00  -0.00   0.01
     7   6    -0.00   0.00   0.02     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00   0.01   0.04    -0.00  -0.00  -0.00     0.00   0.00   0.01
     9   6     0.01   0.01   0.03    -0.00  -0.00   0.00     0.00   0.01   0.01
    10   6     0.01  -0.01  -0.03    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.01   0.02   0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.01   0.03  -0.02     0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   6    -0.00   0.03  -0.03    -0.00   0.00  -0.00     0.00   0.01  -0.00
    14   6    -0.01   0.01   0.02     0.00  -0.00  -0.00     0.00   0.01   0.00
    15   7     0.02   0.02   0.03    -0.00   0.00   0.00     0.00   0.01   0.01
    16   6     0.02   0.02   0.03    -0.00   0.00   0.00     0.00   0.01   0.01
    17   6     0.02   0.01   0.02    -0.00   0.00   0.00     0.00   0.00   0.00
    18   7     0.00  -0.02  -0.05    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    19   6     0.02   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   6     0.01  -0.00  -0.04    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6     0.02   0.01  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    22   6     0.02   0.02   0.03    -0.00   0.00   0.00     0.00   0.00   0.00
    23   6    -0.01  -0.02   0.01     0.00  -0.00   0.00    -0.00  -0.01   0.00
    24   6    -0.00   0.02  -0.02     0.00   0.00   0.00    -0.00   0.00   0.00
    25   6     0.01   0.00  -0.02    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    26   6     0.01   0.01   0.00     0.01   0.01   0.00    -0.00   0.00   0.00
    27   6     0.01  -0.03   0.02     0.01   0.00   0.00    -0.00   0.00  -0.00
    28   6     0.01  -0.02   0.01     0.01   0.00  -0.00    -0.00  -0.00  -0.00
    29   6    -0.00  -0.03   0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   6    -0.01   0.00  -0.00    -0.00   0.00   0.01    -0.00  -0.00  -0.00
    31   6     0.01  -0.01  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
    32   6     0.02   0.01  -0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    33   6     0.01   0.01  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    34   6     0.00   0.02  -0.01     0.00  -0.00  -0.00     0.01   0.00  -0.00
    35   6    -0.01   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    36   6     0.02  -0.00  -0.01    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    37   6     0.02  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    38   6     0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    39   6     0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    40   6     0.01   0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    41   7     0.00   0.01   0.02    -0.00   0.00   0.00     0.00   0.00   0.00
    42   7     0.01  -0.00  -0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    43   7    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    44   6    -0.03   0.01   0.05    -0.07   0.03   0.17     0.03  -0.01  -0.08
    45   6    -0.02   0.01   0.04    -0.06   0.02   0.13     0.03  -0.01  -0.06
    46   6     0.02  -0.00  -0.04     0.05  -0.02  -0.12    -0.03   0.01   0.06
    47   6     0.03  -0.00  -0.05     0.07  -0.03  -0.16    -0.04   0.01   0.08
    48   6     0.00   0.00   0.02     0.02   0.03   0.08     0.05   0.06   0.18
    49   6    -0.00  -0.00   0.00     0.01   0.02   0.06     0.03   0.04   0.13
    50   6    -0.01  -0.01  -0.02    -0.02  -0.02  -0.06    -0.04  -0.04  -0.14
    51   6    -0.01  -0.01  -0.02    -0.02  -0.03  -0.08    -0.05  -0.06  -0.18
    52   6    -0.01   0.12   0.15    -0.00  -0.04  -0.05     0.00   0.00   0.01
    53   6    -0.01   0.09   0.11    -0.00  -0.03  -0.04     0.00   0.00   0.00
    54   6    -0.03  -0.10  -0.11     0.01   0.03   0.04    -0.00  -0.00  -0.00
    55   6    -0.02  -0.13  -0.14     0.01   0.04   0.05    -0.00  -0.00  -0.00
    56   6     0.02  -0.01  -0.05     0.07  -0.03  -0.15    -0.04   0.02   0.08
    57   6    -0.02   0.00   0.01    -0.03   0.01   0.06     0.02  -0.01  -0.04
    58   6    -0.03   0.01   0.04    -0.07   0.03   0.13     0.03  -0.01  -0.06
    59   6     0.01   0.00  -0.03     0.04  -0.02  -0.11    -0.02   0.01   0.05
    60   6    -0.02   0.02   0.04    -0.05   0.02   0.11     0.02  -0.01  -0.05
    61   6     0.03  -0.00  -0.04     0.06  -0.03  -0.13    -0.03   0.01   0.07
    62   6     0.02   0.00  -0.03     0.03  -0.02  -0.07    -0.01   0.01   0.03
    63   6    -0.02   0.01   0.05    -0.07   0.03   0.15     0.03  -0.02  -0.08
    64   6    -0.00  -0.01  -0.02    -0.02  -0.02  -0.08    -0.04  -0.06  -0.17
    65   6     0.01   0.00   0.02     0.01   0.01   0.03     0.02   0.03   0.08
    66   6     0.01  -0.00   0.01     0.02   0.02   0.06     0.04   0.05   0.14
    67   6    -0.01  -0.01  -0.02    -0.01  -0.02  -0.05    -0.03  -0.04  -0.12
    68   6    -0.01  -0.00   0.00     0.01   0.02   0.05     0.02   0.04   0.12
    69   6    -0.01  -0.00  -0.01    -0.02  -0.02  -0.06    -0.04  -0.05  -0.14
    70   6    -0.01   0.00   0.00    -0.01  -0.01  -0.03    -0.02  -0.02  -0.07
    71   6    -0.00   0.00   0.01     0.02   0.02   0.08     0.04   0.06   0.17
    72   6    -0.03  -0.11  -0.14     0.01   0.04   0.05    -0.00  -0.00  -0.00
    73   6    -0.01   0.07   0.05     0.00  -0.02  -0.02     0.00   0.00   0.00
    74   6     0.00   0.11   0.11    -0.00  -0.04  -0.04     0.00   0.00   0.00
    75   6    -0.01  -0.09  -0.09     0.00   0.03   0.03     0.00  -0.00  -0.00
    76   6    -0.00   0.08   0.09    -0.00  -0.03  -0.03     0.00   0.00   0.00
    77   6     0.00  -0.11  -0.11     0.00   0.04   0.04    -0.00  -0.00  -0.00
    78   6     0.01  -0.06  -0.05     0.00   0.02   0.02    -0.00  -0.00  -0.00
    79   6     0.01   0.11   0.15    -0.00  -0.04  -0.05     0.00   0.00   0.00
    80   8    -0.00   0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    81  15    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    82   8    -0.01   0.02  -0.01     0.00   0.00  -0.00    -0.00   0.01  -0.00
    83   8    -0.01  -0.01   0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
    84   6    -0.02   0.01  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    85   6    -0.01  -0.01  -0.03     0.00   0.00   0.00    -0.00  -0.00  -0.01
    86   6     0.00  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.01  -0.00
    87   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    88   1    -0.00  -0.03  -0.03    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    89   1    -0.01  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    90   1    -0.01  -0.01   0.09     0.00  -0.00   0.00    -0.01  -0.00   0.01
    91   1     0.00   0.03   0.03     0.00   0.00  -0.00     0.00   0.00  -0.00
    92   1     0.00   0.04  -0.06    -0.00   0.00  -0.00     0.01   0.01  -0.00
    93   1    -0.02  -0.00   0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    94   1     0.03   0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    95   1     0.00  -0.02  -0.08    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    96   1     0.02   0.03   0.03    -0.00   0.00   0.00     0.01   0.00   0.00
    97   1     0.01   0.02   0.00     0.01   0.01   0.01    -0.00   0.00   0.00
    98   1     0.02  -0.04   0.03     0.01  -0.01   0.01     0.00   0.00  -0.00
    99   1    -0.01  -0.04   0.01    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
   100   1    -0.01   0.00  -0.01    -0.00   0.00   0.01    -0.01  -0.00  -0.00
   101   1     0.01  -0.02  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
   102   1     0.04   0.01  -0.02     0.01   0.00  -0.01     0.01   0.00  -0.01
   103   1     0.00   0.03  -0.01     0.00  -0.00   0.00     0.00   0.00   0.00
   104   1    -0.02   0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   105   1     0.02  -0.00  -0.01    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
   106   1     0.02   0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
   107   1     0.02  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
   108   1     0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   109   1     0.03  -0.02  -0.06     0.09  -0.04  -0.20    -0.05   0.02   0.10
   110   1    -0.03   0.01   0.05    -0.09   0.03   0.18     0.05  -0.02  -0.10
   111   1    -0.06   0.02   0.10    -0.16   0.07   0.32     0.08  -0.03  -0.16
   112   1     0.00   0.01  -0.03     0.04  -0.01  -0.10    -0.02   0.01   0.05
   113   1    -0.02   0.02   0.04    -0.05   0.01   0.11     0.02  -0.00  -0.05
   114   1     0.06  -0.01  -0.10     0.15  -0.07  -0.33    -0.07   0.03   0.16
   115   1     0.04  -0.01  -0.07     0.09  -0.04  -0.20    -0.04   0.02   0.09
   116   1    -0.03   0.01   0.07    -0.09   0.04   0.20     0.05  -0.02  -0.10
   117   1    -0.00  -0.00  -0.02    -0.03  -0.03  -0.10    -0.06  -0.07  -0.22
   118   1     0.02   0.01   0.04     0.03   0.03   0.09     0.05   0.07   0.21
   119   1     0.01   0.00   0.03     0.04   0.06   0.16     0.09   0.12   0.35
   120   1    -0.01  -0.02  -0.02    -0.01  -0.02  -0.05    -0.03  -0.03  -0.11
   121   1    -0.01  -0.00  -0.00     0.01   0.02   0.05     0.02   0.03   0.11
   122   1    -0.02  -0.01  -0.03    -0.04  -0.06  -0.16    -0.10  -0.12  -0.35
   123   1    -0.01   0.00   0.00    -0.03  -0.03  -0.09    -0.06  -0.06  -0.20
   124   1     0.00   0.01   0.02     0.02   0.03   0.10     0.06   0.07   0.22
   125   1    -0.04  -0.14  -0.19     0.01   0.05   0.06    -0.00  -0.01  -0.01
   126   1     0.00   0.17   0.16    -0.00  -0.05  -0.05     0.00   0.01   0.01
   127   1     0.02   0.27   0.27    -0.01  -0.09  -0.10     0.00   0.01   0.01
   128   1    -0.01  -0.09  -0.08     0.00   0.03   0.03     0.00  -0.00  -0.00
   129   1    -0.00   0.09   0.08    -0.00  -0.03  -0.03     0.00   0.00   0.00
   130   1    -0.00  -0.26  -0.29     0.00   0.09   0.10    -0.00  -0.01  -0.01
   131   1     0.01  -0.16  -0.15     0.00   0.05   0.06    -0.00  -0.00  -0.00
   132   1     0.01   0.13   0.20    -0.00  -0.05  -0.06     0.00   0.01   0.01
   133   1    -0.03   0.01   0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
   134   1    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   135   1     0.03  -0.01  -0.03     0.00   0.00  -0.00     0.01  -0.00  -0.01
   136   1    -0.03  -0.01  -0.04    -0.00   0.00   0.01    -0.01  -0.00  -0.00
   137   1    -0.02  -0.03  -0.07    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
   138   1     0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.01  -0.00
   139   1     0.01  -0.02   0.01    -0.00   0.00  -0.00     0.00  -0.01  -0.00
   140   1     0.01  -0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.01  -0.00
   141   1    -0.01  -0.01  -0.02     0.00  -0.00   0.00     0.00  -0.01  -0.00
   142   1     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.00  -0.01  -0.00
   143  17    -0.00  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --    296.4031               306.6382               316.7177
 Red. masses --      5.5732                 5.9607                 5.0313
 Frc consts  --      0.2885                 0.3302                 0.2974
 IR Inten    --      1.1043                 8.6269                 9.5331
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.05  -0.03     0.01  -0.04   0.02    -0.06   0.01   0.01
     2   6     0.00   0.06   0.07     0.00  -0.04  -0.02    -0.03  -0.01  -0.14
     3   6    -0.02   0.02   0.06     0.01  -0.03  -0.03    -0.01   0.01  -0.06
     4   6    -0.02   0.05   0.13     0.00  -0.03   0.04    -0.00   0.02   0.00
     5   6     0.00   0.03   0.04     0.01  -0.04  -0.02    -0.05   0.03  -0.07
     6   6     0.02   0.04  -0.12     0.01  -0.05  -0.05    -0.07   0.02  -0.02
     7   6    -0.02  -0.00  -0.06     0.05  -0.02  -0.08    -0.02   0.01   0.02
     8   6    -0.00  -0.01  -0.11     0.02  -0.01   0.02    -0.01   0.01   0.03
     9   6    -0.03  -0.03  -0.10    -0.03   0.02   0.18     0.00  -0.01   0.01
    10   6    -0.02   0.04   0.08    -0.03  -0.03   0.11     0.02   0.03   0.08
    11   6     0.00  -0.06  -0.05     0.07   0.00  -0.16    -0.04  -0.00   0.08
    12   6     0.01  -0.08   0.04     0.01  -0.00   0.01    -0.01   0.01  -0.00
    13   6     0.00  -0.09   0.07     0.04   0.01  -0.05    -0.01   0.01  -0.03
    14   6     0.02  -0.03  -0.05     0.06   0.00  -0.08    -0.03   0.01   0.04
    15   7    -0.05  -0.05  -0.09    -0.00   0.01   0.11     0.01  -0.04  -0.02
    16   6    -0.07  -0.05  -0.10    -0.02  -0.05   0.05     0.03  -0.10  -0.06
    17   6    -0.05  -0.03  -0.04    -0.05  -0.07   0.03     0.02  -0.07  -0.01
    18   7    -0.01   0.07   0.13    -0.05  -0.08   0.04     0.05   0.01   0.16
    19   6    -0.07  -0.03  -0.01    -0.01  -0.05   0.02     0.07  -0.06  -0.04
    20   6    -0.03   0.01   0.12    -0.03  -0.02  -0.01     0.09   0.03   0.04
    21   6    -0.04  -0.03   0.04    -0.06  -0.01   0.00     0.03   0.00  -0.03
    22   6    -0.05  -0.07  -0.07    -0.08  -0.05  -0.01    -0.01  -0.08  -0.11
    23   6     0.02   0.05  -0.02     0.02  -0.02   0.06    -0.05   0.02   0.11
    24   6     0.01  -0.07   0.04    -0.05   0.01   0.14     0.00   0.01  -0.05
    25   6    -0.03  -0.02   0.05    -0.05   0.03   0.02     0.02   0.05   0.00
    26   6    -0.02  -0.03  -0.01     0.00   0.05   0.11    -0.00  -0.01  -0.03
    27   6    -0.04   0.07  -0.05     0.05   0.08  -0.04    -0.01  -0.04   0.01
    28   6    -0.02   0.07  -0.02     0.02   0.05  -0.10    -0.00  -0.02   0.03
    29   6     0.01   0.09  -0.03    -0.05   0.03  -0.07     0.01  -0.02   0.02
    30   6     0.03  -0.00   0.01    -0.08   0.02   0.08     0.01  -0.00  -0.03
    31   6    -0.02   0.04   0.01     0.01  -0.00   0.03    -0.02   0.04   0.07
    32   6    -0.06  -0.01   0.03     0.02   0.01  -0.03     0.02   0.09  -0.06
    33   6    -0.03  -0.04   0.00     0.02   0.02  -0.04     0.04   0.05  -0.08
    34   6    -0.01  -0.05   0.02     0.04   0.01  -0.03     0.03   0.05  -0.06
    35   6     0.03  -0.00   0.01     0.03  -0.01   0.03    -0.01   0.02   0.06
    36   6    -0.02   0.01   0.02    -0.06   0.02   0.04    -0.00   0.03   0.02
    37   6    -0.03   0.02  -0.03    -0.04  -0.02   0.03    -0.00  -0.01  -0.00
    38   6    -0.01   0.02  -0.03     0.01  -0.03  -0.01     0.00  -0.02  -0.01
    39   6    -0.03   0.00  -0.02     0.01  -0.02   0.00     0.04   0.01  -0.01
    40   6    -0.02  -0.01   0.01    -0.01   0.02   0.02     0.03   0.05   0.00
    41   7    -0.01  -0.02  -0.05    -0.02  -0.00  -0.03     0.00  -0.02  -0.06
    42   7    -0.02   0.01   0.04     0.05  -0.02  -0.13    -0.01   0.00   0.03
    43   7     0.02   0.01  -0.01     0.02  -0.03  -0.05    -0.01  -0.04  -0.04
    44   6     0.01  -0.01   0.03    -0.00  -0.01   0.01     0.00   0.01   0.00
    45   6     0.02  -0.01   0.00    -0.04  -0.01   0.07     0.01   0.01  -0.01
    46   6     0.02  -0.02  -0.03    -0.04  -0.00   0.07     0.02   0.01  -0.01
    47   6     0.01  -0.02  -0.02    -0.01  -0.02   0.01     0.01   0.01   0.00
    48   6     0.01   0.01   0.02    -0.02   0.01  -0.00     0.02  -0.04   0.01
    49   6     0.03   0.01   0.04    -0.02   0.02   0.02     0.04  -0.03   0.04
    50   6     0.02  -0.00   0.01    -0.02   0.03   0.02     0.02  -0.03   0.04
    51   6     0.02  -0.01  -0.02    -0.02   0.01   0.01     0.01  -0.02   0.00
    52   6     0.05   0.06   0.05     0.03   0.01  -0.00    -0.02  -0.01   0.00
    53   6     0.05   0.06   0.03     0.04   0.05   0.01    -0.02   0.01   0.03
    54   6     0.05  -0.03  -0.05     0.04   0.03   0.00    -0.02   0.02   0.03
    55   6     0.03  -0.04  -0.07     0.03   0.01  -0.02    -0.02  -0.01   0.01
    56   6     0.02  -0.01  -0.02    -0.00   0.01   0.00     0.01  -0.01   0.00
    57   6     0.01  -0.00   0.04     0.05  -0.00  -0.06    -0.01  -0.00   0.01
    58   6     0.02  -0.01   0.03     0.02   0.00   0.03    -0.01  -0.00  -0.01
    59   6     0.03  -0.02  -0.02    -0.01  -0.01   0.07     0.00   0.01  -0.02
    60   6     0.00  -0.03  -0.00    -0.04  -0.01   0.06     0.01   0.01  -0.01
    61   6    -0.01  -0.03  -0.02    -0.02  -0.02   0.02     0.01   0.01  -0.01
    62   6    -0.03  -0.01   0.01     0.02  -0.04  -0.06    -0.00   0.02   0.01
    63   6    -0.01   0.00   0.01    -0.01  -0.02   0.00     0.00   0.01  -0.00
    64   6    -0.01  -0.01  -0.01     0.01   0.03  -0.00    -0.01  -0.05   0.01
    65   6    -0.02   0.00  -0.02     0.02  -0.00  -0.03    -0.02  -0.05  -0.01
    66   6    -0.01   0.02   0.02     0.02  -0.01   0.00     0.00  -0.03   0.03
    67   6     0.01   0.02   0.00    -0.01  -0.00   0.03     0.02  -0.02   0.03
    68   6     0.03   0.01   0.03    -0.01   0.01   0.01    -0.01  -0.02   0.04
    69   6     0.01   0.00  -0.02    -0.01  -0.00   0.02    -0.02   0.02   0.01
    70   6     0.01  -0.01  -0.04    -0.03  -0.02  -0.00    -0.01   0.02  -0.04
    71   6     0.02   0.01   0.01    -0.03  -0.01   0.01     0.03   0.01  -0.01
    72   6     0.04  -0.08  -0.04     0.04  -0.02   0.01    -0.02   0.02  -0.00
    73   6     0.02  -0.01   0.05     0.01  -0.04   0.01    -0.01  -0.00  -0.04
    74   6     0.01   0.03   0.06    -0.01  -0.00   0.02    -0.00   0.01  -0.00
    75   6     0.01  -0.02  -0.05     0.01   0.03   0.00    -0.01   0.01   0.03
    76   6     0.02   0.02   0.05     0.02   0.02   0.02    -0.01   0.02   0.01
    77   6    -0.03  -0.04  -0.04    -0.01   0.01  -0.01     0.01   0.00   0.01
    78   6    -0.03  -0.00  -0.04    -0.02   0.00  -0.05     0.01  -0.03  -0.01
    79   6     0.00   0.08   0.02     0.00   0.04  -0.02    -0.00  -0.02   0.02
    80   8     0.00  -0.01  -0.03     0.02   0.10  -0.05     0.01  -0.04   0.01
    81  15     0.01   0.01  -0.01     0.03   0.02  -0.03     0.00  -0.01  -0.01
    82   8     0.02  -0.06   0.02     0.03   0.06  -0.05     0.02  -0.08  -0.02
    83   8     0.02   0.03  -0.03     0.07   0.01   0.01     0.05   0.00   0.06
    84   6     0.07  -0.03   0.03    -0.07   0.00  -0.05    -0.03  -0.04  -0.08
    85   6     0.04   0.03   0.10    -0.05  -0.02  -0.11    -0.04  -0.01  -0.07
    86   6    -0.01   0.04  -0.01    -0.01   0.01  -0.00    -0.04   0.04   0.11
    87   6    -0.01   0.02   0.01    -0.00   0.01   0.00    -0.03   0.17   0.02
    88   1    -0.01   0.09   0.09     0.01  -0.05  -0.03    -0.02  -0.04  -0.20
    89   1     0.01   0.00   0.03     0.02  -0.05  -0.04    -0.06   0.06  -0.10
    90   1     0.02   0.03  -0.25     0.00  -0.05  -0.08    -0.08   0.02   0.01
    91   1    -0.02  -0.09  -0.07     0.11   0.01  -0.23    -0.05  -0.01   0.12
    92   1    -0.01  -0.10   0.15     0.04   0.00  -0.02     0.01   0.02  -0.08
    93   1     0.06   0.01  -0.07     0.06   0.01  -0.10    -0.04  -0.00   0.05
    94   1    -0.07  -0.02   0.01     0.02  -0.05   0.02     0.11  -0.05  -0.01
    95   1    -0.01   0.06   0.25    -0.02  -0.00  -0.02     0.13   0.10   0.15
    96   1    -0.03  -0.08  -0.09    -0.12  -0.05  -0.02    -0.05  -0.09  -0.13
    97   1    -0.04  -0.05  -0.02     0.03   0.08   0.16    -0.01  -0.01  -0.04
    98   1    -0.08   0.09  -0.08     0.12   0.11  -0.07    -0.02  -0.05   0.03
    99   1     0.02   0.13  -0.03    -0.08   0.02  -0.13     0.01  -0.03   0.03
   100   1     0.06  -0.01   0.02    -0.14   0.01   0.08     0.02  -0.00  -0.03
   101   1    -0.02   0.06   0.01     0.00   0.01   0.04    -0.03   0.04   0.09
   102   1    -0.11  -0.01   0.04     0.02   0.02  -0.05     0.01   0.11  -0.11
   103   1    -0.01  -0.09   0.03     0.06  -0.01  -0.05     0.05   0.07  -0.09
   104   1     0.06  -0.01   0.02     0.03  -0.01   0.04     0.00   0.01   0.08
   105   1    -0.01   0.00   0.02    -0.07   0.02   0.05    -0.04   0.03   0.03
   106   1    -0.05   0.02  -0.05    -0.08  -0.06   0.04    -0.02  -0.02  -0.01
   107   1    -0.05   0.01  -0.01     0.03  -0.02   0.00     0.08   0.00  -0.02
   108   1    -0.02  -0.00   0.01     0.02   0.05   0.01     0.04   0.07  -0.00
   109   1     0.02  -0.01  -0.03    -0.01   0.02  -0.02     0.01  -0.01   0.01
   110   1    -0.01   0.01   0.08     0.09  -0.01  -0.14    -0.02  -0.01   0.03
   111   1     0.01  -0.00   0.05     0.02   0.01   0.05    -0.01  -0.00  -0.01
   112   1     0.05  -0.03  -0.03    -0.02  -0.02   0.10    -0.00   0.02  -0.02
   113   1     0.01  -0.05  -0.01    -0.04  -0.01   0.08     0.01   0.01  -0.01
   114   1    -0.01  -0.04  -0.05    -0.03  -0.01   0.04     0.01   0.01  -0.01
   115   1    -0.04  -0.00   0.01     0.05  -0.05  -0.14    -0.01   0.02   0.03
   116   1    -0.01   0.02   0.01     0.00  -0.02  -0.02     0.00   0.01   0.01
   117   1    -0.02  -0.03  -0.01     0.02   0.05  -0.02    -0.01  -0.06   0.00
   118   1    -0.04  -0.01  -0.03     0.03  -0.01  -0.06    -0.03  -0.07  -0.04
   119   1    -0.01   0.04   0.04     0.03  -0.03   0.00    -0.00  -0.01   0.04
   120   1     0.03   0.04   0.01    -0.02  -0.02   0.04     0.02  -0.02   0.03
   121   1     0.03   0.02   0.04    -0.00   0.02   0.01    -0.04  -0.03   0.06
   122   1     0.01  -0.00  -0.03     0.00  -0.01   0.03    -0.05   0.04   0.01
   123   1     0.00  -0.02  -0.08    -0.03  -0.03  -0.02    -0.03   0.03  -0.09
   124   1     0.02   0.01   0.02    -0.05  -0.02   0.00     0.06   0.03  -0.03
   125   1     0.06  -0.11  -0.04     0.06  -0.05   0.02    -0.04   0.03  -0.02
   126   1     0.02   0.02   0.11     0.00  -0.08  -0.00    -0.01  -0.02  -0.07
   127   1    -0.01   0.09   0.13    -0.03   0.01   0.04     0.01   0.02  -0.00
   128   1    -0.01  -0.01  -0.06    -0.01   0.06  -0.00     0.00   0.01   0.04
   129   1     0.03  -0.01   0.07     0.03   0.02   0.05    -0.01   0.04   0.01
   130   1    -0.06  -0.12  -0.10    -0.03  -0.01  -0.00     0.02   0.02   0.01
   131   1    -0.06  -0.03  -0.09    -0.04  -0.02  -0.08     0.02  -0.06  -0.03
   132   1    -0.00   0.13   0.01    -0.00   0.06  -0.04     0.00  -0.04   0.03
   133   1     0.09  -0.04  -0.01    -0.12   0.02   0.01    -0.05  -0.05  -0.10
   134   1     0.06   0.01   0.03    -0.07  -0.07  -0.07    -0.04  -0.05  -0.09
   135   1    -0.09   0.04   0.08     0.10   0.02  -0.12    -0.04  -0.01  -0.07
   136   1     0.08   0.03   0.13    -0.11  -0.01  -0.07    -0.03  -0.01  -0.07
   137   1     0.07   0.09   0.20    -0.08  -0.12  -0.22    -0.05  -0.00  -0.08
   138   1    -0.03   0.04   0.00    -0.04  -0.03   0.03    -0.06   0.00   0.13
   139   1    -0.02   0.06  -0.02    -0.03   0.05  -0.04    -0.06   0.07   0.07
   140   1    -0.02   0.04  -0.01    -0.04   0.07  -0.05    -0.07   0.34  -0.00
   141   1     0.03   0.03   0.04     0.09   0.02   0.02     0.08   0.11  -0.15
   142   1    -0.02  -0.02   0.02    -0.04  -0.05   0.03    -0.06   0.25   0.06
   143  17     0.01   0.03  -0.02     0.02   0.02  -0.01    -0.01   0.02  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --    321.5230               334.1689               343.1086
 Red. masses --      3.9598                 6.1832                 6.2136
 Frc consts  --      0.2412                 0.4068                 0.4310
 IR Inten    --      9.5289                 2.4886                 2.1596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.01    -0.05   0.08  -0.02    -0.04   0.04   0.01
     2   6    -0.00   0.03   0.08    -0.07   0.07   0.07    -0.02   0.04   0.02
     3   6    -0.01   0.01   0.03    -0.08   0.03   0.03    -0.00   0.04  -0.01
     4   6    -0.01  -0.00  -0.01    -0.05  -0.01   0.04     0.00   0.01  -0.06
     5   6     0.01  -0.00   0.04    -0.06  -0.01   0.05    -0.02   0.02  -0.02
     6   6     0.02   0.01   0.01    -0.04   0.02  -0.04    -0.03   0.03   0.05
     7   6    -0.01   0.01  -0.02    -0.07   0.01  -0.04     0.02   0.04   0.01
     8   6     0.00   0.01  -0.03    -0.04   0.03  -0.01     0.01   0.02  -0.01
     9   6    -0.00   0.00  -0.03    -0.01   0.00   0.05     0.01  -0.05  -0.06
    10   6    -0.01  -0.01  -0.05    -0.01  -0.03   0.02    -0.03  -0.06  -0.05
    11   6     0.01  -0.00  -0.05    -0.03  -0.03  -0.12     0.04   0.04   0.02
    12   6     0.00  -0.01   0.00    -0.04  -0.06  -0.02     0.06   0.03   0.03
    13   6     0.00  -0.01   0.02    -0.01  -0.02  -0.01     0.04   0.01   0.04
    14   6     0.01   0.01  -0.02    -0.02   0.03  -0.05     0.04   0.02   0.01
    15   7    -0.00   0.00  -0.01     0.04  -0.00   0.05    -0.02  -0.10  -0.08
    16   6    -0.01   0.04   0.03     0.09  -0.05   0.04     0.02  -0.14   0.02
    17   6    -0.00   0.04   0.01     0.05  -0.06   0.02    -0.03  -0.12   0.08
    18   7    -0.02  -0.01  -0.09     0.00  -0.10  -0.03    -0.01  -0.13  -0.00
    19   6    -0.02   0.03   0.02     0.14  -0.03  -0.00     0.08  -0.08   0.07
    20   6    -0.03  -0.01  -0.02     0.12  -0.02  -0.08     0.04  -0.00   0.00
    21   6    -0.00   0.00   0.02     0.10   0.02  -0.03    -0.05   0.01  -0.00
    22   6     0.02   0.05   0.07     0.06  -0.01   0.04    -0.06  -0.01   0.15
    23   6     0.01   0.01  -0.07    -0.03   0.11  -0.06    -0.05   0.04  -0.03
    24   6    -0.00  -0.02   0.02    -0.06  -0.10   0.06     0.08   0.04   0.01
    25   6     0.00  -0.03  -0.01     0.09   0.04  -0.04    -0.12   0.05  -0.13
    26   6    -0.00  -0.01   0.01    -0.06  -0.06   0.02     0.06   0.04   0.02
    27   6    -0.00   0.02  -0.02    -0.06   0.05  -0.08     0.06   0.02   0.03
    28   6    -0.00   0.02  -0.02    -0.03   0.08  -0.06     0.02  -0.01   0.02
    29   6    -0.00   0.02  -0.01    -0.05   0.07  -0.05     0.07   0.00   0.02
    30   6     0.00  -0.00   0.01    -0.04  -0.04   0.04     0.07   0.02   0.01
    31   6    -0.00  -0.00  -0.04    -0.04   0.10  -0.02    -0.04   0.03  -0.02
    32   6    -0.03  -0.04   0.04    -0.09   0.03   0.06    -0.04   0.02   0.01
    33   6    -0.03  -0.03   0.05    -0.06  -0.03   0.04    -0.03  -0.00   0.02
    34   6    -0.03  -0.03   0.03    -0.07  -0.02   0.03    -0.06   0.02  -0.00
    35   6    -0.00  -0.00  -0.04    -0.03   0.05  -0.03    -0.06   0.03  -0.03
    36   6     0.01  -0.02  -0.02     0.07   0.02  -0.03    -0.12   0.01  -0.05
    37   6     0.02   0.00   0.00     0.07  -0.00  -0.01    -0.00  -0.09   0.14
    38   6     0.00   0.01   0.02     0.03  -0.00  -0.00     0.07  -0.09   0.13
    39   6    -0.02  -0.01   0.01     0.08   0.03  -0.02     0.07  -0.08   0.11
    40   6    -0.01  -0.03  -0.01     0.08   0.05  -0.03    -0.04   0.03  -0.08
    41   7     0.00   0.01   0.03     0.00  -0.02  -0.01     0.01   0.00   0.04
    42   7     0.00   0.00  -0.01     0.02   0.01  -0.02    -0.02  -0.00   0.01
    43   7     0.00   0.03   0.03    -0.02  -0.02  -0.00     0.02  -0.02   0.01
    44   6     0.00  -0.00   0.00     0.05   0.00   0.02    -0.04  -0.01  -0.02
    45   6     0.00  -0.00   0.00     0.04   0.01   0.03    -0.05  -0.03  -0.03
    46   6    -0.00  -0.00   0.00     0.04  -0.01   0.03    -0.05  -0.01  -0.03
    47   6    -0.00  -0.01   0.00     0.02  -0.00   0.01    -0.04  -0.02  -0.01
    48   6    -0.00   0.01  -0.00     0.03  -0.02  -0.00     0.02  -0.02   0.01
    49   6    -0.00   0.01  -0.02     0.06  -0.02   0.00     0.04  -0.02  -0.02
    50   6     0.01   0.00  -0.02     0.06  -0.04   0.00     0.03  -0.04  -0.01
    51   6     0.01   0.00  -0.00     0.05  -0.03  -0.01     0.03  -0.02   0.00
    52   6     0.00   0.00   0.00    -0.06  -0.02   0.01    -0.01   0.01  -0.01
    53   6     0.00  -0.01  -0.02    -0.07  -0.03   0.03     0.00   0.03  -0.03
    54   6     0.00  -0.01  -0.02    -0.07  -0.01   0.02     0.03   0.03  -0.03
    55   6     0.00   0.00  -0.00    -0.05  -0.02   0.02     0.03   0.03  -0.03
    56   6     0.00  -0.00  -0.00     0.04  -0.04   0.02    -0.05   0.04  -0.02
    57   6     0.01   0.00   0.00     0.04  -0.04   0.02    -0.03   0.05  -0.02
    58   6     0.01  -0.00   0.01     0.03  -0.02   0.03    -0.01   0.02  -0.01
    59   6     0.00  -0.01   0.00     0.03  -0.00   0.02    -0.03  -0.02  -0.01
    60   6    -0.00  -0.01   0.00     0.01  -0.03   0.02    -0.02   0.00  -0.02
    61   6    -0.01  -0.01   0.00    -0.03  -0.01  -0.01     0.01  -0.02   0.01
    62   6    -0.00  -0.01  -0.00    -0.02   0.02  -0.03     0.01  -0.05   0.02
    63   6    -0.00  -0.00  -0.00     0.01   0.04  -0.00    -0.01  -0.06   0.00
    64   6     0.00   0.01  -0.00    -0.01  -0.06   0.02    -0.01  -0.04   0.01
    65   6    -0.00   0.02   0.01    -0.04  -0.03   0.02    -0.02  -0.02   0.03
    66   6    -0.01   0.02  -0.01    -0.03   0.01   0.01    -0.02  -0.01   0.00
    67   6    -0.00   0.01  -0.02     0.04   0.01  -0.01     0.02  -0.01  -0.02
    68   6     0.01   0.00  -0.02     0.04  -0.02   0.01     0.02  -0.02  -0.01
    69   6     0.02  -0.01  -0.01     0.03   0.02  -0.02     0.02   0.01  -0.02
    70   6     0.02  -0.00   0.01     0.05   0.03  -0.04     0.04   0.03  -0.01
    71   6     0.00   0.00  -0.00     0.07   0.03  -0.02     0.05   0.02  -0.02
    72   6     0.00  -0.00  -0.00    -0.07   0.04  -0.02     0.02  -0.01   0.01
    73   6    -0.00   0.01   0.02    -0.04   0.04  -0.05    -0.03  -0.02   0.02
    74   6    -0.00  -0.01  -0.00    -0.01   0.02  -0.02    -0.04  -0.01   0.00
    75   6    -0.00  -0.01  -0.01    -0.03  -0.01   0.03    -0.02   0.03  -0.03
    76   6     0.00  -0.01  -0.01    -0.04   0.00   0.00     0.02   0.04  -0.03
    77   6     0.00  -0.00  -0.01     0.02  -0.01   0.02     0.02   0.03  -0.04
    78   6     0.00   0.02   0.01     0.03  -0.05   0.04     0.02   0.05  -0.04
    79   6     0.00   0.00  -0.01    -0.00  -0.06   0.05     0.00   0.04  -0.03
    80   8     0.03  -0.03   0.01    -0.00   0.01   0.03    -0.01   0.05  -0.04
    81  15     0.02  -0.02  -0.01    -0.01   0.00   0.01     0.00   0.00  -0.02
    82   8     0.05  -0.11  -0.05    -0.02   0.03   0.02     0.02   0.02  -0.03
    83   8     0.09  -0.03   0.13    -0.02   0.02  -0.03     0.01   0.03  -0.04
    84   6    -0.04  -0.08  -0.12    -0.03   0.04   0.02     0.05  -0.02   0.02
    85   6    -0.06  -0.01  -0.09    -0.01  -0.01  -0.03     0.03   0.02   0.07
    86   6    -0.04  -0.00   0.17     0.01   0.01  -0.05    -0.01   0.05  -0.02
    87   6    -0.03   0.22   0.01     0.01  -0.05   0.00    -0.01   0.02   0.01
    88   1    -0.00   0.05   0.12    -0.07   0.09   0.09    -0.01   0.02   0.03
    89   1     0.02  -0.02   0.06    -0.05  -0.02   0.06    -0.02   0.05  -0.03
    90   1     0.04   0.00  -0.01     0.01   0.01  -0.10    -0.01   0.03   0.09
    91   1     0.01  -0.01  -0.07    -0.03  -0.05  -0.17     0.03   0.02   0.01
    92   1    -0.00  -0.01   0.05     0.02  -0.03   0.03     0.02   0.01   0.05
    93   1     0.02   0.02  -0.03     0.00   0.06  -0.05     0.06   0.04  -0.01
    94   1    -0.03   0.03   0.01     0.18  -0.03   0.01     0.16  -0.07   0.10
    95   1    -0.05  -0.04  -0.08     0.12  -0.02  -0.14     0.08   0.05  -0.04
    96   1     0.04   0.06   0.09     0.03   0.01   0.07    -0.13   0.03   0.23
    97   1    -0.00  -0.01   0.01    -0.06  -0.08   0.04     0.06   0.03   0.00
    98   1    -0.01   0.03  -0.03    -0.10   0.09  -0.11     0.08   0.01   0.04
    99   1     0.00   0.03  -0.02    -0.05   0.09  -0.08     0.08   0.02   0.04
   100   1     0.00  -0.01   0.02    -0.01  -0.05   0.06     0.06   0.02   0.00
   101   1     0.01  -0.00  -0.05    -0.04   0.11  -0.04    -0.03   0.02  -0.03
   102   1    -0.04  -0.05   0.07    -0.16   0.02   0.07    -0.06   0.02   0.01
   103   1    -0.04  -0.04   0.06    -0.09  -0.02   0.06    -0.07   0.04   0.01
   104   1    -0.00   0.00  -0.05     0.02   0.05  -0.03    -0.05   0.03  -0.03
   105   1     0.03  -0.03  -0.03     0.05   0.03  -0.03    -0.17   0.03  -0.09
   106   1     0.03   0.02   0.00     0.09   0.02  -0.01    -0.01  -0.15   0.21
   107   1    -0.04  -0.00   0.02     0.12   0.02  -0.03     0.12  -0.09   0.15
   108   1    -0.02  -0.05  -0.01     0.07   0.04  -0.03    -0.03   0.07  -0.13
   109   1    -0.00   0.00  -0.01     0.05  -0.05   0.01    -0.07   0.07  -0.03
   110   1     0.01   0.00  -0.00     0.04  -0.05   0.01    -0.02   0.07  -0.01
   111   1     0.01  -0.00   0.01     0.00  -0.02   0.03     0.03   0.03  -0.01
   112   1     0.01  -0.01   0.01     0.03  -0.00   0.01    -0.01  -0.04   0.00
   113   1    -0.00  -0.01   0.00     0.02  -0.07   0.03    -0.02   0.03  -0.03
   114   1    -0.01  -0.01   0.00    -0.05  -0.03  -0.01     0.04   0.00   0.02
   115   1    -0.00  -0.01  -0.01    -0.04   0.03  -0.05     0.02  -0.05   0.04
   116   1     0.00  -0.00  -0.00     0.01   0.09  -0.02    -0.01  -0.10   0.01
   117   1    -0.00  -0.00   0.01    -0.03  -0.11   0.05    -0.02  -0.07   0.02
   118   1    -0.00   0.03   0.03    -0.07  -0.03   0.02    -0.03  -0.01   0.05
   119   1    -0.01   0.02  -0.02    -0.05   0.04   0.01    -0.03   0.01  -0.00
   120   1     0.00   0.02  -0.02     0.06   0.05  -0.02     0.03   0.01  -0.03
   121   1     0.02   0.01  -0.02     0.02  -0.02   0.03     0.00  -0.03  -0.00
   122   1     0.02  -0.01  -0.02     0.00   0.03  -0.02    -0.01   0.02  -0.02
   123   1     0.03  -0.00   0.03     0.05   0.04  -0.05     0.04   0.04   0.01
   124   1    -0.00  -0.00   0.01     0.10   0.04  -0.02     0.07   0.03  -0.02
   125   1     0.00  -0.00   0.00    -0.10   0.07  -0.04     0.06  -0.03   0.04
   126   1     0.00   0.03   0.04    -0.03   0.05  -0.07    -0.03  -0.04   0.04
   127   1    -0.01  -0.01  -0.01     0.03   0.02  -0.03    -0.07  -0.01   0.01
   128   1    -0.00  -0.01  -0.02    -0.00  -0.03   0.05    -0.06   0.07  -0.04
   129   1     0.00  -0.02  -0.02    -0.05   0.04  -0.03     0.01   0.06  -0.03
   130   1    -0.00  -0.01  -0.01     0.06   0.01   0.00     0.01   0.03  -0.04
   131   1     0.00   0.03   0.03     0.06  -0.06   0.04     0.02   0.04  -0.04
   132   1     0.00   0.00  -0.00     0.01  -0.11   0.08     0.00   0.04  -0.01
   133   1    -0.08  -0.08  -0.15    -0.01   0.04   0.02     0.04  -0.02   0.04
   134   1    -0.05  -0.11  -0.14    -0.02   0.04   0.02     0.05  -0.04   0.01
   135   1    -0.07   0.03  -0.11     0.05  -0.06   0.00    -0.04   0.08   0.03
   136   1    -0.05   0.00  -0.05    -0.02  -0.02  -0.09     0.04   0.03   0.15
   137   1    -0.06  -0.02  -0.10    -0.02  -0.02  -0.07     0.05   0.01   0.12
   138   1    -0.07  -0.07   0.20     0.01   0.02  -0.05    -0.02   0.06  -0.01
   139   1    -0.08   0.03   0.11     0.01   0.01  -0.04    -0.01   0.07  -0.03
   140   1    -0.09   0.47  -0.01     0.02  -0.12  -0.00    -0.01   0.01   0.01
   141   1     0.13   0.12  -0.27    -0.03  -0.02   0.08    -0.00   0.03   0.05
   142   1    -0.09   0.36   0.07     0.02  -0.10  -0.01    -0.01  -0.01   0.01
   143  17    -0.00  -0.00   0.02     0.00   0.01   0.01    -0.02   0.01   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --    356.7087               362.4472               364.7516
 Red. masses --      5.4895                 5.6514                 5.9474
 Frc consts  --      0.4115                 0.4374                 0.4662
 IR Inten    --     25.0991                 3.6148                 3.3987
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.03   0.04    -0.04   0.01  -0.07     0.04  -0.03   0.03
     2   6     0.03   0.03   0.08    -0.05  -0.01  -0.07     0.04  -0.01   0.02
     3   6     0.03   0.02  -0.03    -0.04  -0.02   0.04     0.03   0.01  -0.02
     4   6     0.03   0.03  -0.07    -0.05  -0.02   0.10     0.03   0.02  -0.03
     5   6     0.01   0.05  -0.03    -0.04  -0.03   0.06     0.04   0.02  -0.02
     6   6     0.00   0.05   0.05    -0.03  -0.03  -0.08     0.03   0.01   0.02
     7   6     0.02   0.00  -0.04     0.05  -0.03   0.02    -0.05   0.04  -0.01
     8   6     0.03  -0.01  -0.10     0.04  -0.07  -0.03    -0.06   0.07   0.04
     9   6     0.02  -0.00  -0.07     0.02  -0.06  -0.06    -0.03   0.04   0.02
    10   6     0.02   0.02  -0.04    -0.03  -0.03   0.00     0.02   0.02   0.01
    11   6    -0.03  -0.01   0.08     0.07  -0.01   0.00    -0.06   0.02  -0.02
    12   6    -0.04  -0.02   0.03     0.05   0.01  -0.01    -0.02   0.00  -0.01
    13   6    -0.05  -0.03   0.03     0.01  -0.05   0.00     0.02   0.06  -0.03
    14   6    -0.01  -0.03  -0.04     0.03  -0.08  -0.01    -0.02   0.08   0.03
    15   7     0.02   0.03   0.06     0.02  -0.02  -0.03    -0.06  -0.04  -0.07
    16   6     0.02   0.00   0.09    -0.01   0.02  -0.06    -0.05  -0.08  -0.15
    17   6    -0.00  -0.02   0.04    -0.02   0.04  -0.05    -0.01  -0.03  -0.03
    18   7     0.04   0.01   0.02    -0.06   0.01  -0.05     0.02   0.01   0.03
    19   6     0.00  -0.02   0.06    -0.02   0.03  -0.03    -0.02  -0.03  -0.08
    20   6    -0.03  -0.07  -0.07    -0.01   0.02   0.01     0.03   0.08   0.12
    21   6    -0.05  -0.06  -0.05     0.01   0.03   0.05     0.03   0.05   0.06
    22   6    -0.04  -0.07  -0.05     0.02   0.07   0.06     0.01   0.03   0.05
    23   6    -0.02   0.01  -0.04     0.01   0.09   0.01     0.01  -0.10   0.03
    24   6    -0.02  -0.02  -0.05     0.03   0.11  -0.01    -0.01  -0.08   0.03
    25   6    -0.06   0.04   0.04     0.03  -0.05   0.01     0.00  -0.00  -0.07
    26   6    -0.02  -0.02  -0.06     0.06   0.10   0.02    -0.03  -0.07   0.01
    27   6    -0.02  -0.05  -0.02     0.08  -0.01   0.08    -0.05   0.03  -0.05
    28   6    -0.01  -0.04   0.02     0.04  -0.05   0.05    -0.02   0.07  -0.05
    29   6    -0.01  -0.03  -0.01     0.03  -0.04   0.05    -0.01   0.05  -0.04
    30   6    -0.01  -0.02  -0.05     0.01   0.07  -0.00     0.01  -0.05   0.03
    31   6    -0.02   0.01  -0.05    -0.01   0.09   0.04     0.03  -0.11   0.01
    32   6    -0.03  -0.02   0.00    -0.04   0.06   0.04     0.08  -0.05  -0.05
    33   6    -0.03  -0.02   0.03    -0.01   0.02   0.00     0.05   0.01  -0.03
    34   6    -0.04  -0.01  -0.00    -0.00   0.02   0.03     0.05  -0.00  -0.03
    35   6    -0.03   0.00  -0.05     0.01   0.06   0.03     0.00  -0.07   0.01
    36   6    -0.07   0.04   0.07     0.03  -0.04  -0.02    -0.01  -0.02  -0.08
    37   6    -0.08   0.02   0.04     0.02  -0.01  -0.04     0.05  -0.05   0.02
    38   6    -0.04   0.01  -0.02    -0.00   0.00  -0.01     0.06  -0.05   0.08
    39   6    -0.03   0.02   0.01    -0.03  -0.02  -0.02     0.06  -0.05   0.03
    40   6    -0.04   0.04   0.05     0.00  -0.05  -0.00     0.01  -0.01  -0.09
    41   7     0.01   0.02   0.08    -0.03  -0.04  -0.12     0.02   0.02   0.06
    42   7    -0.03   0.01   0.07     0.03  -0.02  -0.05    -0.01   0.02   0.01
    43   7    -0.01  -0.08  -0.10     0.00   0.06   0.07     0.02   0.07   0.10
    44   6     0.00   0.01   0.01    -0.03  -0.01  -0.03     0.02   0.00   0.02
    45   6     0.03   0.01  -0.02    -0.05  -0.01  -0.00     0.03  -0.00   0.01
    46   6     0.04   0.01  -0.02    -0.04   0.01  -0.00     0.01  -0.01   0.00
    47   6     0.01   0.02   0.02    -0.01  -0.01  -0.02    -0.00  -0.00   0.01
    48   6     0.01   0.00   0.01     0.01  -0.02  -0.02    -0.01   0.02   0.01
    49   6     0.01  -0.01  -0.03     0.03  -0.00   0.04    -0.04   0.01  -0.01
    50   6     0.01  -0.02  -0.03     0.03  -0.01   0.04    -0.04   0.03  -0.02
    51   6     0.02  -0.00   0.01     0.01  -0.02  -0.02    -0.03   0.02   0.01
    52   6     0.03  -0.01  -0.02    -0.00   0.01   0.01    -0.03   0.01   0.02
    53   6     0.04   0.04   0.02    -0.00  -0.02  -0.02    -0.03  -0.02  -0.03
    54   6     0.04   0.03   0.03    -0.01  -0.02  -0.02    -0.02  -0.01  -0.04
    55   6     0.02  -0.01  -0.02    -0.00   0.01   0.01     0.00   0.02   0.01
    56   6     0.02  -0.02   0.00    -0.04   0.04  -0.01     0.02  -0.02   0.00
    57   6    -0.01  -0.02   0.03    -0.02   0.03  -0.04     0.02  -0.02   0.02
    58   6    -0.00  -0.01  -0.01    -0.02   0.02  -0.01     0.02  -0.01   0.01
    59   6     0.01   0.01  -0.02    -0.04   0.00   0.00     0.02  -0.01   0.00
    60   6     0.02   0.01  -0.01    -0.03   0.01  -0.00     0.01  -0.02   0.00
    61   6     0.01   0.02  -0.01     0.01  -0.01   0.01    -0.01  -0.01  -0.00
    62   6    -0.01   0.04   0.02     0.02  -0.03  -0.00    -0.02   0.01  -0.00
    63   6     0.01   0.03  -0.01    -0.01  -0.04   0.01     0.01   0.01  -0.00
    64   6    -0.00  -0.01  -0.00    -0.00  -0.03   0.02     0.01   0.04  -0.02
    65   6    -0.01   0.01   0.03    -0.02  -0.04  -0.03     0.03   0.04   0.00
    66   6    -0.01   0.00  -0.01    -0.00  -0.01   0.02     0.01   0.01  -0.01
    67   6     0.00   0.00  -0.02     0.02  -0.00   0.03    -0.03   0.00  -0.01
    68   6     0.01  -0.01  -0.02     0.02  -0.00   0.03    -0.03   0.01  -0.02
    69   6     0.02  -0.00  -0.02     0.01   0.02   0.01    -0.03  -0.01   0.01
    70   6     0.03   0.01   0.02     0.01   0.00  -0.05    -0.04  -0.02   0.04
    71   6     0.02   0.01  -0.01     0.03   0.02   0.00    -0.05  -0.02   0.01
    72   6     0.04  -0.02   0.02    -0.00  -0.00  -0.01    -0.02   0.01  -0.02
    73   6     0.03  -0.05  -0.01    -0.00   0.02   0.02    -0.04   0.04   0.02
    74   6     0.02   0.00   0.03    -0.00  -0.01  -0.01    -0.04  -0.01  -0.02
    75   6     0.03   0.02   0.02    -0.00  -0.02  -0.02    -0.03  -0.01  -0.02
    76   6     0.02   0.02   0.03    -0.00  -0.02  -0.02    -0.01  -0.00  -0.04
    77   6    -0.01   0.02   0.01     0.00  -0.01  -0.01     0.02   0.00  -0.03
    78   6    -0.02  -0.01  -0.05     0.00   0.02   0.03     0.02   0.03   0.03
    79   6     0.00   0.04  -0.01    -0.00  -0.01  -0.01    -0.00  -0.01  -0.00
    80   8     0.05   0.11   0.11     0.05   0.05   0.13     0.04   0.06   0.13
    81  15     0.02   0.01   0.03     0.01  -0.00   0.03    -0.01   0.00   0.02
    82   8    -0.04  -0.08   0.07    -0.08  -0.10   0.11    -0.07  -0.11   0.09
    83   8     0.15   0.06   0.01     0.09   0.06  -0.02     0.13   0.06   0.00
    84   6    -0.10   0.04  -0.04    -0.08   0.06  -0.00    -0.05   0.03  -0.01
    85   6    -0.06  -0.03  -0.15    -0.04  -0.03  -0.12    -0.03  -0.02  -0.08
    86   6     0.01   0.02  -0.07     0.01   0.04  -0.07     0.01   0.03  -0.07
    87   6     0.01  -0.08  -0.00     0.00  -0.05   0.01     0.00  -0.06   0.00
    88   1     0.04   0.03   0.12    -0.06   0.00  -0.11     0.04  -0.02   0.03
    89   1     0.00   0.07  -0.03    -0.04  -0.04   0.08     0.04   0.02  -0.03
    90   1    -0.01   0.06   0.07    -0.01  -0.04  -0.12     0.00   0.01   0.03
    91   1    -0.06  -0.01   0.15     0.08  -0.00   0.01    -0.06   0.01  -0.03
    92   1    -0.07  -0.03   0.06    -0.05  -0.05   0.02     0.07   0.06  -0.06
    93   1    -0.02  -0.03  -0.03     0.02  -0.09  -0.01     0.00   0.11   0.02
    94   1     0.01  -0.01   0.08    -0.04   0.02  -0.04    -0.00  -0.04  -0.10
    95   1    -0.03  -0.09  -0.12    -0.02   0.01  -0.00     0.05   0.14   0.23
    96   1    -0.04  -0.07  -0.07     0.05   0.08   0.09    -0.01   0.05   0.08
    97   1    -0.02  -0.02  -0.07     0.07   0.14   0.01    -0.05  -0.11   0.02
    98   1    -0.04  -0.06  -0.01     0.13  -0.03   0.10    -0.09   0.05  -0.07
    99   1    -0.01  -0.05  -0.00     0.02  -0.07   0.06     0.00   0.08  -0.04
   100   1    -0.01  -0.01  -0.06    -0.03   0.09  -0.02     0.04  -0.07   0.05
   101   1    -0.01   0.01  -0.06    -0.02   0.11   0.04     0.03  -0.14   0.02
   102   1    -0.04  -0.02   0.02    -0.08   0.07   0.03     0.13  -0.05  -0.05
   103   1    -0.05  -0.00   0.01    -0.00   0.01   0.03     0.05   0.01  -0.04
   104   1    -0.02   0.01  -0.06     0.04   0.05   0.04    -0.03  -0.07   0.01
   105   1    -0.08   0.04   0.08     0.06  -0.05  -0.02    -0.04  -0.01  -0.10
   106   1    -0.11  -0.01   0.04     0.04   0.01  -0.04     0.06  -0.06   0.03
   107   1    -0.03   0.02   0.00    -0.05  -0.01  -0.02     0.09  -0.06   0.05
   108   1    -0.02   0.06   0.06    -0.01  -0.07   0.01     0.00   0.01  -0.13
   109   1     0.03  -0.04   0.01    -0.05   0.05  -0.00     0.02  -0.02  -0.01
   110   1    -0.03  -0.02   0.06    -0.01   0.03  -0.06     0.02  -0.01   0.03
   111   1    -0.02  -0.01  -0.03    -0.01   0.03   0.00     0.02  -0.01   0.01
   112   1     0.01   0.03  -0.04    -0.04   0.00   0.02     0.03  -0.02  -0.00
   113   1     0.03   0.01  -0.02    -0.03   0.05   0.01     0.01  -0.04  -0.00
   114   1     0.01   0.01  -0.03     0.03   0.01   0.03    -0.02  -0.02  -0.01
   115   1    -0.02   0.05   0.05     0.05  -0.04  -0.01    -0.03   0.01  -0.00
   116   1     0.01   0.04  -0.00    -0.01  -0.08   0.02     0.01   0.04  -0.01
   117   1    -0.01  -0.03   0.01    -0.01  -0.04   0.03     0.02   0.07  -0.04
   118   1    -0.01   0.02   0.07    -0.04  -0.06  -0.07     0.05   0.04   0.02
   119   1    -0.02   0.01  -0.02    -0.01   0.01   0.04     0.03  -0.02  -0.02
   120   1     0.01   0.01  -0.04     0.03   0.01   0.04    -0.04  -0.03  -0.01
   121   1     0.01  -0.01  -0.03     0.01  -0.00   0.06    -0.03   0.01  -0.04
   122   1     0.01  -0.00  -0.03    -0.00   0.03   0.03    -0.01  -0.03  -0.00
   123   1     0.04   0.02   0.05    -0.01  -0.00  -0.11    -0.03  -0.02   0.07
   124   1     0.02   0.01  -0.01     0.05   0.03   0.00    -0.07  -0.03   0.00
   125   1     0.05  -0.03   0.03    -0.01  -0.01  -0.01    -0.01   0.01  -0.01
   126   1     0.03  -0.09  -0.05     0.00   0.05   0.05    -0.04   0.07   0.06
   127   1     0.00   0.01   0.05    -0.00  -0.02  -0.02    -0.03  -0.02  -0.04
   128   1     0.02   0.04   0.03    -0.00  -0.03  -0.03    -0.04  -0.01  -0.04
   129   1     0.03   0.02   0.06    -0.00  -0.03  -0.03    -0.02   0.01  -0.07
   130   1    -0.03   0.02   0.04     0.00  -0.02  -0.02     0.03  -0.01  -0.05
   131   1    -0.04  -0.05  -0.10     0.00   0.05   0.05     0.04   0.06   0.07
   132   1    -0.00   0.06  -0.03    -0.00  -0.01  -0.01     0.00  -0.04   0.02
   133   1    -0.07   0.02  -0.11    -0.02   0.03  -0.10     0.01   0.01  -0.10
   134   1    -0.10   0.08  -0.03    -0.09   0.15   0.03    -0.06   0.12   0.03
   135   1     0.07  -0.16  -0.06     0.08  -0.19  -0.02     0.03  -0.14  -0.01
   136   1    -0.07  -0.07  -0.30    -0.04  -0.07  -0.31    -0.01  -0.05  -0.22
   137   1    -0.10  -0.02  -0.24    -0.08   0.01  -0.20    -0.05   0.02  -0.12
   138   1    -0.05  -0.06  -0.02    -0.04   0.00  -0.03    -0.05  -0.04  -0.01
   139   1    -0.03   0.08  -0.14    -0.02   0.09  -0.11    -0.03   0.10  -0.13
   140   1    -0.01  -0.12  -0.06    -0.00  -0.10  -0.03    -0.01  -0.09  -0.05
   141   1     0.05  -0.02   0.15     0.02   0.01   0.14     0.05  -0.00   0.14
   142   1    -0.02  -0.23   0.02    -0.01  -0.17   0.01    -0.02  -0.20   0.02
   143  17     0.02  -0.02   0.02    -0.00   0.00  -0.01    -0.01   0.00   0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --    372.9922               387.6741               396.2513
 Red. masses --      5.9284                 6.1756                 5.6356
 Frc consts  --      0.4859                 0.5468                 0.5214
 IR Inten    --      5.5506                 3.0149                 1.9141
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.10    -0.01  -0.05  -0.03    -0.02  -0.02   0.05
     2   6    -0.05   0.00   0.02    -0.09  -0.02  -0.00    -0.05  -0.03   0.01
     3   6    -0.05  -0.02  -0.03    -0.09  -0.00   0.00    -0.03  -0.03  -0.03
     4   6    -0.05  -0.08  -0.16    -0.06  -0.07   0.03    -0.03  -0.04  -0.02
     5   6    -0.02  -0.09  -0.14    -0.02  -0.11   0.05    -0.03  -0.05  -0.04
     6   6     0.01  -0.04   0.18     0.00  -0.10  -0.03    -0.02  -0.05   0.04
     7   6    -0.03  -0.00   0.03    -0.10   0.06  -0.04     0.02  -0.02  -0.05
     8   6    -0.04   0.00   0.08    -0.04   0.12  -0.09     0.06   0.03  -0.07
     9   6    -0.02  -0.01  -0.00    -0.03   0.01  -0.04     0.01   0.05   0.11
    10   6    -0.02  -0.02  -0.02    -0.03  -0.04   0.01     0.01   0.02   0.06
    11   6     0.02   0.01  -0.05    -0.08   0.08  -0.06     0.01  -0.02  -0.02
    12   6     0.06   0.02  -0.04    -0.01   0.06   0.08    -0.04  -0.03   0.10
    13   6     0.05   0.02  -0.05    -0.02   0.09   0.13    -0.01  -0.00   0.11
    14   6     0.01   0.01   0.06     0.04   0.14  -0.11     0.08   0.04  -0.14
    15   7    -0.02  -0.01  -0.03    -0.05  -0.03  -0.04     0.04   0.06   0.13
    16   6    -0.02  -0.01  -0.06    -0.01  -0.01   0.06     0.00  -0.02  -0.04
    17   6     0.01   0.03   0.03    -0.01  -0.02   0.04    -0.00  -0.01  -0.01
    18   7     0.02   0.08   0.19    -0.02  -0.03   0.02    -0.00   0.00   0.02
    19   6    -0.02  -0.01  -0.07     0.02   0.02   0.08    -0.02  -0.06  -0.12
    20   6     0.02   0.05   0.08    -0.00  -0.03  -0.07     0.03   0.04   0.10
    21   6     0.01  -0.01  -0.04     0.02  -0.03  -0.07     0.02   0.04   0.09
    22   6    -0.02  -0.05  -0.14    -0.00  -0.03   0.01    -0.01  -0.02  -0.04
    23   6     0.03   0.04  -0.06     0.04  -0.04   0.00     0.04   0.04  -0.01
    24   6     0.05   0.05   0.03     0.07  -0.01   0.03    -0.05   0.04  -0.00
    25   6     0.05  -0.01   0.02     0.05   0.01  -0.01     0.00   0.02   0.01
    26   6     0.05   0.05   0.06     0.10   0.02   0.00     0.01   0.07  -0.05
    27   6     0.05   0.05   0.06     0.09   0.01  -0.02     0.04  -0.07  -0.03
    28   6     0.02   0.04   0.01     0.06  -0.02   0.01     0.02  -0.14   0.03
    29   6     0.04   0.04   0.04     0.10   0.00  -0.02    -0.03  -0.11  -0.04
    30   6     0.05   0.04   0.05     0.08   0.01  -0.01    -0.08   0.04  -0.09
    31   6    -0.00   0.05  -0.09     0.06  -0.06   0.02     0.02   0.05  -0.04
    32   6    -0.08  -0.05   0.02     0.07  -0.04   0.01    -0.04  -0.02   0.01
    33   6    -0.09  -0.09   0.08     0.05  -0.00  -0.01    -0.05  -0.06   0.05
    34   6    -0.06  -0.08   0.03     0.06  -0.02   0.02    -0.01  -0.05   0.02
    35   6     0.04   0.02  -0.09     0.05  -0.04   0.02     0.06   0.02  -0.04
    36   6     0.06  -0.00   0.03     0.09   0.02   0.01    -0.04  -0.01  -0.03
    37   6     0.02   0.04  -0.05     0.05   0.06  -0.03    -0.00  -0.07  -0.01
    38   6    -0.02   0.04  -0.05     0.00   0.06  -0.05     0.04  -0.07   0.04
    39   6    -0.00   0.03  -0.02     0.03   0.06  -0.01     0.04  -0.06  -0.01
    40   6     0.03  -0.00   0.03     0.05   0.02   0.02     0.01   0.01  -0.05
    41   7     0.01   0.01   0.12    -0.00  -0.02  -0.06    -0.01  -0.01   0.03
    42   7     0.04  -0.01  -0.09    -0.05   0.02   0.14    -0.06  -0.01   0.14
    43   7    -0.01  -0.01  -0.02    -0.01  -0.05  -0.08     0.02   0.07   0.11
    44   6    -0.01  -0.01  -0.02    -0.05  -0.00   0.03    -0.04   0.01   0.03
    45   6    -0.04  -0.02   0.02    -0.02  -0.02  -0.05     0.01   0.02  -0.05
    46   6    -0.05  -0.01   0.01    -0.02  -0.00  -0.06     0.04   0.03  -0.04
    47   6    -0.02  -0.02  -0.03    -0.03   0.00   0.03     0.01   0.03   0.05
    48   6    -0.00   0.03   0.01    -0.02   0.00  -0.01    -0.01   0.02   0.00
    49   6     0.00   0.01  -0.05    -0.03   0.01   0.02    -0.00   0.01  -0.02
    50   6     0.02  -0.01  -0.05    -0.02   0.03   0.02     0.01   0.00  -0.02
    51   6     0.04  -0.00   0.02    -0.03   0.01  -0.02     0.02  -0.00   0.00
    52   6     0.00  -0.01  -0.00    -0.00  -0.02  -0.01    -0.02   0.02   0.03
    53   6    -0.00  -0.01   0.02    -0.01  -0.00   0.04    -0.02  -0.02  -0.04
    54   6    -0.02  -0.01   0.02    -0.03   0.00   0.04    -0.00  -0.01  -0.04
    55   6    -0.02  -0.01   0.01    -0.03  -0.03  -0.01     0.01   0.03   0.02
    56   6    -0.04   0.03  -0.01    -0.03   0.04  -0.04     0.02  -0.01  -0.01
    57   6     0.00   0.03  -0.04    -0.06   0.06   0.01    -0.04  -0.01   0.04
    58   6    -0.01   0.02   0.01    -0.02   0.03  -0.04    -0.02  -0.01  -0.03
    59   6    -0.03  -0.01   0.02    -0.03  -0.00  -0.04     0.01   0.02  -0.03
    60   6    -0.03  -0.01   0.01    -0.01  -0.01  -0.04     0.03   0.04  -0.02
    61   6    -0.01  -0.03   0.02     0.02  -0.03  -0.01     0.04   0.04  -0.02
    62   6     0.01  -0.06  -0.02    -0.01  -0.04   0.06     0.00   0.06   0.04
    63   6    -0.01  -0.05   0.01     0.01  -0.05  -0.01     0.00   0.03  -0.02
    64   6     0.00  -0.00  -0.01     0.02   0.04  -0.01     0.01   0.01  -0.00
    65   6    -0.01   0.04   0.03     0.02   0.02  -0.04    -0.00   0.02   0.00
    66   6    -0.02   0.03  -0.03     0.02   0.02  -0.00    -0.01   0.02  -0.01
    67   6     0.01   0.02  -0.03    -0.02   0.02   0.01     0.00   0.02  -0.01
    68   6     0.03   0.00  -0.03    -0.03   0.02   0.01     0.01   0.01  -0.01
    69   6     0.04  -0.01  -0.03    -0.03  -0.01   0.02     0.02  -0.01  -0.01
    70   6     0.05   0.01   0.03    -0.05  -0.03   0.00     0.02  -0.00   0.01
    71   6     0.01   0.01  -0.01    -0.04  -0.02   0.02     0.00   0.00  -0.00
    72   6    -0.01   0.01  -0.00    -0.03   0.03  -0.00    -0.00  -0.01  -0.02
    73   6     0.00   0.01  -0.02    -0.01   0.00  -0.05    -0.02   0.03   0.03
    74   6     0.01   0.01  -0.00     0.00   0.02  -0.00    -0.03  -0.01  -0.01
    75   6     0.00  -0.01   0.01    -0.01   0.00   0.03    -0.02  -0.01  -0.02
    76   6    -0.01  -0.01   0.01    -0.02  -0.01   0.03    -0.00  -0.00  -0.03
    77   6    -0.01  -0.01   0.02    -0.00  -0.02   0.04     0.01   0.00  -0.03
    78   6    -0.00  -0.03   0.02    -0.00  -0.06   0.02     0.02   0.04   0.02
    79   6     0.00  -0.02   0.01     0.01  -0.03   0.04    -0.00  -0.01  -0.02
    80   8     0.00   0.01   0.02    -0.01   0.04   0.04    -0.01  -0.03  -0.05
    81  15    -0.00   0.00   0.00    -0.02  -0.00  -0.00     0.01   0.00   0.01
    82   8    -0.02  -0.02   0.02     0.01  -0.01  -0.02     0.03   0.04  -0.01
    83   8     0.01   0.01  -0.00     0.08   0.02   0.01    -0.05  -0.02   0.00
    84   6    -0.01   0.01   0.00     0.02  -0.03  -0.02    -0.01   0.01  -0.00
    85   6    -0.00  -0.00  -0.01     0.00   0.01   0.02    -0.01  -0.00  -0.02
    86   6     0.00   0.01  -0.01     0.00   0.01  -0.02     0.00  -0.02   0.01
    87   6     0.00  -0.01   0.00    -0.00  -0.02   0.00     0.00  -0.00  -0.00
    88   1    -0.06   0.01   0.01    -0.09   0.00   0.01    -0.05  -0.03  -0.01
    89   1    -0.02  -0.12  -0.22    -0.01  -0.13   0.09    -0.03  -0.06  -0.08
    90   1     0.06  -0.03   0.32     0.02  -0.11  -0.05    -0.01  -0.05   0.06
    91   1     0.03   0.01  -0.09    -0.08   0.05  -0.14     0.04  -0.01  -0.07
    92   1     0.06   0.02  -0.08    -0.04   0.08   0.23    -0.02  -0.02   0.20
    93   1     0.01   0.02   0.08     0.11   0.20  -0.21     0.12   0.06  -0.23
    94   1    -0.03  -0.02  -0.08     0.06   0.04   0.13    -0.05  -0.11  -0.22
    95   1     0.04   0.10   0.22    -0.02  -0.06  -0.11     0.05   0.08   0.16
    96   1    -0.03  -0.08  -0.22    -0.02  -0.01   0.04    -0.03  -0.06  -0.11
    97   1     0.05   0.05   0.06     0.11   0.04   0.00     0.04   0.15  -0.05
    98   1     0.07   0.05   0.06     0.13   0.01  -0.02     0.11  -0.06  -0.04
    99   1     0.05   0.05   0.04     0.10   0.01  -0.02    -0.07  -0.18  -0.07
   100   1     0.04   0.03   0.06     0.07   0.02  -0.02    -0.15   0.10  -0.15
   101   1    -0.00   0.11  -0.12     0.06  -0.08   0.03     0.02   0.10  -0.06
   102   1    -0.13  -0.05   0.03     0.10  -0.04   0.01    -0.08  -0.01   0.01
   103   1    -0.05  -0.12   0.05     0.06  -0.03   0.02     0.01  -0.09   0.02
   104   1     0.09   0.03  -0.13     0.03  -0.04   0.02     0.11   0.03  -0.07
   105   1     0.08  -0.01   0.05     0.13   0.01   0.03    -0.09   0.01  -0.03
   106   1     0.02   0.06  -0.08     0.07   0.09  -0.04    -0.04  -0.10  -0.01
   107   1    -0.01   0.03  -0.02     0.02   0.06  -0.01     0.08  -0.07  -0.02
   108   1     0.02  -0.03   0.05     0.05  -0.00   0.05     0.02   0.05  -0.10
   109   1    -0.06   0.06  -0.01    -0.03   0.05  -0.05     0.04  -0.05  -0.00
   110   1     0.02   0.04  -0.08    -0.08   0.07   0.06    -0.07  -0.01   0.09
   111   1     0.01   0.03   0.03     0.02   0.03  -0.06    -0.02  -0.02  -0.07
   112   1    -0.02  -0.03   0.04    -0.02  -0.01  -0.06    -0.01   0.05  -0.07
   113   1    -0.04  -0.00   0.02     0.01   0.01  -0.08     0.03   0.07  -0.04
   114   1     0.00  -0.01   0.04     0.05  -0.02  -0.03     0.04   0.03  -0.06
   115   1     0.03  -0.07  -0.05    -0.02  -0.03   0.12    -0.01   0.07   0.10
   116   1    -0.01  -0.07   0.01     0.01  -0.09  -0.03     0.00   0.01  -0.02
   117   1    -0.01  -0.03   0.01     0.03   0.07  -0.01     0.00  -0.01   0.01
   118   1    -0.01   0.05   0.08     0.02   0.02  -0.06    -0.01   0.03   0.02
   119   1    -0.03   0.03  -0.05     0.04   0.00   0.01    -0.01   0.02  -0.02
   120   1     0.02   0.05  -0.05    -0.02   0.01   0.04     0.01   0.04  -0.01
   121   1     0.05   0.02  -0.05    -0.02   0.02   0.02     0.03   0.02  -0.01
   122   1     0.03  -0.02  -0.05    -0.01  -0.02   0.04     0.02  -0.01  -0.02
   123   1     0.06   0.01   0.07    -0.06  -0.04  -0.02     0.02  -0.01   0.02
   124   1    -0.01  -0.00   0.00    -0.05  -0.03   0.02    -0.01  -0.01   0.01
   125   1    -0.03   0.02  -0.02    -0.05   0.05  -0.01     0.01  -0.02  -0.02
   126   1     0.01   0.00  -0.03    -0.01  -0.01  -0.08    -0.02   0.06   0.07
   127   1     0.02   0.01  -0.00     0.03   0.04   0.01    -0.03  -0.03  -0.04
   128   1     0.02  -0.02   0.02     0.01  -0.00   0.05    -0.03  -0.01  -0.05
   129   1    -0.01  -0.02   0.02    -0.02  -0.01   0.04    -0.01  -0.00  -0.06
   130   1     0.00  -0.01   0.02     0.01   0.00   0.05     0.01  -0.02  -0.05
   131   1    -0.01  -0.03   0.01    -0.01  -0.08  -0.01     0.03   0.07   0.06
   132   1     0.00  -0.02   0.01     0.01  -0.03   0.03    -0.00  -0.03  -0.01
   133   1     0.01   0.00  -0.02     0.01  -0.03  -0.01    -0.03   0.02   0.03
   134   1    -0.01   0.03   0.01     0.02  -0.03  -0.02    -0.01  -0.02  -0.02
   135   1     0.01  -0.03   0.00    -0.04   0.04  -0.01     0.03  -0.01  -0.01
   136   1     0.00  -0.01  -0.04     0.02   0.01   0.06    -0.03  -0.00  -0.03
   137   1    -0.01   0.01  -0.02     0.02   0.01   0.05    -0.02  -0.02  -0.05
   138   1    -0.01  -0.00  -0.00    -0.03  -0.03   0.01     0.02   0.01  -0.01
   139   1    -0.00   0.01  -0.02    -0.02   0.04  -0.06     0.02  -0.04   0.04
   140   1    -0.00  -0.01  -0.01    -0.01  -0.02  -0.02     0.01  -0.00   0.01
   141   1     0.00   0.00   0.02     0.02   0.00   0.05    -0.01  -0.01  -0.03
   142   1    -0.00  -0.02   0.00    -0.01  -0.07   0.01     0.01   0.03  -0.01
   143  17    -0.01  -0.01  -0.00     0.01   0.00   0.00     0.02   0.01   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --    409.8316               417.3383               424.0503
 Red. masses --      6.5390                 5.8118                 3.7945
 Frc consts  --      0.6471                 0.5964                 0.4020
 IR Inten    --      2.3546                10.1683                 2.4492
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.07   0.04     0.02   0.03   0.00    -0.00  -0.01  -0.02
     2   6     0.09   0.06  -0.01     0.03   0.03  -0.03     0.02  -0.00   0.08
     3   6     0.06   0.02  -0.02     0.01   0.01   0.00     0.03  -0.01  -0.04
     4   6     0.03   0.07   0.03     0.02  -0.06   0.03     0.02  -0.00  -0.07
     5   6     0.05   0.09  -0.03     0.04  -0.07  -0.01     0.01   0.01   0.05
     6   6     0.05   0.11  -0.04     0.06  -0.03  -0.01     0.00  -0.00   0.00
     7   6     0.04  -0.02  -0.04    -0.02   0.03  -0.01     0.01  -0.00  -0.04
     8   6    -0.02  -0.10  -0.03    -0.02  -0.00   0.00    -0.01  -0.02  -0.01
     9   6    -0.09  -0.03   0.05     0.02  -0.07  -0.00    -0.02   0.00  -0.01
    10   6    -0.06  -0.02   0.06     0.00  -0.07   0.03     0.00  -0.01  -0.04
    11   6     0.03  -0.05   0.03    -0.04   0.08  -0.03    -0.03   0.01   0.03
    12   6     0.01  -0.05   0.04    -0.03   0.07  -0.00    -0.01   0.02  -0.01
    13   6    -0.02  -0.12  -0.03    -0.05   0.07  -0.03    -0.02   0.00  -0.05
    14   6    -0.01  -0.12  -0.04    -0.04   0.02  -0.02    -0.04  -0.03   0.03
    15   7    -0.08  -0.02   0.04     0.06  -0.02   0.00    -0.00   0.04   0.06
    16   6    -0.09  -0.02   0.04     0.05   0.02   0.00    -0.01   0.02   0.04
    17   6    -0.06  -0.05   0.00     0.02   0.02  -0.01     0.01   0.01   0.03
    18   7    -0.07  -0.08   0.01    -0.02  -0.03   0.02     0.02   0.01   0.02
    19   6    -0.06   0.04   0.04     0.05   0.03  -0.02    -0.04  -0.02  -0.04
    20   6    -0.08   0.04  -0.04     0.01   0.05  -0.05    -0.02   0.00   0.03
    21   6    -0.01   0.04  -0.02    -0.03   0.05  -0.03     0.00   0.00   0.02
    22   6    -0.05   0.02   0.04    -0.01   0.07  -0.04    -0.01  -0.04  -0.05
    23   6    -0.05  -0.03   0.07    -0.05  -0.01   0.04    -0.01  -0.00  -0.06
    24   6     0.00   0.03   0.02     0.02  -0.06   0.07     0.01  -0.01   0.02
    25   6     0.08  -0.01   0.01    -0.00  -0.04   0.06     0.00   0.02   0.02
    26   6     0.04   0.06  -0.01     0.05  -0.05   0.05     0.02   0.05  -0.05
    27   6     0.06  -0.02   0.02     0.06   0.01  -0.06     0.02  -0.05   0.06
    28   6     0.04  -0.05   0.02     0.05   0.05  -0.09     0.02   0.02  -0.02
    29   6     0.02  -0.01  -0.02     0.07   0.03  -0.08     0.03   0.08  -0.08
    30   6    -0.00   0.03  -0.00     0.04  -0.07   0.07     0.02  -0.08   0.10
    31   6    -0.07  -0.01   0.03    -0.06   0.01   0.01     0.04   0.02  -0.10
    32   6    -0.04  -0.00  -0.09    -0.05   0.01  -0.04    -0.00  -0.02   0.13
    33   6    -0.02  -0.00  -0.09    -0.02   0.03  -0.07     0.02   0.04   0.04
    34   6    -0.03  -0.00  -0.10    -0.04   0.04  -0.08     0.03   0.09  -0.03
    35   6    -0.04  -0.04   0.04    -0.08  -0.01   0.06    -0.07  -0.02   0.05
    36   6     0.13  -0.00   0.02    -0.03  -0.05   0.04     0.02  -0.00   0.09
    37   6     0.08   0.03  -0.10    -0.04  -0.04  -0.00    -0.04  -0.00  -0.10
    38   6     0.04   0.02  -0.08    -0.06  -0.02  -0.06     0.02  -0.03   0.00
    39   6     0.08   0.01  -0.05    -0.09  -0.03  -0.06     0.07  -0.03   0.07
    40   6     0.10  -0.00  -0.02    -0.01  -0.06   0.10    -0.02   0.04  -0.10
    41   7     0.04   0.06   0.18     0.01   0.04   0.08    -0.02  -0.02  -0.11
    42   7    -0.01  -0.01   0.05    -0.05   0.03   0.13    -0.00   0.01   0.03
    43   7     0.02   0.05   0.03    -0.02   0.06   0.07     0.01   0.02   0.04
    44   6    -0.02  -0.00   0.01    -0.02   0.01   0.06     0.00  -0.01   0.02
    45   6    -0.01  -0.00  -0.02     0.01  -0.01  -0.01     0.01  -0.01   0.00
    46   6     0.00   0.01  -0.02    -0.01  -0.00  -0.02    -0.00   0.01   0.00
    47   6     0.00   0.01   0.01    -0.03   0.01   0.04    -0.01   0.01   0.01
    48   6     0.02   0.02   0.06     0.02   0.01   0.03    -0.00  -0.01  -0.04
    49   6     0.00  -0.01  -0.04     0.01  -0.01  -0.02     0.00   0.00   0.01
    50   6    -0.00  -0.02  -0.03    -0.01  -0.02  -0.00    -0.01  -0.00   0.01
    51   6     0.02   0.02   0.07     0.00   0.01   0.04    -0.02  -0.01  -0.04
    52   6    -0.00   0.01   0.03     0.01   0.03   0.01    -0.00   0.00   0.01
    53   6    -0.01  -0.03   0.02     0.01   0.00  -0.02    -0.00  -0.01  -0.01
    54   6    -0.04  -0.01  -0.01     0.01  -0.01   0.00     0.00   0.01  -0.01
    55   6    -0.02   0.01   0.01     0.00   0.02   0.04     0.01   0.02   0.01
    56   6    -0.01   0.02  -0.01     0.00   0.02  -0.05     0.00   0.03  -0.02
    57   6    -0.03   0.02  -0.00    -0.04   0.04   0.03    -0.02   0.03  -0.00
    58   6    -0.02   0.02  -0.02    -0.01   0.03  -0.02    -0.02   0.03  -0.01
    59   6    -0.02   0.01  -0.02    -0.01  -0.00  -0.04    -0.02   0.01  -0.02
    60   6    -0.00  -0.00  -0.01     0.01  -0.04  -0.04    -0.00  -0.04  -0.01
    61   6     0.01  -0.01  -0.00    -0.00  -0.04  -0.00    -0.00  -0.04   0.01
    62   6     0.00  -0.01   0.02    -0.03  -0.03   0.05    -0.01  -0.04   0.02
    63   6     0.00  -0.02  -0.00     0.03  -0.03  -0.03     0.02  -0.02  -0.00
    64   6    -0.02  -0.02  -0.03    -0.04  -0.04  -0.01    -0.01  -0.00   0.04
    65   6     0.01   0.01   0.07    -0.01  -0.04   0.05    -0.02  -0.04  -0.03
    66   6    -0.01  -0.02  -0.01    -0.02  -0.05   0.02    -0.00  -0.03   0.02
    67   6    -0.01  -0.02  -0.04    -0.01  -0.05  -0.02     0.01  -0.02   0.04
    68   6     0.01  -0.02  -0.04     0.03  -0.01  -0.03     0.02   0.01   0.03
    69   6     0.01   0.00  -0.03     0.04   0.02  -0.02     0.01   0.02  -0.00
    70   6     0.04   0.03   0.05     0.05   0.04   0.01    -0.00   0.00  -0.04
    71   6     0.01   0.00  -0.04     0.02   0.02  -0.04     0.01   0.02   0.03
    72   6    -0.04   0.04  -0.04     0.02  -0.05   0.00    -0.00   0.01  -0.02
    73   6    -0.05   0.06  -0.03     0.05  -0.01   0.05    -0.02   0.02   0.00
    74   6    -0.04   0.03  -0.04     0.05  -0.03   0.02    -0.03   0.01  -0.01
    75   6    -0.05  -0.00  -0.01     0.04  -0.04  -0.01    -0.02   0.01  -0.02
    76   6    -0.03  -0.06   0.02     0.02   0.01  -0.04    -0.00  -0.02   0.00
    77   6     0.01  -0.06   0.05    -0.01   0.03  -0.04     0.01  -0.02   0.01
    78   6     0.01  -0.05   0.08    -0.02   0.06  -0.01     0.01  -0.00   0.02
    79   6     0.02  -0.07   0.02    -0.02   0.02  -0.04     0.01  -0.01  -0.00
    80   8    -0.05   0.05  -0.00     0.05  -0.02  -0.04    -0.02   0.00  -0.03
    81  15    -0.04   0.00   0.00     0.06  -0.02   0.01     0.00   0.01   0.01
    82   8     0.03   0.03  -0.07    -0.01  -0.00   0.08     0.03   0.01  -0.02
    83   8     0.08   0.03   0.02    -0.12  -0.03  -0.06     0.00   0.01   0.01
    84   6     0.03  -0.05  -0.04    -0.05   0.07   0.05    -0.00  -0.01  -0.02
    85   6     0.00   0.01   0.03    -0.01  -0.01  -0.04    -0.01  -0.00  -0.01
    86   6     0.01   0.02  -0.03    -0.01   0.01   0.03     0.00  -0.01  -0.01
    87   6    -0.00  -0.02  -0.00    -0.00   0.04   0.01     0.00  -0.01  -0.00
    88   1     0.08   0.07  -0.03     0.03   0.03  -0.05     0.03  -0.01   0.18
    89   1     0.06   0.06  -0.07     0.05  -0.10  -0.03     0.01   0.04   0.14
    90   1     0.05   0.11  -0.08     0.12  -0.04  -0.01     0.00  -0.00   0.01
    91   1     0.00  -0.07   0.06    -0.02   0.10  -0.04    -0.04   0.01   0.08
    92   1    -0.06  -0.11  -0.06    -0.09   0.08  -0.03    -0.04   0.01  -0.08
    93   1    -0.00  -0.11  -0.03    -0.07  -0.01   0.01    -0.07  -0.06   0.10
    94   1     0.01   0.05   0.07     0.07   0.02  -0.02    -0.06  -0.06  -0.12
    95   1    -0.10   0.00  -0.06     0.04   0.09  -0.08    -0.03  -0.01   0.05
    96   1    -0.11   0.05   0.09    -0.03   0.07  -0.05    -0.03  -0.07  -0.13
    97   1     0.05   0.12  -0.03     0.06  -0.06   0.09     0.03   0.11  -0.12
    98   1     0.10  -0.04   0.04     0.08   0.01  -0.06     0.02  -0.12   0.14
    99   1     0.01  -0.02  -0.05     0.06   0.03  -0.10     0.03   0.14  -0.16
   100   1    -0.04   0.03  -0.01     0.03  -0.11   0.11     0.02  -0.16   0.19
   101   1    -0.09   0.00   0.06    -0.07   0.02   0.02     0.09   0.01  -0.19
   102   1    -0.07   0.01  -0.11    -0.07   0.01  -0.02     0.01  -0.07   0.23
   103   1    -0.02  -0.03  -0.11    -0.03   0.05  -0.10     0.04   0.17  -0.09
   104   1    -0.03  -0.05   0.06    -0.11  -0.04   0.11    -0.15  -0.05   0.13
   105   1     0.17  -0.02   0.07    -0.04  -0.05   0.04     0.04  -0.01   0.18
   106   1     0.08   0.05  -0.13    -0.03  -0.06   0.03    -0.11  -0.01  -0.19
   107   1     0.09   0.01  -0.03    -0.10  -0.03  -0.10     0.14  -0.06   0.15
   108   1     0.10   0.00  -0.02     0.02  -0.08   0.18    -0.05   0.09  -0.22
   109   1    -0.00   0.02  -0.01     0.02   0.03  -0.09     0.01   0.03  -0.04
   110   1    -0.04   0.02   0.01    -0.06   0.04   0.07    -0.03   0.02   0.00
   111   1    -0.01   0.02  -0.03     0.02   0.02  -0.04    -0.01   0.03  -0.02
   112   1    -0.03   0.02  -0.02     0.02  -0.02  -0.10    -0.01   0.01  -0.05
   113   1    -0.00   0.01  -0.02     0.04  -0.06  -0.11     0.01  -0.06  -0.02
   114   1     0.03  -0.01  -0.01     0.02  -0.04  -0.03     0.00  -0.04   0.01
   115   1    -0.00  -0.01   0.04    -0.06  -0.02   0.09    -0.02  -0.03   0.02
   116   1     0.01  -0.04  -0.00     0.06  -0.04  -0.09     0.03  -0.03  -0.02
   117   1    -0.03  -0.04  -0.08    -0.05  -0.05  -0.06     0.01   0.02   0.08
   118   1     0.03   0.03   0.12     0.01  -0.03   0.07    -0.01  -0.05  -0.06
   119   1    -0.03  -0.03  -0.05    -0.03  -0.04  -0.00    -0.00  -0.02   0.04
   120   1    -0.03  -0.04  -0.10    -0.02  -0.08  -0.06     0.01  -0.01   0.10
   121   1    -0.01  -0.04  -0.10     0.02  -0.02  -0.06     0.03   0.03   0.07
   122   1    -0.01  -0.01  -0.06     0.01   0.03  -0.04     0.01   0.03   0.02
   123   1     0.05   0.05   0.11     0.05   0.04   0.03    -0.01  -0.02  -0.07
   124   1     0.00  -0.01  -0.08     0.03   0.02  -0.06     0.03   0.04   0.06
   125   1    -0.06   0.05  -0.06     0.01  -0.09  -0.03     0.00  -0.01  -0.03
   126   1    -0.05   0.07  -0.01     0.06   0.02   0.06    -0.03   0.02   0.02
   127   1    -0.01   0.03  -0.05     0.03  -0.05   0.01    -0.02   0.00  -0.02
   128   1    -0.04  -0.02  -0.01     0.05  -0.08  -0.05    -0.04  -0.00  -0.04
   129   1    -0.03  -0.09  -0.01     0.02  -0.02  -0.06    -0.00  -0.02  -0.00
   130   1     0.03  -0.05   0.03    -0.03   0.01  -0.04     0.01  -0.02   0.00
   131   1    -0.00  -0.03   0.09    -0.00   0.08   0.01     0.00   0.01   0.03
   132   1     0.02  -0.10   0.01    -0.03   0.01  -0.08     0.01  -0.02  -0.00
   133   1    -0.00  -0.04   0.01    -0.02   0.06   0.01    -0.02  -0.01  -0.00
   134   1     0.04  -0.09  -0.05    -0.05   0.10   0.05    -0.00  -0.03  -0.03
   135   1    -0.08   0.09  -0.02     0.12  -0.11   0.03    -0.01   0.01  -0.02
   136   1     0.02   0.03   0.12    -0.04  -0.04  -0.16    -0.01   0.00   0.00
   137   1     0.03   0.01   0.09    -0.05  -0.02  -0.13    -0.01  -0.01  -0.01
   138   1    -0.03  -0.03   0.01     0.03   0.09  -0.01     0.00  -0.02  -0.00
   139   1    -0.02   0.05  -0.07     0.02  -0.03   0.08     0.00  -0.01  -0.01
   140   1    -0.01  -0.04  -0.02     0.00   0.07   0.04     0.00  -0.02  -0.01
   141   1     0.01   0.00   0.06    -0.02   0.02  -0.06     0.00  -0.01   0.01
   142   1    -0.01  -0.07   0.01     0.01   0.11  -0.00     0.00  -0.03  -0.00
   143  17     0.02   0.01  -0.00    -0.00   0.01  -0.01     0.01  -0.01   0.01
                     79                     80                     81
                      A                      A                      A
 Frequencies --    425.7274               426.4528               427.8234
 Red. masses --      3.3505                 3.1801                 4.0215
 Frc consts  --      0.3578                 0.3407                 0.4337
 IR Inten    --      2.7927                 0.6257                 0.7811
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.01     0.00   0.01  -0.00    -0.00  -0.00   0.01
     2   6    -0.02   0.00   0.01     0.00   0.01  -0.00    -0.03  -0.00  -0.06
     3   6    -0.01   0.01  -0.01     0.00   0.00   0.01    -0.03  -0.00   0.01
     4   6    -0.01   0.02   0.01     0.00  -0.00   0.01    -0.02  -0.00   0.06
     5   6    -0.02   0.03   0.01     0.00  -0.00  -0.01    -0.02  -0.02   0.00
     6   6    -0.03   0.02  -0.02     0.00   0.00   0.00    -0.01  -0.01  -0.03
     7   6    -0.00   0.00  -0.03     0.00   0.00   0.01    -0.01   0.00  -0.00
     8   6    -0.00  -0.01  -0.03     0.00  -0.01   0.00     0.01   0.02   0.00
     9   6    -0.01  -0.00  -0.01     0.01  -0.01  -0.01     0.01   0.01   0.02
    10   6    -0.01   0.01   0.00    -0.00  -0.01  -0.00    -0.00   0.02   0.03
    11   6    -0.02  -0.00   0.01     0.00   0.01  -0.00     0.00  -0.02  -0.02
    12   6    -0.01   0.00  -0.01    -0.00   0.01  -0.01     0.00  -0.02   0.01
    13   6    -0.02  -0.01  -0.01    -0.01   0.01  -0.01     0.02  -0.00   0.02
    14   6    -0.02  -0.02   0.01    -0.01  -0.00  -0.00     0.02   0.02  -0.01
    15   7     0.01   0.01   0.02     0.01  -0.01  -0.00     0.01  -0.01  -0.04
    16   6     0.01  -0.00   0.01     0.01   0.01   0.00     0.00   0.00  -0.05
    17   6    -0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00   0.01  -0.03
    18   7    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.02   0.01  -0.04
    19   6     0.01  -0.01   0.00     0.00   0.00  -0.00     0.00   0.01   0.01
    20   6     0.01  -0.02  -0.00    -0.00  -0.00  -0.01     0.01  -0.02   0.02
    21   6     0.01  -0.01   0.01    -0.01   0.00  -0.00     0.01  -0.02   0.02
    22   6     0.00  -0.01  -0.00    -0.00   0.01   0.01     0.03   0.02   0.07
    23   6     0.01   0.00   0.01    -0.01  -0.00  -0.00     0.02   0.01   0.06
    24   6     0.01  -0.00  -0.00     0.00  -0.01   0.01    -0.01   0.01  -0.00
    25   6     0.00   0.01   0.01    -0.01  -0.01   0.00    -0.02  -0.02  -0.05
    26   6     0.01   0.09  -0.11     0.00  -0.05   0.05    -0.01   0.08  -0.09
    27   6     0.00  -0.09   0.12     0.01   0.04  -0.05    -0.01  -0.07   0.08
    28   6     0.01   0.01   0.00     0.01   0.01  -0.02    -0.01  -0.02   0.02
    29   6     0.01   0.11  -0.11     0.01  -0.03   0.03    -0.02   0.05  -0.07
    30   6     0.01  -0.10   0.12     0.01   0.03  -0.03    -0.02  -0.05   0.05
    31   6    -0.03  -0.05   0.11    -0.05  -0.05   0.10     0.03   0.06  -0.05
    32   6     0.05   0.04  -0.11     0.04   0.05  -0.10    -0.06  -0.05   0.02
    33   6     0.00  -0.02   0.01     0.00   0.01  -0.01    -0.02  -0.05  -0.04
    34   6    -0.03  -0.08   0.11    -0.05  -0.04   0.10     0.05  -0.02  -0.12
    35   6     0.08   0.05  -0.12     0.03   0.05  -0.10     0.02  -0.05   0.10
    36   6    -0.03   0.02  -0.04     0.06  -0.03   0.15     0.04  -0.02   0.03
    37   6     0.02  -0.02   0.04    -0.07   0.03  -0.15    -0.02   0.06  -0.03
    38   6     0.01  -0.01   0.00    -0.01   0.00   0.00    -0.00   0.04   0.05
    39   6    -0.01   0.00  -0.05     0.06  -0.03   0.15     0.01   0.02   0.13
    40   6     0.02   0.00   0.04    -0.08   0.02  -0.15    -0.07  -0.00  -0.10
    41   7     0.01  -0.01   0.01     0.00   0.00  -0.00     0.02   0.02   0.10
    42   7     0.01   0.00  -0.00    -0.01   0.00   0.02     0.00  -0.01  -0.01
    43   7     0.00   0.01   0.02    -0.00  -0.00  -0.00    -0.01  -0.07  -0.09
    44   6     0.01  -0.01  -0.00    -0.01   0.00   0.01     0.00  -0.00  -0.02
    45   6     0.01  -0.01   0.00    -0.00   0.00   0.00     0.00   0.00  -0.01
    46   6    -0.00   0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    47   6    -0.00   0.01   0.00    -0.01  -0.00   0.00     0.01   0.00   0.00
    48   6    -0.01  -0.01   0.00    -0.00  -0.01  -0.01     0.01   0.02   0.06
    49   6    -0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.01   0.01
    50   6     0.01   0.00  -0.00     0.00  -0.00   0.01     0.01   0.01  -0.01
    51   6     0.02   0.01   0.00     0.01   0.00   0.01     0.02   0.01   0.04
    52   6    -0.00   0.01   0.01     0.01  -0.01  -0.01     0.00  -0.04  -0.05
    53   6    -0.01   0.00  -0.00     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    54   6    -0.00  -0.00  -0.00     0.01   0.01   0.00     0.00  -0.00  -0.00
    55   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.03  -0.04
    56   6     0.00   0.02  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.01
    57   6    -0.01   0.02  -0.01    -0.00   0.00   0.01     0.00  -0.01  -0.00
    58   6    -0.02   0.03  -0.01     0.00  -0.00   0.00     0.00  -0.01  -0.00
    59   6    -0.02   0.02  -0.01     0.00  -0.01  -0.01     0.00   0.00   0.01
    60   6    -0.00  -0.03   0.00     0.00  -0.00  -0.01    -0.00   0.01   0.01
    61   6    -0.00  -0.04   0.01    -0.00   0.00   0.00     0.01   0.01  -0.01
    62   6     0.00  -0.03   0.00    -0.01   0.00   0.01     0.01   0.01  -0.01
    63   6     0.01  -0.02   0.01     0.00  -0.00  -0.01    -0.01   0.01   0.01
    64   6     0.03   0.01  -0.01     0.00  -0.00  -0.01     0.00   0.00  -0.04
    65   6     0.01   0.04  -0.01     0.00   0.00   0.00     0.01   0.04   0.03
    66   6     0.01   0.04  -0.02     0.00   0.00   0.00    -0.00   0.03  -0.01
    67   6     0.01   0.04  -0.01     0.00   0.00  -0.01    -0.01   0.01  -0.04
    68   6    -0.03  -0.01   0.01    -0.00  -0.00   0.00    -0.01  -0.01  -0.04
    69   6    -0.03  -0.02   0.01    -0.01  -0.00   0.00    -0.00  -0.01   0.01
    70   6    -0.03  -0.02   0.02    -0.00  -0.00  -0.00     0.01   0.01   0.04
    71   6    -0.01  -0.03   0.01     0.00  -0.00   0.00    -0.02  -0.02  -0.04
    72   6    -0.00  -0.00  -0.00     0.01   0.00  -0.01     0.01   0.03   0.04
    73   6    -0.00   0.00   0.01    -0.00   0.01  -0.00     0.01  -0.03  -0.03
    74   6    -0.00  -0.00   0.00    -0.00   0.01  -0.00     0.00  -0.00  -0.01
    75   6     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.01   0.03   0.03
    76   6    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00   0.03   0.04
    77   6     0.00   0.01  -0.01     0.00  -0.01   0.01    -0.00  -0.01  -0.00
    78   6     0.00   0.01   0.00     0.00  -0.01   0.00    -0.00  -0.04  -0.03
    79   6    -0.00  -0.00  -0.01     0.01   0.01   0.01     0.01   0.04   0.04
    80   8     0.01  -0.01  -0.02     0.02  -0.00  -0.01     0.05  -0.02  -0.01
    81  15     0.02   0.00   0.00     0.02  -0.00   0.00     0.04  -0.01  -0.01
    82   8     0.01   0.00   0.01    -0.00  -0.00   0.02    -0.02  -0.01   0.06
    83   8    -0.03  -0.01  -0.01    -0.03  -0.01  -0.02    -0.06  -0.03  -0.03
    84   6    -0.01   0.01   0.01    -0.01   0.02   0.02    -0.03   0.05   0.04
    85   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01     0.00  -0.01  -0.02
    86   6    -0.00  -0.01   0.01    -0.00   0.00   0.01    -0.01  -0.01   0.02
    87   6     0.00   0.00  -0.00    -0.00   0.01   0.00    -0.00   0.03   0.00
    88   1    -0.02   0.01   0.02    -0.00   0.01  -0.02    -0.03  -0.00  -0.11
    89   1    -0.02   0.03   0.01     0.00  -0.01  -0.02    -0.02  -0.03  -0.03
    90   1    -0.05   0.02  -0.05     0.00   0.00   0.01    -0.01  -0.02  -0.07
    91   1    -0.04  -0.01   0.05     0.01   0.02  -0.00     0.00  -0.03  -0.03
    92   1    -0.03  -0.01  -0.01    -0.02   0.01  -0.00     0.03  -0.01   0.04
    93   1    -0.04  -0.03   0.06    -0.01  -0.01  -0.00     0.04   0.04  -0.02
    94   1     0.01  -0.01  -0.00    -0.00  -0.00  -0.01    -0.02   0.02   0.04
    95   1     0.01  -0.02  -0.02    -0.01  -0.01  -0.01     0.01  -0.03   0.03
    96   1     0.01  -0.02  -0.01    -0.01   0.01   0.01     0.07   0.04   0.11
    97   1     0.01   0.20  -0.23     0.00  -0.10   0.11    -0.01   0.16  -0.17
    98   1    -0.01  -0.20   0.23     0.01   0.08  -0.10    -0.01  -0.13   0.15
    99   1     0.01   0.21  -0.22     0.01  -0.08   0.08    -0.02   0.11  -0.14
   100   1     0.02  -0.21   0.25     0.01   0.06  -0.07    -0.03  -0.10   0.12
   101   1    -0.08  -0.10   0.23    -0.10  -0.11   0.22     0.05   0.15  -0.12
   102   1     0.09   0.10  -0.23     0.09   0.10  -0.20    -0.15  -0.07   0.08
   103   1    -0.08  -0.14   0.22    -0.10  -0.09   0.20     0.11  -0.04  -0.22
   104   1     0.15   0.11  -0.25     0.07   0.10  -0.20     0.04  -0.10   0.19
   105   1    -0.07   0.03  -0.09     0.14  -0.07   0.32     0.11  -0.04   0.07
   106   1     0.03  -0.04   0.08    -0.14   0.07  -0.30    -0.02   0.12  -0.11
   107   1    -0.02   0.01  -0.10     0.12  -0.07   0.31    -0.00   0.01   0.22
   108   1     0.05   0.00   0.08    -0.15   0.06  -0.31    -0.14  -0.02  -0.18
   109   1     0.01   0.02  -0.01     0.00  -0.00  -0.02     0.01  -0.01   0.01
   110   1    -0.02   0.01  -0.02    -0.00   0.00   0.01     0.01  -0.01  -0.01
   111   1    -0.01   0.03  -0.01     0.00  -0.00   0.00     0.00  -0.01  -0.01
   112   1    -0.02   0.02  -0.03     0.01  -0.01  -0.01    -0.00   0.01   0.00
   113   1    -0.01  -0.04   0.02     0.01  -0.00  -0.03    -0.02   0.02   0.04
   114   1     0.00  -0.03   0.01    -0.00   0.00  -0.00     0.00   0.01  -0.00
   115   1    -0.01  -0.02  -0.00    -0.01   0.00   0.01     0.01   0.01  -0.01
   116   1     0.01  -0.01   0.02     0.01  -0.00  -0.03    -0.02   0.01   0.04
   117   1     0.02   0.01  -0.01    -0.00  -0.01  -0.02    -0.01  -0.02  -0.08
   118   1    -0.01   0.04  -0.01    -0.00  -0.00  -0.00     0.01   0.05   0.06
   119   1     0.02   0.03  -0.02     0.00   0.00  -0.00    -0.00   0.02  -0.02
   120   1     0.01   0.05  -0.03    -0.00  -0.00  -0.03    -0.02   0.00  -0.09
   121   1    -0.03  -0.01   0.02    -0.01  -0.00   0.02    -0.03  -0.04  -0.13
   122   1    -0.03  -0.03   0.01    -0.01  -0.00   0.01    -0.00  -0.02  -0.02
   123   1    -0.03  -0.00   0.02    -0.00   0.00   0.00     0.02   0.01   0.07
   124   1    -0.01  -0.03   0.02     0.01   0.00   0.02    -0.05  -0.05  -0.12
   125   1     0.00  -0.01  -0.00     0.00  -0.01  -0.02     0.01   0.08   0.09
   126   1    -0.00   0.01   0.01    -0.00  -0.00  -0.00     0.00  -0.05  -0.05
   127   1    -0.00  -0.01  -0.00    -0.01   0.00  -0.01     0.00   0.01   0.01
   128   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03     0.01   0.08   0.08
   129   1    -0.00  -0.00  -0.02     0.01   0.01   0.04     0.01   0.09   0.12
   130   1     0.00   0.00  -0.01     0.00  -0.01   0.01    -0.00   0.00   0.01
   131   1     0.01   0.01   0.01    -0.00  -0.00   0.00    -0.01  -0.05  -0.05
   132   1    -0.00  -0.01  -0.01     0.01   0.02   0.02     0.01   0.10   0.11
   133   1    -0.01   0.01   0.00    -0.00   0.02   0.00     0.01   0.04   0.01
   134   1    -0.01   0.01   0.00    -0.02   0.03   0.02    -0.03   0.08   0.05
   135   1     0.03  -0.02   0.00     0.04  -0.03   0.01     0.08  -0.07   0.03
   136   1    -0.01  -0.01  -0.04    -0.01  -0.01  -0.05    -0.01  -0.02  -0.10
   137   1    -0.01  -0.01  -0.03    -0.01  -0.01  -0.04    -0.02  -0.01  -0.07
   138   1     0.01   0.01  -0.00     0.01   0.02  -0.00     0.02   0.04   0.00
   139   1     0.01  -0.02   0.02     0.00  -0.01   0.02     0.01  -0.02   0.06
   140   1     0.00   0.01   0.01     0.00   0.02   0.01    -0.00   0.06   0.02
   141   1    -0.00  -0.00  -0.02    -0.00   0.00  -0.02    -0.01   0.00  -0.05
   142   1     0.00   0.02  -0.00     0.00   0.03   0.00     0.00   0.08   0.00
   143  17     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --    430.1056               431.3385               434.3039
 Red. masses --      4.3801                 4.6642                 3.8914
 Frc consts  --      0.4774                 0.5113                 0.4325
 IR Inten    --      4.4014                 0.9412                 1.5385
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.00    -0.01   0.01  -0.00    -0.03  -0.01   0.03
     2   6     0.04  -0.01   0.03    -0.02   0.01   0.04    -0.02  -0.02  -0.03
     3   6     0.04  -0.01  -0.01    -0.02   0.01  -0.06     0.01   0.01  -0.00
     4   6     0.03   0.02  -0.04    -0.03   0.04  -0.00    -0.01   0.05   0.01
     5   6     0.02   0.03  -0.01    -0.03   0.06   0.06    -0.04   0.06  -0.03
     6   6     0.00   0.02   0.02    -0.04   0.04  -0.06    -0.06   0.03   0.01
     7   6     0.04  -0.02   0.00    -0.01  -0.00  -0.08     0.03  -0.00   0.00
     8   6    -0.01  -0.05   0.07    -0.01  -0.02  -0.07     0.01  -0.02   0.03
     9   6    -0.02  -0.00   0.04    -0.02  -0.01  -0.02     0.00  -0.01   0.00
    10   6    -0.00   0.00  -0.01    -0.03   0.02  -0.01    -0.01   0.02   0.01
    11   6     0.04  -0.01  -0.03    -0.06  -0.01   0.07     0.03  -0.01   0.00
    12   6     0.00  -0.00  -0.00    -0.01   0.00  -0.01     0.01   0.00  -0.02
    13   6     0.01  -0.02  -0.08    -0.03  -0.02  -0.06     0.02  -0.01  -0.05
    14   6    -0.01  -0.06   0.03    -0.06  -0.05   0.03    -0.01  -0.03   0.04
    15   7    -0.02  -0.00  -0.02     0.02   0.04   0.06    -0.00  -0.03  -0.04
    16   6    -0.05   0.00  -0.06     0.00   0.01   0.03     0.01  -0.03  -0.01
    17   6    -0.01   0.02  -0.01    -0.01  -0.00   0.01    -0.01  -0.03  -0.02
    18   7    -0.01   0.02  -0.00    -0.02   0.00  -0.01    -0.01  -0.01  -0.00
    19   6    -0.06   0.01  -0.02    -0.02  -0.03  -0.01     0.04   0.01   0.05
    20   6    -0.02   0.01   0.08     0.01  -0.04   0.03     0.01  -0.00  -0.05
    21   6     0.01  -0.01   0.02     0.01  -0.03   0.04    -0.01   0.01  -0.03
    22   6     0.01   0.01   0.03     0.00  -0.05  -0.01    -0.01   0.02   0.03
    23   6    -0.01   0.00  -0.03     0.02   0.01   0.02     0.02   0.02   0.01
    24   6    -0.03   0.01   0.07     0.02  -0.00  -0.01    -0.01   0.01   0.02
    25   6    -0.00  -0.03  -0.06    -0.00   0.03   0.00     0.00  -0.01   0.01
    26   6     0.02   0.01   0.06     0.03  -0.08   0.09    -0.00   0.01   0.03
    27   6     0.06  -0.00  -0.06     0.03   0.09  -0.06     0.02  -0.01  -0.01
    28   6     0.04  -0.04  -0.06     0.03   0.04   0.01     0.01  -0.01  -0.03
    29   6     0.00  -0.04  -0.07     0.04  -0.04   0.11    -0.01  -0.02  -0.03
    30   6    -0.05   0.00   0.02     0.05   0.08  -0.06    -0.03  -0.01   0.01
    31   6    -0.02  -0.02   0.01     0.04   0.02  -0.02     0.05   0.05  -0.05
    32   6     0.02   0.03  -0.00     0.00  -0.03   0.02    -0.01  -0.03   0.04
    33   6    -0.00   0.03   0.03     0.01  -0.04  -0.00    -0.00  -0.05   0.03
    34   6    -0.03   0.02   0.06     0.04  -0.03  -0.04     0.04  -0.02  -0.03
    35   6    -0.01   0.04  -0.05     0.03  -0.03   0.03     0.04  -0.02   0.01
    36   6     0.01   0.01  -0.11    -0.03   0.04  -0.05     0.02  -0.02   0.04
    37   6     0.07   0.06   0.09     0.02  -0.01   0.04    -0.01  -0.00  -0.03
    38   6     0.02   0.06   0.05     0.04  -0.02   0.03    -0.02   0.00  -0.03
    39   6    -0.02   0.06   0.00     0.03   0.00  -0.03    -0.00  -0.01   0.01
    40   6     0.00  -0.03   0.01     0.02   0.03  -0.01    -0.00  -0.01   0.01
    41   7    -0.02  -0.01  -0.05     0.02  -0.01   0.03     0.01  -0.02   0.01
    42   7    -0.05   0.00   0.12     0.03   0.01  -0.01    -0.02  -0.00   0.03
    43   7     0.00  -0.07  -0.10     0.02  -0.00   0.01    -0.01   0.01   0.01
    44   6    -0.04   0.01   0.06     0.01  -0.02   0.03    -0.03   0.02   0.04
    45   6    -0.02   0.01   0.02     0.01  -0.01   0.02    -0.04   0.02   0.07
    46   6    -0.01   0.01   0.02     0.01   0.01  -0.02    -0.04   0.01   0.08
    47   6    -0.02   0.01   0.07     0.01   0.02  -0.04    -0.03   0.00   0.06
    48   6    -0.01  -0.01  -0.04    -0.00  -0.01   0.04    -0.01  -0.02   0.02
    49   6    -0.00  -0.00  -0.02     0.00  -0.01   0.02    -0.01  -0.03  -0.03
    50   6    -0.01  -0.01  -0.00     0.02   0.00  -0.01     0.02  -0.02  -0.07
    51   6    -0.02  -0.01  -0.02     0.03   0.01  -0.01     0.03  -0.01  -0.05
    52   6     0.01  -0.05  -0.04     0.00  -0.01   0.01     0.00   0.02   0.02
    53   6     0.01  -0.02  -0.01    -0.00  -0.01  -0.00     0.00   0.04   0.04
    54   6    -0.00  -0.02  -0.03     0.00   0.00  -0.03    -0.00   0.04   0.06
    55   6    -0.01  -0.05  -0.07     0.01   0.00  -0.03    -0.00   0.02   0.04
    56   6     0.03  -0.01  -0.07    -0.01   0.06   0.02     0.04  -0.03  -0.09
    57   6    -0.03   0.01   0.04    -0.03   0.05  -0.04    -0.01  -0.01   0.04
    58   6    -0.02   0.00   0.01    -0.04   0.06  -0.04    -0.01  -0.01   0.07
    59   6     0.02  -0.01  -0.07    -0.05   0.04  -0.01     0.05  -0.03  -0.08
    60   6     0.03  -0.00  -0.06    -0.01  -0.07   0.00     0.05   0.01  -0.09
    61   6     0.00   0.02   0.02    -0.01  -0.09   0.02    -0.02   0.04   0.05
    62   6    -0.01   0.02   0.05    -0.01  -0.08   0.01    -0.01   0.03   0.02
    63   6     0.03  -0.00  -0.07     0.04  -0.04   0.01     0.03  -0.00  -0.09
    64   6    -0.01  -0.00   0.03     0.05   0.02  -0.02     0.07   0.04   0.04
    65   6    -0.01  -0.04  -0.01     0.02   0.07  -0.02     0.02   0.07  -0.05
    66   6    -0.01  -0.04   0.01     0.02   0.08  -0.03     0.02   0.08  -0.08
    67   6     0.00  -0.02   0.03     0.01   0.07  -0.03     0.04   0.10   0.03
    68   6     0.03   0.02   0.03    -0.06  -0.03  -0.00    -0.06  -0.01   0.06
    69   6     0.02   0.01  -0.02    -0.06  -0.04   0.04    -0.08  -0.06   0.01
    70   6     0.01   0.01  -0.04    -0.05  -0.03   0.04    -0.05  -0.04   0.03
    71   6     0.02   0.03   0.03    -0.02  -0.05  -0.01    -0.00  -0.04   0.05
    72   6     0.00   0.08   0.05    -0.00   0.04  -0.01    -0.00  -0.06  -0.04
    73   6    -0.02  -0.02  -0.06    -0.04   0.02  -0.02     0.02   0.01   0.02
    74   6    -0.02   0.01  -0.04    -0.04   0.02  -0.03     0.02   0.02   0.04
    75   6    -0.02   0.07   0.05    -0.04   0.03  -0.00     0.01  -0.06  -0.05
    76   6    -0.00   0.02   0.08    -0.00  -0.02   0.02    -0.00  -0.03  -0.06
    77   6     0.00  -0.05   0.02     0.01  -0.03   0.02    -0.00   0.04   0.02
    78   6     0.00  -0.07  -0.01     0.01  -0.02   0.02    -0.00   0.02   0.00
    79   6     0.02   0.03   0.07     0.02  -0.01   0.01    -0.01  -0.04  -0.05
    80   8     0.02  -0.00  -0.01     0.05  -0.02  -0.07     0.00   0.01   0.02
    81  15     0.02  -0.00  -0.01     0.07   0.00   0.01    -0.01  -0.01  -0.01
    82   8    -0.01  -0.01   0.03     0.02  -0.00   0.06    -0.02  -0.00  -0.00
    83   8    -0.03  -0.01  -0.02    -0.10  -0.04  -0.03     0.01   0.00  -0.01
    84   6    -0.01   0.02   0.02    -0.05   0.06   0.04     0.01  -0.00   0.00
    85   6     0.00  -0.00  -0.01    -0.01  -0.01  -0.05     0.01   0.00   0.01
    86   6    -0.00  -0.00   0.01    -0.01  -0.02   0.03    -0.00   0.00   0.00
    87   6    -0.00   0.01   0.00     0.00   0.02   0.00    -0.00   0.01   0.00
    88   1     0.04  -0.02   0.06    -0.02   0.03   0.11    -0.02  -0.04  -0.06
    89   1     0.01   0.04   0.00    -0.03   0.07   0.13    -0.05   0.09  -0.07
    90   1    -0.01   0.02   0.04    -0.07   0.03  -0.12    -0.10   0.04  -0.00
    91   1     0.06   0.01  -0.04    -0.11  -0.02   0.18     0.03  -0.00   0.02
    92   1     0.01  -0.01  -0.14    -0.05  -0.02  -0.07     0.02  -0.00  -0.08
    93   1    -0.03  -0.07   0.05    -0.11  -0.08   0.15    -0.03  -0.04   0.07
    94   1    -0.09  -0.00  -0.04    -0.06  -0.05  -0.07     0.08   0.05   0.12
    95   1    -0.03   0.01   0.14    -0.01  -0.07   0.02     0.02   0.01  -0.07
    96   1     0.03   0.01   0.03     0.02  -0.07  -0.05    -0.01   0.06   0.10
    97   1     0.05   0.05   0.11     0.03  -0.17   0.18     0.01   0.02   0.04
    98   1     0.14   0.00  -0.07     0.01   0.16  -0.14     0.05  -0.01  -0.02
    99   1    -0.04  -0.10  -0.10     0.05  -0.10   0.20    -0.02  -0.03  -0.05
   100   1    -0.12   0.01   0.01     0.08   0.14  -0.14    -0.06  -0.01   0.02
   101   1    -0.02  -0.05   0.03     0.05   0.04  -0.05     0.07   0.09  -0.11
   102   1     0.06   0.04  -0.02    -0.04  -0.04   0.04    -0.05  -0.04   0.07
   103   1    -0.05   0.03   0.10     0.06  -0.03  -0.08     0.06  -0.01  -0.08
   104   1    -0.02   0.06  -0.09     0.06  -0.05   0.06     0.07  -0.03   0.03
   105   1     0.04   0.02  -0.21    -0.07   0.05  -0.10     0.03  -0.02   0.08
   106   1     0.14   0.10   0.13     0.02  -0.04   0.06    -0.02   0.00  -0.04
   107   1    -0.10   0.09  -0.02     0.03   0.01  -0.08     0.01  -0.02   0.03
   108   1    -0.01  -0.07   0.05     0.05   0.05  -0.01    -0.01  -0.01   0.01
   109   1     0.08  -0.04  -0.16    -0.04   0.07   0.07     0.11  -0.06  -0.25
   110   1    -0.05   0.01   0.07    -0.04   0.02  -0.04     0.00   0.00   0.03
   111   1    -0.01  -0.00  -0.00    -0.03   0.07  -0.02    -0.02  -0.01   0.08
   112   1     0.06  -0.02  -0.17    -0.08   0.06   0.05     0.12  -0.07  -0.23
   113   1     0.08  -0.01  -0.17     0.00  -0.10  -0.03     0.10  -0.01  -0.22
   114   1     0.01   0.01   0.00     0.01  -0.08   0.02    -0.03   0.05   0.07
   115   1    -0.02   0.03   0.08    -0.03  -0.06  -0.01     0.01   0.03   0.02
   116   1     0.07  -0.03  -0.17     0.05  -0.04  -0.02     0.09  -0.03  -0.23
   117   1    -0.00   0.01   0.06     0.05   0.02  -0.01     0.09   0.06   0.16
   118   1    -0.00  -0.04  -0.02    -0.01   0.07  -0.00    -0.03   0.07  -0.02
   119   1    -0.01  -0.03   0.01     0.03   0.07  -0.03     0.02   0.07  -0.08
   120   1     0.01  -0.02   0.07     0.02   0.09  -0.03     0.08   0.16   0.12
   121   1     0.05   0.04   0.09    -0.09  -0.05  -0.05    -0.06  -0.01   0.09
   122   1     0.02   0.02  -0.01    -0.05  -0.05   0.03    -0.08  -0.07  -0.02
   123   1     0.01  -0.01  -0.04    -0.05   0.01   0.04    -0.05   0.00   0.02
   124   1     0.03   0.05   0.09    -0.04  -0.07  -0.06     0.00  -0.03   0.08
   125   1     0.01   0.18   0.16     0.01   0.06   0.03    -0.01  -0.14  -0.14
   126   1    -0.03  -0.05  -0.07    -0.04   0.01   0.00     0.02   0.00   0.01
   127   1    -0.02   0.02  -0.02    -0.04   0.02  -0.03     0.02   0.03   0.06
   128   1    -0.01   0.17   0.16    -0.05   0.08   0.02     0.01  -0.15  -0.13
   129   1     0.00   0.08   0.16    -0.00  -0.01   0.02    -0.00  -0.10  -0.13
   130   1     0.01  -0.04   0.02     0.02  -0.04   0.01    -0.00   0.06   0.04
   131   1    -0.02  -0.08  -0.03    -0.00  -0.02   0.02     0.00   0.01  -0.00
   132   1     0.03   0.10   0.14     0.02  -0.02   0.02    -0.02  -0.10  -0.13
   133   1     0.00   0.02   0.00    -0.04   0.05   0.00     0.02  -0.00   0.00
   134   1    -0.01   0.04   0.02    -0.05   0.06   0.02     0.01   0.01   0.01
   135   1     0.04  -0.03   0.01     0.11  -0.09   0.01    -0.01   0.01   0.01
   136   1    -0.01  -0.01  -0.05    -0.04  -0.03  -0.15     0.01   0.00   0.02
   137   1    -0.01  -0.00  -0.03    -0.05  -0.03  -0.14     0.01   0.01   0.03
   138   1     0.01   0.02   0.00     0.03   0.04  -0.01    -0.01   0.00   0.00
   139   1     0.00  -0.01   0.02     0.02  -0.05   0.07    -0.00   0.01  -0.00
   140   1    -0.00   0.03   0.01     0.01   0.04   0.02    -0.00   0.01   0.00
   141   1    -0.00   0.00  -0.02    -0.01  -0.00  -0.06     0.00   0.00   0.00
   142   1     0.00   0.03   0.00     0.01   0.07  -0.01    -0.00   0.01   0.00
   143  17    -0.00   0.00   0.00     0.01  -0.00   0.01    -0.01   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --    435.9056               436.8671               438.5287
 Red. masses --      3.3984                 3.8884                 4.5013
 Frc consts  --      0.3805                 0.4372                 0.5100
 IR Inten    --      6.7235                 0.4425                 1.8061
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02    -0.01   0.00   0.01     0.02  -0.00  -0.01
     2   6    -0.01  -0.01   0.01    -0.01  -0.00  -0.02    -0.01   0.00  -0.03
     3   6    -0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.03  -0.01   0.02
     4   6    -0.00  -0.01  -0.00    -0.00   0.00   0.02    -0.01  -0.04   0.04
     5   6    -0.01  -0.01   0.02    -0.01   0.00  -0.00     0.01  -0.06   0.01
     6   6    -0.01  -0.02  -0.01    -0.01   0.00  -0.01     0.03  -0.04  -0.02
     7   6    -0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.04   0.01   0.01
     8   6     0.00   0.00   0.00     0.00  -0.00  -0.01     0.01   0.04  -0.07
     9   6     0.01   0.01  -0.01     0.00  -0.00  -0.00     0.01   0.01  -0.02
    10   6     0.01   0.00  -0.02     0.00   0.00   0.01     0.01   0.00   0.01
    11   6    -0.00  -0.00   0.01    -0.01   0.00   0.01    -0.04   0.00   0.02
    12   6     0.00   0.00  -0.01    -0.01   0.00  -0.01    -0.01   0.00   0.01
    13   6     0.00   0.00  -0.01    -0.01  -0.00   0.00    -0.02   0.01   0.09
    14   6    -0.01  -0.00   0.02    -0.01  -0.00  -0.00     0.02   0.05  -0.05
    15   7     0.00   0.02   0.02     0.01   0.01   0.02     0.01   0.02   0.02
    16   6     0.01   0.01   0.02     0.02  -0.00   0.02    -0.00   0.03   0.02
    17   6     0.01   0.01   0.01     0.01  -0.01  -0.01     0.00   0.01  -0.00
    18   7     0.01   0.01  -0.00     0.00  -0.01  -0.00     0.00   0.02  -0.02
    19   6    -0.00  -0.01  -0.02     0.03   0.00  -0.00    -0.03  -0.01  -0.00
    20   6     0.01  -0.01   0.01     0.02   0.01  -0.04    -0.01  -0.04   0.02
    21   6     0.01  -0.01   0.01     0.01   0.02  -0.01     0.00  -0.03   0.03
    22   6     0.01  -0.02  -0.02     0.00   0.01  -0.02     0.01  -0.03  -0.01
    23   6     0.01   0.01  -0.01     0.00   0.01   0.02     0.00  -0.01   0.04
    24   6     0.00   0.01  -0.01     0.00  -0.00  -0.01     0.02   0.00  -0.07
    25   6    -0.00   0.01   0.01     0.02   0.01   0.03    -0.01   0.02   0.00
    26   6    -0.00  -0.00   0.00     0.00  -0.02   0.00    -0.01  -0.01  -0.05
    27   6    -0.00   0.00   0.01    -0.01   0.01   0.00    -0.05  -0.00   0.06
    28   6    -0.00   0.00   0.00     0.00   0.01   0.01    -0.03   0.02   0.06
    29   6    -0.00  -0.00   0.01     0.00   0.00   0.02    -0.01   0.02   0.07
    30   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.04   0.01  -0.03
    31   6     0.00   0.01   0.00     0.00   0.02   0.00    -0.02  -0.01   0.04
    32   6    -0.01   0.00   0.01    -0.01  -0.01  -0.01    -0.01  -0.00  -0.05
    33   6    -0.01  -0.00   0.01    -0.01  -0.02  -0.01    -0.01   0.01  -0.05
    34   6    -0.00  -0.01   0.02     0.01  -0.01  -0.02    -0.01  -0.01  -0.03
    35   6     0.01   0.01  -0.00     0.01  -0.01   0.01     0.00  -0.01   0.02
    36   6    -0.01   0.01  -0.00     0.00  -0.02   0.04    -0.03   0.03  -0.03
    37   6    -0.01  -0.01   0.00    -0.02  -0.03  -0.05    -0.00  -0.01   0.03
    38   6     0.00  -0.01   0.01    -0.02  -0.02  -0.03     0.03  -0.01   0.03
    39   6     0.01  -0.00  -0.00    -0.01  -0.02  -0.02     0.02  -0.00  -0.01
    40   6    -0.00   0.01  -0.01     0.00   0.01   0.01    -0.00   0.02  -0.02
    41   7    -0.01  -0.01  -0.03     0.01   0.00   0.04     0.00   0.03   0.06
    42   7     0.01   0.00  -0.02     0.01   0.00  -0.02     0.05  -0.01  -0.11
    43   7    -0.00   0.00   0.01    -0.01   0.04   0.06     0.02  -0.01  -0.00
    44   6    -0.01   0.00   0.03     0.01  -0.01   0.02     0.01  -0.00   0.00
    45   6    -0.04   0.02   0.09    -0.00   0.00   0.04    -0.05   0.02   0.13
    46   6    -0.04   0.02   0.08    -0.01   0.01   0.03    -0.05   0.02   0.12
    47   6    -0.01   0.01   0.02     0.00   0.01  -0.01    -0.00   0.01  -0.01
    48   6     0.01   0.02   0.04    -0.01  -0.01   0.00    -0.00   0.03  -0.03
    49   6     0.03   0.04   0.13    -0.01  -0.02  -0.06    -0.03  -0.00  -0.10
    50   6     0.03   0.04   0.13    -0.01  -0.02  -0.07    -0.05  -0.02  -0.06
    51   6     0.01   0.01   0.05     0.01  -0.00  -0.02    -0.03  -0.00   0.03
    52   6    -0.01  -0.00  -0.01    -0.03  -0.02  -0.04     0.02   0.00   0.03
    53   6    -0.01  -0.01  -0.02    -0.03  -0.11  -0.12     0.02   0.02   0.02
    54   6    -0.00  -0.01  -0.01    -0.02  -0.11  -0.09     0.02   0.03  -0.01
    55   6     0.00  -0.00   0.00    -0.00  -0.03   0.01     0.01   0.02  -0.03
    56   6     0.03  -0.01  -0.07     0.01   0.01  -0.02     0.04  -0.01  -0.07
    57   6    -0.01   0.01   0.01    -0.01   0.02  -0.01     0.01   0.00  -0.02
    58   6    -0.03   0.02   0.06    -0.02   0.03   0.01    -0.04   0.03   0.08
    59   6     0.03  -0.01  -0.08    -0.01   0.01  -0.03     0.03  -0.01  -0.09
    60   6     0.04  -0.02  -0.08     0.01  -0.04  -0.02     0.04  -0.03  -0.09
    61   6    -0.03   0.00   0.06    -0.01  -0.03   0.03    -0.04  -0.00   0.09
    62   6    -0.01  -0.00   0.01    -0.00  -0.03   0.01     0.00  -0.02  -0.01
    63   6     0.04  -0.02  -0.07     0.03  -0.02  -0.02     0.04  -0.02  -0.07
    64   6    -0.03  -0.04  -0.11     0.03   0.02   0.04    -0.04   0.01   0.05
    65   6     0.00   0.01   0.02     0.01   0.02  -0.01    -0.02  -0.05   0.04
    66   6     0.02   0.03   0.09    -0.00   0.01  -0.06    -0.04  -0.09  -0.02
    67   6    -0.03  -0.04  -0.12     0.02   0.04   0.05    -0.01  -0.05   0.08
    68   6    -0.03  -0.04  -0.12    -0.00   0.01   0.05     0.08   0.05   0.04
    69   6     0.03   0.03   0.09    -0.03  -0.03  -0.03     0.05   0.02  -0.09
    70   6     0.01   0.01   0.02    -0.01  -0.01   0.01     0.05   0.03  -0.02
    71   6    -0.03  -0.03  -0.11     0.01   0.00   0.05     0.02   0.07   0.05
    72   6    -0.00  -0.00   0.01    -0.00   0.04   0.11     0.01   0.02  -0.03
    73   6     0.01  -0.01   0.01     0.04  -0.03   0.02    -0.04   0.02  -0.02
    74   6     0.01  -0.02  -0.00     0.05  -0.11  -0.04    -0.05   0.04  -0.02
    75   6     0.01   0.00   0.01     0.05   0.05   0.12    -0.05   0.03  -0.04
    76   6    -0.00   0.02   0.00     0.00   0.14   0.06     0.00  -0.06   0.01
    77   6    -0.00   0.01  -0.02    -0.02  -0.02  -0.13     0.02  -0.03   0.05
    78   6    -0.00   0.01  -0.01    -0.01   0.03  -0.05     0.01  -0.02   0.03
    79   6    -0.01   0.01   0.01    -0.03   0.10   0.08     0.03  -0.03  -0.01
    80   8    -0.03   0.00   0.01    -0.04   0.00   0.02     0.01  -0.01  -0.01
    81  15    -0.03   0.01   0.01    -0.04   0.01   0.01     0.02   0.00   0.01
    82   8     0.01   0.00  -0.04     0.01   0.01  -0.05     0.01  -0.00   0.01
    83   8     0.04   0.02   0.03     0.05   0.02   0.03    -0.02  -0.01  -0.00
    84   6     0.02  -0.03  -0.03     0.02  -0.04  -0.03    -0.01   0.01   0.01
    85   6    -0.00   0.00   0.01     0.00   0.01   0.02    -0.01  -0.00  -0.01
    86   6     0.01  -0.00  -0.01     0.01   0.00  -0.02    -0.00  -0.01   0.01
    87   6     0.00  -0.02  -0.00     0.00  -0.02  -0.00     0.00   0.00  -0.00
    88   1    -0.01  -0.01   0.03    -0.01  -0.00  -0.04    -0.02   0.02  -0.07
    89   1    -0.01  -0.00   0.05    -0.01   0.00  -0.02     0.02  -0.09  -0.00
    90   1    -0.01  -0.02  -0.01    -0.01  -0.00  -0.03     0.06  -0.04  -0.03
    91   1    -0.00   0.00   0.02    -0.02   0.00   0.02    -0.04  -0.00   0.01
    92   1     0.00   0.00  -0.01    -0.02  -0.00   0.01    -0.03   0.00   0.15
    93   1    -0.01  -0.01   0.02    -0.02  -0.01   0.00     0.04   0.06  -0.07
    94   1    -0.02  -0.02  -0.04     0.05   0.01   0.00    -0.07  -0.02  -0.03
    95   1     0.00  -0.02   0.01     0.02   0.01  -0.06    -0.03  -0.07   0.00
    96   1     0.02  -0.03  -0.05    -0.01   0.01  -0.02     0.04  -0.05  -0.04
    97   1    -0.00  -0.01   0.01    -0.00  -0.03   0.01    -0.04  -0.03  -0.10
    98   1    -0.01   0.01   0.00    -0.02   0.01  -0.01    -0.12   0.01   0.05
    99   1    -0.00  -0.00   0.01     0.01   0.00   0.03     0.02   0.07   0.09
   100   1     0.01   0.00  -0.00     0.03   0.01  -0.01     0.10   0.01  -0.03
   101   1    -0.00   0.01   0.01     0.00   0.03  -0.01    -0.05  -0.00   0.07
   102   1    -0.01   0.01  -0.00    -0.04  -0.00  -0.01    -0.02   0.00  -0.06
   103   1     0.00  -0.01   0.01     0.01  -0.02  -0.03    -0.00  -0.05  -0.01
   104   1     0.02   0.01  -0.01     0.03  -0.01   0.02     0.01  -0.01   0.04
   105   1    -0.03   0.01  -0.01    -0.01  -0.02   0.08    -0.06   0.04  -0.05
   106   1    -0.02  -0.02  -0.00    -0.04  -0.03  -0.05    -0.02  -0.03   0.03
   107   1     0.02  -0.01  -0.01     0.03  -0.03   0.00     0.02   0.00  -0.03
   108   1     0.00   0.02  -0.02     0.01   0.01   0.01     0.01   0.04  -0.04
   109   1     0.09  -0.03  -0.20     0.03   0.01  -0.04     0.10  -0.03  -0.21
   110   1     0.00  -0.00  -0.02    -0.01   0.00  -0.02     0.03  -0.02  -0.07
   111   1    -0.05   0.03   0.09    -0.03   0.03   0.03    -0.08   0.04   0.15
   112   1     0.08  -0.03  -0.20     0.00   0.01  -0.05     0.09  -0.03  -0.20
   113   1     0.09  -0.05  -0.20     0.03  -0.06  -0.07     0.09  -0.07  -0.20
   114   1    -0.04   0.01   0.10    -0.02  -0.03   0.04    -0.07   0.01   0.16
   115   1     0.00  -0.01  -0.01    -0.01  -0.02  -0.02     0.02  -0.03  -0.08
   116   1     0.10  -0.04  -0.21     0.05  -0.02  -0.07     0.11  -0.04  -0.22
   117   1    -0.09  -0.11  -0.32     0.05   0.05   0.14    -0.02   0.04   0.11
   118   1    -0.01  -0.01  -0.01    -0.00   0.03   0.02     0.04  -0.03   0.06
   119   1     0.04   0.05   0.15    -0.01  -0.00  -0.08    -0.06  -0.11  -0.07
   120   1    -0.09  -0.11  -0.31     0.05   0.08   0.12    -0.01  -0.05   0.13
   121   1    -0.07  -0.10  -0.30     0.01   0.03   0.12     0.13   0.11   0.15
   122   1     0.05   0.05   0.14    -0.04  -0.04  -0.07     0.04   0.01  -0.13
   123   1     0.00  -0.01  -0.02    -0.01   0.01   0.03     0.06   0.00   0.03
   124   1    -0.08  -0.10  -0.32     0.03   0.02   0.12     0.04   0.11   0.18
   125   1     0.00   0.01   0.03     0.00   0.17   0.25     0.02   0.01  -0.03
   126   1     0.01   0.00   0.01     0.05   0.03   0.04    -0.05  -0.00   0.00
   127   1     0.01  -0.03  -0.01     0.04  -0.17  -0.10    -0.05   0.06  -0.01
   128   1     0.01   0.01   0.02     0.08   0.15   0.24    -0.07   0.04  -0.05
   129   1    -0.00   0.05   0.01     0.00   0.31   0.21     0.00  -0.10  -0.02
   130   1    -0.00   0.00  -0.03    -0.02  -0.07  -0.18     0.02  -0.03   0.05
   131   1     0.01   0.01  -0.00     0.03   0.06   0.00    -0.02  -0.02   0.02
   132   1    -0.01   0.03   0.03    -0.02   0.27   0.27     0.03  -0.07  -0.06
   133   1     0.00  -0.03  -0.01     0.00  -0.03  -0.00    -0.01   0.01  -0.00
   134   1     0.02  -0.05  -0.03     0.03  -0.05  -0.03    -0.01   0.01   0.00
   135   1    -0.05   0.04  -0.02    -0.06   0.05  -0.02     0.03  -0.02   0.00
   136   1     0.01   0.01   0.06     0.01   0.02   0.08    -0.01  -0.01  -0.04
   137   1     0.01   0.01   0.05     0.02   0.01   0.06    -0.01  -0.01  -0.04
   138   1    -0.01  -0.03   0.00    -0.01  -0.03  -0.00     0.01   0.01  -0.00
   139   1    -0.00   0.01  -0.03    -0.01   0.01  -0.04     0.01  -0.01   0.02
   140   1     0.00  -0.04  -0.02     0.00  -0.04  -0.02     0.00   0.01   0.00
   141   1     0.00  -0.01   0.03     0.00  -0.00   0.04    -0.00  -0.00  -0.01
   142   1    -0.00  -0.05  -0.00    -0.00  -0.06  -0.00     0.00   0.01  -0.00
   143  17     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --    439.9355               444.9879               445.5928
 Red. masses --      5.4156                 4.9260                 4.6882
 Frc consts  --      0.6176                 0.5747                 0.5484
 IR Inten    --      2.2738                 4.7338                12.2926
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02   0.00    -0.06  -0.08   0.03    -0.00  -0.01  -0.03
     2   6    -0.00   0.02   0.00    -0.04  -0.10  -0.06    -0.02   0.00   0.09
     3   6    -0.01   0.02   0.02     0.02  -0.03  -0.02    -0.02  -0.01  -0.13
     4   6    -0.00  -0.00  -0.03     0.01   0.01   0.08    -0.02  -0.02  -0.04
     5   6     0.00  -0.00  -0.04    -0.04   0.01   0.02    -0.00  -0.00   0.15
     6   6     0.01   0.01   0.05    -0.09  -0.08  -0.06    -0.01  -0.03  -0.12
     7   6     0.01   0.03   0.01     0.05  -0.01  -0.03    -0.00   0.01  -0.11
     8   6     0.01   0.01  -0.03     0.03  -0.00   0.01    -0.02   0.01  -0.05
     9   6     0.01  -0.03  -0.04     0.04   0.01  -0.03    -0.03  -0.00  -0.01
    10   6    -0.02  -0.03  -0.01     0.04   0.04   0.02    -0.02  -0.02  -0.02
    11   6     0.01   0.03   0.01    -0.01   0.04   0.04    -0.05  -0.00   0.07
    12   6     0.02   0.03   0.01    -0.01   0.06  -0.05     0.02   0.01   0.00
    13   6     0.00   0.02   0.04    -0.00   0.07  -0.09     0.03   0.01  -0.06
    14   6     0.02   0.01  -0.02    -0.05  -0.01   0.11    -0.03  -0.01   0.08
    15   7     0.01  -0.03  -0.01     0.01   0.00  -0.03    -0.01   0.02   0.04
    16   6     0.01  -0.01   0.04     0.02   0.02   0.00    -0.01   0.01   0.03
    17   6    -0.02  -0.02   0.02     0.01  -0.00  -0.05     0.00   0.01   0.03
    18   7    -0.01  -0.02   0.04     0.03   0.03  -0.04    -0.01  -0.01   0.01
    19   6     0.01  -0.00   0.04     0.02   0.02   0.06    -0.03  -0.02  -0.04
    20   6    -0.03   0.00  -0.05    -0.00  -0.06  -0.05     0.00   0.00   0.04
    21   6    -0.04   0.01  -0.03    -0.01  -0.03   0.00     0.02  -0.00   0.02
    22   6    -0.05  -0.00  -0.03     0.02  -0.00   0.01    -0.00  -0.03  -0.02
    23   6    -0.02  -0.01  -0.03     0.06   0.04   0.07     0.02   0.01   0.03
    24   6     0.04  -0.00  -0.01    -0.00  -0.01   0.03     0.04   0.02   0.02
    25   6    -0.01   0.01   0.05    -0.03   0.03   0.04     0.03   0.01  -0.02
    26   6     0.00   0.00  -0.02     0.01  -0.04   0.06     0.05   0.03   0.03
    27   6    -0.02  -0.00   0.03     0.02   0.01  -0.05     0.04   0.03   0.03
    28   6    -0.02   0.02  -0.00     0.02   0.04  -0.08     0.02   0.00   0.02
    29   6     0.02   0.03  -0.00     0.02   0.00  -0.04     0.05   0.01   0.02
    30   6     0.04  -0.03   0.01    -0.00  -0.04   0.05     0.05   0.03   0.00
    31   6     0.00  -0.02  -0.02     0.05   0.09  -0.01    -0.00   0.00   0.04
    32   6     0.02  -0.00   0.03    -0.05  -0.01  -0.02    -0.01  -0.00  -0.04
    33   6     0.02   0.02   0.01    -0.06  -0.08   0.04    -0.01  -0.02  -0.03
    34   6    -0.00   0.03   0.01     0.03  -0.08  -0.00     0.01  -0.03  -0.01
    35   6    -0.04  -0.01  -0.00     0.13   0.03  -0.01     0.03  -0.00   0.01
    36   6    -0.01   0.00   0.05    -0.06   0.02   0.03     0.02   0.01  -0.03
    37   6    -0.02  -0.03  -0.03    -0.05  -0.03   0.00     0.03   0.01  -0.00
    38   6    -0.00  -0.03  -0.07     0.00  -0.04   0.00     0.02   0.01   0.02
    39   6    -0.01  -0.04  -0.07    -0.00  -0.03  -0.01     0.03   0.02   0.00
    40   6     0.03  -0.00   0.06    -0.02   0.03   0.00     0.02   0.02  -0.02
    41   7     0.00  -0.01  -0.04    -0.02  -0.01   0.05     0.01   0.01   0.05
    42   7    -0.01  -0.00  -0.03    -0.03   0.02   0.07    -0.01  -0.01  -0.01
    43   7     0.02   0.07   0.07     0.01   0.02   0.04    -0.01  -0.02  -0.01
    44   6    -0.02   0.03  -0.06     0.00   0.01   0.02    -0.04   0.03  -0.07
    45   6    -0.04   0.00  -0.03     0.03  -0.01  -0.05    -0.06  -0.01  -0.05
    46   6    -0.05  -0.04   0.03     0.01  -0.02  -0.05    -0.06  -0.04   0.01
    47   6    -0.03  -0.06   0.03    -0.02  -0.01   0.02    -0.04  -0.06   0.04
    48   6     0.00  -0.03   0.01    -0.02   0.05  -0.02    -0.00   0.02  -0.00
    49   6     0.02  -0.01   0.05    -0.03   0.05  -0.04    -0.02   0.00  -0.04
    50   6     0.02   0.00   0.02    -0.01   0.02  -0.00    -0.02   0.00  -0.02
    51   6     0.01   0.00  -0.03    -0.00  -0.01   0.05    -0.01   0.00   0.03
    52   6     0.05   0.00   0.05     0.04   0.00   0.04    -0.05  -0.00  -0.03
    53   6     0.04  -0.05  -0.06     0.03   0.00  -0.01    -0.04  -0.00   0.00
    54   6     0.02  -0.05  -0.11     0.03   0.00  -0.05    -0.03  -0.00   0.04
    55   6     0.00   0.03  -0.05     0.01   0.03  -0.04    -0.00  -0.02   0.04
    56   6    -0.02  -0.08  -0.03    -0.01  -0.00   0.01    -0.04  -0.07  -0.03
    57   6     0.05  -0.07   0.05     0.00   0.00   0.02     0.03  -0.06   0.04
    58   6     0.07  -0.11   0.08     0.03  -0.01  -0.03     0.06  -0.10   0.06
    59   6     0.08  -0.10   0.02    -0.00  -0.01   0.03     0.06  -0.11   0.02
    60   6    -0.00   0.12  -0.01    -0.01   0.01   0.03    -0.02   0.13  -0.01
    61   6    -0.00   0.14  -0.02     0.01  -0.00  -0.04     0.00   0.13  -0.03
    62   6     0.00   0.09  -0.04    -0.01   0.01   0.01     0.01   0.07  -0.03
    63   6    -0.07   0.04  -0.02    -0.01   0.01   0.02    -0.08   0.02  -0.02
    64   6     0.03  -0.00  -0.01    -0.04   0.00  -0.01    -0.02   0.00   0.00
    65   6     0.01   0.02  -0.03    -0.02  -0.00   0.03    -0.00  -0.01   0.02
    66   6     0.03   0.05  -0.00    -0.04  -0.04   0.02    -0.02  -0.03  -0.01
    67   6     0.01   0.03  -0.03    -0.03  -0.04   0.00    -0.01  -0.02   0.02
    68   6    -0.05  -0.03  -0.01     0.07   0.05  -0.02     0.03   0.02   0.01
    69   6    -0.05  -0.02   0.05     0.08   0.02  -0.04     0.02   0.01  -0.03
    70   6    -0.04  -0.02   0.01     0.06   0.02  -0.01     0.02   0.01   0.00
    71   6    -0.00  -0.04  -0.01    -0.01   0.05  -0.01    -0.00   0.02   0.01
    72   6     0.02   0.10   0.01     0.03   0.04  -0.02    -0.03  -0.04   0.02
    73   6    -0.06   0.05  -0.03    -0.04   0.03  -0.02     0.03  -0.02   0.02
    74   6    -0.09   0.02  -0.11    -0.07   0.03  -0.05     0.06  -0.04   0.05
    75   6    -0.07   0.11   0.02    -0.05   0.06  -0.03     0.05  -0.06   0.02
    76   6     0.02  -0.05   0.11     0.02  -0.06   0.04    -0.02   0.06  -0.05
    77   6     0.02  -0.13   0.03     0.02  -0.07   0.04    -0.01   0.07  -0.05
    78   6     0.01  -0.04   0.07     0.01  -0.02   0.04    -0.01   0.03  -0.04
    79   6     0.07   0.00   0.03     0.05  -0.01  -0.01    -0.05   0.01   0.01
    80   8     0.03   0.01  -0.03    -0.03   0.00   0.04    -0.00  -0.00  -0.03
    81  15     0.04  -0.02   0.00    -0.05   0.01  -0.01     0.01   0.01   0.01
    82   8     0.00  -0.00   0.04    -0.01  -0.00  -0.04     0.02  -0.00   0.00
    83   8    -0.05  -0.02  -0.04     0.05   0.02   0.03    -0.01  -0.00   0.00
    84   6    -0.02   0.04   0.03     0.03  -0.04  -0.03    -0.01   0.00  -0.00
    85   6    -0.00  -0.01  -0.02     0.01   0.01   0.02    -0.01  -0.00  -0.01
    86   6    -0.01   0.01   0.01     0.01   0.00  -0.01     0.00  -0.00  -0.00
    87   6    -0.00   0.03   0.01     0.00  -0.02  -0.00     0.00  -0.01  -0.00
    88   1    -0.01   0.03  -0.01    -0.03  -0.15  -0.10    -0.01   0.02   0.27
    89   1     0.01  -0.01  -0.07    -0.07   0.07   0.00     0.01   0.01   0.35
    90   1     0.03   0.01   0.09    -0.16  -0.07  -0.12    -0.01  -0.04  -0.20
    91   1     0.01   0.03   0.01    -0.02   0.07   0.14    -0.11  -0.03   0.18
    92   1    -0.03   0.02   0.07    -0.01   0.08  -0.14     0.04   0.01  -0.11
    93   1     0.02   0.02  -0.02    -0.12  -0.08   0.20    -0.07  -0.02   0.21
    94   1     0.04   0.00   0.05     0.00   0.05   0.12    -0.05  -0.05  -0.11
    95   1    -0.01   0.02  -0.08    -0.02  -0.08  -0.09    -0.01  -0.01   0.05
    96   1    -0.08   0.00  -0.02     0.06   0.02   0.06    -0.01  -0.06  -0.08
    97   1    -0.01  -0.02  -0.04     0.01  -0.08   0.12     0.05   0.03   0.02
    98   1    -0.02  -0.02   0.05     0.04  -0.01  -0.03     0.07   0.03   0.02
    99   1     0.04   0.07   0.00     0.01  -0.03  -0.03     0.06   0.03   0.03
   100   1     0.05  -0.05   0.04    -0.02  -0.08   0.08     0.04   0.04  -0.01
   101   1     0.02  -0.05  -0.03     0.04   0.20  -0.05    -0.02   0.02   0.07
   102   1     0.04  -0.01   0.05    -0.10   0.02  -0.07    -0.03   0.01  -0.06
   103   1    -0.02   0.07   0.01     0.08  -0.16  -0.05     0.01  -0.08  -0.01
   104   1    -0.08  -0.01   0.01     0.23   0.05  -0.06     0.07  -0.01   0.01
   105   1    -0.03   0.00   0.07    -0.09   0.03   0.03     0.02   0.01  -0.05
   106   1    -0.04  -0.08   0.01    -0.08  -0.07   0.01     0.04   0.03  -0.01
   107   1     0.02  -0.04  -0.08     0.02  -0.03  -0.03     0.04   0.02  -0.01
   108   1     0.08   0.02   0.09     0.00   0.06  -0.02     0.01   0.01  -0.04
   109   1    -0.00  -0.08  -0.11    -0.03   0.01   0.04    -0.02  -0.06  -0.10
   110   1     0.09  -0.00   0.03    -0.01   0.02   0.05     0.07   0.02   0.03
   111   1     0.07  -0.11   0.07     0.05  -0.02  -0.06     0.08  -0.11   0.05
   112   1     0.14  -0.16  -0.03    -0.01  -0.02   0.05     0.11  -0.16  -0.02
   113   1    -0.03   0.17   0.03    -0.02   0.00   0.05    -0.05   0.19   0.03
   114   1    -0.02   0.15   0.00     0.02  -0.01  -0.07     0.01   0.15  -0.01
   115   1     0.07   0.06  -0.01    -0.03   0.01   0.04     0.07   0.04   0.02
   116   1    -0.09   0.03   0.03    -0.03   0.02   0.06    -0.10  -0.00   0.05
   117   1     0.03  -0.00  -0.02    -0.05  -0.02  -0.04    -0.02   0.01  -0.00
   118   1    -0.02   0.01  -0.04     0.01   0.00   0.03     0.02  -0.00   0.03
   119   1     0.03   0.06   0.03    -0.04  -0.05  -0.00    -0.02  -0.04  -0.03
   120   1     0.02   0.04  -0.03    -0.03  -0.05  -0.04    -0.02  -0.03   0.01
   121   1    -0.08  -0.06  -0.04     0.12   0.08  -0.02     0.05   0.04   0.03
   122   1    -0.04  -0.01   0.06     0.08   0.02  -0.05     0.02   0.00  -0.05
   123   1    -0.05   0.01  -0.02     0.07  -0.03   0.02     0.03  -0.00   0.03
   124   1    -0.01  -0.05  -0.07    -0.04   0.04   0.04     0.00   0.03   0.05
   125   1     0.04   0.20   0.13     0.04   0.06   0.03    -0.04  -0.07  -0.03
   126   1    -0.07   0.05   0.05    -0.06   0.01   0.03     0.05   0.00  -0.02
   127   1    -0.09  -0.02  -0.15    -0.08   0.03  -0.06     0.07  -0.04   0.05
   128   1    -0.09   0.22   0.10    -0.08   0.11  -0.01     0.06  -0.10   0.00
   129   1     0.03  -0.06   0.15     0.02  -0.09   0.03    -0.03   0.11  -0.05
   130   1     0.01  -0.19  -0.02     0.01  -0.09   0.03    -0.00   0.09  -0.04
   131   1    -0.05   0.01   0.10    -0.03   0.00   0.04     0.04   0.01  -0.03
   132   1     0.07   0.05   0.06     0.04  -0.02  -0.03    -0.04   0.01   0.04
   133   1    -0.01   0.03   0.01     0.02  -0.03  -0.01    -0.02   0.00  -0.00
   134   1    -0.03   0.05   0.02     0.03  -0.04  -0.02    -0.01  -0.01  -0.01
   135   1     0.07  -0.06   0.02    -0.07   0.06  -0.01     0.01  -0.01  -0.01
   136   1    -0.02  -0.02  -0.08     0.02   0.02   0.09    -0.01  -0.00  -0.03
   137   1    -0.02  -0.01  -0.07     0.03   0.02   0.08    -0.01  -0.01  -0.03
   138   1     0.01   0.05  -0.00    -0.02  -0.04   0.01     0.01  -0.00  -0.01
   139   1     0.00  -0.00   0.04    -0.01   0.02  -0.04     0.00  -0.01   0.00
   140   1    -0.00   0.05   0.02    -0.00  -0.04  -0.02     0.00  -0.01  -0.00
   141   1    -0.01   0.01  -0.03     0.01  -0.00   0.03    -0.00  -0.00   0.00
   142   1     0.00   0.06   0.00    -0.00  -0.05  -0.00     0.00  -0.01  -0.00
   143  17    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.01  -0.00   0.01
                     91                     92                     93
                      A                      A                      A
 Frequencies --    450.9421               455.0882               459.1530
 Red. masses --      5.2541                 4.3464                 3.2421
 Frc consts  --      0.6295                 0.5304                 0.4027
 IR Inten    --      5.4718                 3.1125                 5.1759
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.05     0.00   0.00   0.04    -0.00  -0.00  -0.00
     2   6    -0.02  -0.02   0.05     0.01  -0.01  -0.12     0.00  -0.00   0.01
     3   6     0.00   0.02  -0.06     0.01   0.01   0.15     0.00  -0.00  -0.01
     4   6    -0.01   0.08  -0.04    -0.00   0.04   0.09     0.00  -0.01  -0.01
     5   6    -0.03   0.11  -0.04    -0.02   0.03  -0.15     0.00  -0.01   0.01
     6   6    -0.06   0.06   0.03    -0.01   0.04   0.11     0.00  -0.01  -0.01
     7   6     0.01   0.01  -0.06     0.00  -0.01   0.08     0.00   0.00  -0.00
     8   6    -0.00   0.02  -0.02    -0.01  -0.07  -0.05     0.00   0.01   0.00
     9   6    -0.04   0.02   0.04    -0.03  -0.03  -0.04     0.01   0.00  -0.00
    10   6    -0.04   0.04   0.04    -0.01   0.03   0.02     0.00  -0.00  -0.00
    11   6    -0.01  -0.04   0.04     0.01   0.05  -0.02     0.00  -0.00   0.00
    12   6     0.01  -0.04   0.03    -0.01   0.05  -0.03     0.00  -0.00   0.00
    13   6     0.03  -0.03   0.00    -0.10  -0.02   0.03     0.01   0.01  -0.00
    14   6     0.01   0.01   0.01    -0.04  -0.08  -0.08     0.00   0.01   0.01
    15   7    -0.03  -0.05  -0.05    -0.02   0.03   0.04     0.00  -0.00  -0.00
    16   6    -0.02  -0.08  -0.03    -0.04   0.05   0.04     0.00  -0.00  -0.00
    17   6    -0.05  -0.08  -0.02    -0.02   0.00  -0.03     0.00   0.00   0.00
    18   7    -0.02  -0.04   0.04    -0.02   0.02  -0.03     0.00   0.00   0.00
    19   6     0.05   0.02   0.10    -0.08   0.01   0.03     0.00  -0.00  -0.00
    20   6    -0.01   0.01  -0.08    -0.05  -0.09   0.01    -0.00   0.00   0.00
    21   6    -0.03   0.01  -0.07     0.03  -0.06   0.05    -0.01   0.00  -0.00
    22   6    -0.04   0.02   0.06     0.03  -0.07   0.01    -0.00   0.00  -0.00
    23   6     0.04  -0.04  -0.03     0.01  -0.01  -0.01    -0.00   0.00   0.00
    24   6    -0.01   0.00  -0.01     0.03  -0.01  -0.01    -0.00   0.00   0.00
    25   6     0.02   0.01   0.01     0.03   0.05   0.01    -0.00  -0.00   0.00
    26   6    -0.02   0.02  -0.03     0.03  -0.05   0.03    -0.00   0.00  -0.00
    27   6    -0.02  -0.01   0.02     0.02   0.02  -0.01    -0.00  -0.01   0.00
    28   6    -0.01  -0.03   0.05     0.02   0.06  -0.04    -0.00  -0.00   0.00
    29   6    -0.02  -0.01   0.02     0.05   0.03   0.00    -0.00   0.00  -0.01
    30   6    -0.01   0.03  -0.04     0.06  -0.03   0.04    -0.00  -0.00   0.00
    31   6     0.08  -0.04  -0.06     0.03  -0.00  -0.04    -0.01   0.00   0.00
    32   6     0.07  -0.05   0.04     0.01  -0.02   0.02    -0.00   0.00  -0.00
    33   6     0.02  -0.04   0.08     0.00  -0.01   0.03    -0.00   0.00  -0.00
    34   6     0.06  -0.04   0.05     0.02  -0.00   0.01    -0.00   0.00  -0.00
    35   6     0.07  -0.03  -0.05     0.01  -0.01  -0.01    -0.00   0.00   0.00
    36   6     0.05  -0.00   0.05     0.00   0.06  -0.05    -0.01   0.00  -0.01
    37   6     0.02  -0.01  -0.05     0.04  -0.00   0.00     0.00  -0.00   0.02
    38   6    -0.01  -0.00  -0.08     0.07  -0.02   0.05    -0.00   0.00  -0.00
    39   6     0.02  -0.01  -0.04     0.08   0.02  -0.02    -0.01   0.00  -0.02
    40   6     0.05  -0.00   0.04     0.04   0.07  -0.06     0.00  -0.01   0.02
    41   7    -0.02  -0.03  -0.06    -0.01  -0.01  -0.02    -0.00   0.00   0.00
    42   7     0.02  -0.01  -0.03    -0.01   0.02   0.01    -0.00  -0.00  -0.00
    43   7    -0.00   0.04   0.04     0.01  -0.02   0.01     0.01   0.00  -0.00
    44   6     0.00  -0.01   0.00     0.00   0.01  -0.03    -0.02   0.01   0.04
    45   6    -0.00   0.01   0.03    -0.00  -0.01  -0.03    -0.02   0.01   0.03
    46   6     0.01   0.02   0.02    -0.03  -0.03  -0.00     0.01  -0.01  -0.03
    47   6     0.02   0.01  -0.02    -0.04  -0.03   0.03     0.02  -0.01  -0.04
    48   6    -0.02   0.05  -0.08    -0.01   0.01  -0.01     0.00  -0.00   0.01
    49   6    -0.04   0.06  -0.00    -0.01   0.02   0.01     0.00  -0.00   0.00
    50   6    -0.04   0.05   0.06    -0.01   0.01   0.01     0.00  -0.00  -0.00
    51   6    -0.05  -0.01   0.04    -0.01  -0.01  -0.00     0.00  -0.00  -0.01
    52   6    -0.01   0.01  -0.01    -0.06  -0.02  -0.03     0.01  -0.14  -0.14
    53   6    -0.02  -0.03  -0.03    -0.06  -0.02  -0.01     0.01  -0.09  -0.10
    54   6    -0.02  -0.03   0.00    -0.03   0.01   0.03     0.02   0.09   0.08
    55   6    -0.01   0.00   0.05     0.01   0.00   0.05     0.01   0.15   0.13
    56   6     0.01   0.01   0.01    -0.02  -0.02  -0.02    -0.01  -0.00   0.03
    57   6    -0.00   0.00  -0.02     0.01  -0.01   0.02     0.01  -0.01  -0.02
    58   6    -0.02   0.02   0.00     0.03  -0.03   0.02     0.01  -0.01  -0.00
    59   6    -0.01   0.02  -0.01     0.02  -0.05   0.01    -0.01   0.00   0.03
    60   6     0.01  -0.02  -0.01    -0.02   0.03   0.01     0.01   0.00  -0.03
    61   6    -0.00  -0.02   0.02    -0.00   0.03  -0.02    -0.00   0.01   0.00
    62   6     0.01  -0.01  -0.00    -0.01   0.00  -0.01    -0.01   0.01   0.02
    63   6     0.02  -0.00  -0.00    -0.03  -0.00   0.01     0.01  -0.00  -0.03
    64   6    -0.07   0.02  -0.02    -0.01   0.00  -0.00     0.00  -0.00   0.00
    65   6    -0.02  -0.04   0.01    -0.01  -0.01  -0.00     0.00  -0.00  -0.00
    66   6    -0.04  -0.08   0.07    -0.01  -0.01   0.02     0.00   0.00  -0.00
    67   6    -0.06  -0.09   0.01    -0.01  -0.01   0.00     0.00   0.00   0.00
    68   6     0.08   0.08  -0.04     0.01   0.01  -0.01    -0.00  -0.00  -0.00
    69   6     0.10   0.06  -0.02     0.02   0.01   0.00    -0.00  -0.00   0.00
    70   6     0.03   0.01  -0.05     0.00  -0.00  -0.01     0.00   0.00   0.00
    71   6    -0.04   0.07   0.01    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    72   6    -0.02  -0.02   0.01    -0.03  -0.03  -0.01     0.01  -0.06  -0.10
    73   6     0.02   0.01   0.02    -0.00  -0.00   0.02    -0.02   0.07   0.04
    74   6     0.03  -0.03   0.00     0.03  -0.03   0.04    -0.04   0.04  -0.01
    75   6     0.02  -0.03   0.03     0.02  -0.05   0.01    -0.04  -0.05  -0.10
    76   6    -0.01   0.04  -0.00    -0.03   0.06  -0.03     0.01   0.04   0.11
    77   6    -0.01   0.01  -0.04    -0.00   0.05  -0.05     0.01  -0.05   0.02
    78   6    -0.01   0.02  -0.00     0.00   0.01  -0.03    -0.00  -0.08  -0.04
    79   6    -0.02   0.01   0.01    -0.04   0.01   0.03     0.03   0.07   0.09
    80   8     0.07   0.01  -0.02     0.01   0.00  -0.03    -0.00   0.00   0.00
    81  15     0.06  -0.02  -0.03     0.02   0.01   0.01    -0.00  -0.00  -0.00
    82   8    -0.02  -0.00   0.07     0.02  -0.01   0.01    -0.00   0.00  -0.00
    83   8    -0.06  -0.04  -0.06    -0.02  -0.00  -0.00     0.00   0.00  -0.00
    84   6    -0.02   0.06   0.06    -0.01   0.01   0.00     0.00  -0.00  -0.00
    85   6     0.01  -0.01  -0.01    -0.01  -0.00  -0.02     0.00   0.00   0.00
    86   6    -0.01  -0.00   0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    87   6    -0.01   0.04   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    88   1    -0.02  -0.03   0.07    -0.01  -0.02  -0.36     0.00  -0.00   0.02
    89   1    -0.04   0.13  -0.06    -0.02   0.00  -0.40     0.00  -0.01   0.03
    90   1    -0.14   0.07   0.02    -0.03   0.05   0.14     0.01  -0.01  -0.01
    91   1    -0.04  -0.06   0.07     0.03   0.06  -0.03    -0.00   0.00   0.00
    92   1     0.07  -0.03  -0.02    -0.21  -0.02   0.10     0.02   0.01  -0.01
    93   1     0.02   0.03   0.04    -0.05  -0.10  -0.10     0.00   0.01   0.01
    94   1     0.16   0.08   0.26    -0.13   0.01   0.02     0.00   0.00   0.00
    95   1     0.01   0.03  -0.09    -0.11  -0.18  -0.02     0.00   0.01   0.00
    96   1    -0.08   0.09   0.21     0.08  -0.07   0.00    -0.00   0.00  -0.00
    97   1    -0.02   0.04  -0.06     0.02  -0.10   0.07    -0.00   0.01  -0.01
    98   1    -0.03   0.01  -0.00     0.01  -0.00   0.01    -0.00  -0.01   0.01
    99   1    -0.02  -0.00   0.01     0.06   0.02   0.04    -0.00   0.00  -0.01
   100   1    -0.01   0.05  -0.07     0.09  -0.07   0.09    -0.01  -0.00   0.00
   101   1     0.11  -0.04  -0.11     0.04   0.00  -0.07    -0.01   0.00   0.01
   102   1     0.13  -0.05   0.03     0.03  -0.02   0.03    -0.01   0.00  -0.00
   103   1     0.07  -0.02   0.03     0.03   0.02  -0.01    -0.01  -0.00   0.00
   104   1     0.07  -0.01  -0.10    -0.00  -0.00  -0.02    -0.00   0.00   0.00
   105   1     0.07  -0.01   0.10    -0.05   0.08  -0.10    -0.02   0.00  -0.02
   106   1     0.02  -0.02  -0.02     0.01  -0.01  -0.02     0.01  -0.01   0.04
   107   1     0.05  -0.02  -0.02     0.11   0.02  -0.07    -0.02   0.00  -0.03
   108   1     0.08   0.00   0.08     0.05   0.11  -0.12     0.01  -0.01   0.04
   109   1     0.02   0.00   0.02    -0.02  -0.00  -0.07    -0.05   0.01   0.10
   110   1    -0.01  -0.02  -0.03     0.02   0.02   0.02     0.01  -0.00  -0.01
   111   1    -0.04   0.02   0.02     0.05  -0.03  -0.00    -0.01  -0.00   0.02
   112   1    -0.02   0.04  -0.01     0.05  -0.08  -0.02    -0.04   0.02   0.10
   113   1     0.02  -0.03  -0.03    -0.04   0.04   0.05     0.05  -0.01  -0.09
   114   1    -0.01  -0.02   0.03     0.00   0.03  -0.01     0.01   0.00  -0.02
   115   1     0.00  -0.01  -0.02     0.00  -0.00   0.01     0.00   0.01   0.01
   116   1     0.03  -0.01  -0.03    -0.05   0.01   0.06     0.04  -0.02  -0.10
   117   1    -0.08   0.01  -0.11    -0.01   0.00  -0.01     0.00   0.00   0.01
   118   1     0.04  -0.05  -0.04     0.00  -0.01  -0.02    -0.00   0.00   0.00
   119   1    -0.02  -0.09   0.09    -0.00  -0.01   0.03     0.00   0.00  -0.00
   120   1    -0.10  -0.15  -0.05    -0.01  -0.02  -0.00     0.01   0.01   0.01
   121   1     0.14   0.12   0.00     0.02   0.02  -0.01    -0.01  -0.01  -0.01
   122   1     0.14   0.06   0.02     0.03   0.01   0.01    -0.01  -0.00  -0.00
   123   1     0.04  -0.07  -0.04     0.00  -0.02  -0.01     0.00   0.00   0.00
   124   1    -0.05   0.06   0.07    -0.02   0.01   0.00     0.00  -0.00  -0.01
   125   1    -0.04  -0.01  -0.01    -0.03  -0.08  -0.06    -0.00  -0.27  -0.34
   126   1     0.03   0.04   0.02     0.01   0.02  -0.01    -0.03   0.02   0.03
   127   1     0.04  -0.06  -0.02     0.04  -0.04   0.02    -0.04  -0.03  -0.08
   128   1     0.04  -0.06   0.03     0.02  -0.10  -0.04    -0.06  -0.25  -0.32
   129   1    -0.01   0.06   0.02    -0.04   0.14  -0.02     0.02   0.23   0.34
   130   1    -0.01  -0.00  -0.06     0.01   0.08  -0.04     0.01   0.01   0.09
   131   1     0.01   0.03   0.02     0.05   0.00  -0.02    -0.03  -0.04  -0.01
   132   1    -0.02   0.04   0.05    -0.03   0.02   0.09     0.05   0.29   0.32
   133   1     0.01   0.05   0.02    -0.02   0.01  -0.01     0.00  -0.00  -0.00
   134   1    -0.03   0.09   0.06    -0.02  -0.00  -0.01     0.00  -0.00   0.00
   135   1     0.10  -0.07   0.04     0.03  -0.02  -0.01    -0.00   0.00  -0.00
   136   1    -0.01  -0.02  -0.09    -0.02  -0.01  -0.04     0.00   0.00   0.00
   137   1    -0.02  -0.01  -0.07    -0.02  -0.01  -0.05     0.00   0.00   0.00
   138   1     0.01   0.05   0.01     0.01   0.00  -0.00    -0.00   0.00   0.00
   139   1     0.00  -0.01   0.07     0.00  -0.01   0.01    -0.00   0.00  -0.00
   140   1    -0.01   0.09   0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
   141   1     0.00   0.01  -0.08    -0.00  -0.00  -0.01     0.00   0.00   0.00
   142   1     0.00   0.11   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
   143  17    -0.00   0.01   0.01     0.01  -0.00  -0.00    -0.00  -0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --    459.2358               459.2711               463.3604
 Red. masses --      3.2510                 3.2503                 5.0348
 Frc consts  --      0.4040                 0.4039                 0.6369
 IR Inten    --      5.7529                14.4368                 5.8901
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.03  -0.03   0.05
     2   6    -0.00  -0.00   0.01     0.00   0.01   0.00     0.00  -0.04  -0.02
     3   6     0.00  -0.00  -0.01    -0.00   0.00  -0.00     0.04   0.01  -0.02
     4   6     0.00   0.00  -0.01    -0.00  -0.00  -0.00     0.03   0.02   0.03
     5   6     0.00   0.00   0.01     0.00  -0.00   0.00    -0.01   0.03  -0.05
     6   6    -0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.04  -0.01   0.02
     7   6     0.00   0.00  -0.01    -0.00  -0.00   0.00     0.06   0.01  -0.07
     8   6     0.00   0.01   0.00    -0.00   0.00   0.01     0.06  -0.02  -0.13
     9   6     0.00   0.00   0.01     0.00   0.00   0.00     0.00  -0.01   0.05
    10   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01   0.06
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.04   0.07   0.10
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.04   0.07   0.02
    13   6     0.01   0.00  -0.00     0.00  -0.00  -0.00    -0.09   0.05   0.05
    14   6     0.00   0.01   0.01     0.00   0.00  -0.00    -0.03  -0.02  -0.05
    15   7     0.00  -0.00  -0.00     0.00   0.00   0.00     0.03   0.02   0.13
    16   6     0.00  -0.01  -0.01     0.01  -0.00  -0.00    -0.00  -0.07  -0.05
    17   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.04  -0.01
    18   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.03  -0.07  -0.02
    19   6     0.01   0.00   0.00     0.01  -0.00  -0.01     0.03  -0.02  -0.09
    20   6     0.00   0.01  -0.00     0.01   0.01   0.00     0.02   0.15   0.05
    21   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.03   0.11   0.02
    22   6    -0.00   0.01   0.00     0.00   0.00  -0.00    -0.05   0.11   0.06
    23   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.01
    24   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.04  -0.03  -0.06
    25   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.10  -0.06
    26   6    -0.00  -0.01   0.00    -0.00  -0.01   0.01     0.01  -0.08  -0.02
    27   6    -0.00   0.01  -0.02     0.00   0.01  -0.01    -0.04   0.01   0.01
    28   6    -0.00  -0.00   0.01     0.00  -0.00   0.00    -0.02   0.07  -0.01
    29   6    -0.01  -0.01   0.02    -0.00  -0.01   0.01     0.03   0.04   0.04
    30   6    -0.01   0.01  -0.02    -0.01   0.01  -0.01     0.08  -0.05  -0.00
    31   6    -0.00  -0.00   0.01     0.00   0.01  -0.01     0.02   0.02  -0.04
    32   6     0.01   0.01  -0.01    -0.01  -0.01   0.02    -0.00   0.00   0.02
    33   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.02  -0.02   0.07
    34   6    -0.00  -0.01   0.02     0.00   0.01  -0.02     0.01  -0.00   0.02
    35   6     0.01   0.00  -0.01    -0.01  -0.01   0.01     0.02   0.02  -0.04
    36   6    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.06  -0.09  -0.02
    37   6    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.03   0.05   0.01
    38   6    -0.01   0.00  -0.01    -0.01   0.00  -0.00    -0.04   0.08  -0.01
    39   6    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00    -0.07   0.02   0.05
    40   6    -0.00  -0.01   0.01    -0.01  -0.01   0.01    -0.03  -0.12   0.02
    41   7    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.02  -0.02
    42   7     0.01   0.00  -0.00     0.01   0.00   0.00     0.01   0.02  -0.04
    43   7     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02  -0.02  -0.07
    44   6     0.07  -0.04  -0.13     0.06  -0.03  -0.10     0.02   0.01  -0.01
    45   6     0.05  -0.02  -0.08     0.04  -0.01  -0.07     0.00  -0.01   0.02
    46   6    -0.03   0.03   0.09    -0.02   0.02   0.07    -0.02  -0.02   0.01
    47   6    -0.06   0.04   0.14    -0.04   0.03   0.11    -0.01  -0.02  -0.02
    48   6     0.03   0.05   0.11    -0.04  -0.06  -0.14    -0.01   0.00  -0.01
    49   6     0.01   0.04   0.07    -0.02  -0.05  -0.09    -0.00   0.01   0.01
    50   6    -0.03  -0.02  -0.07     0.04   0.03   0.09     0.01   0.00   0.01
    51   6    -0.04  -0.04  -0.11     0.05   0.05   0.14     0.01  -0.01  -0.01
    52   6     0.01  -0.02  -0.02     0.01  -0.02  -0.02     0.03  -0.02  -0.03
    53   6     0.01  -0.02  -0.02     0.01  -0.01  -0.02     0.03   0.01   0.02
    54   6     0.00   0.02   0.01     0.01   0.02   0.01     0.00   0.01   0.03
    55   6     0.00   0.03   0.02     0.00   0.03   0.02    -0.02  -0.02  -0.02
    56   6     0.05   0.01  -0.08     0.04   0.00  -0.06    -0.01  -0.01   0.00
    57   6    -0.04   0.03   0.04    -0.03   0.02   0.04     0.02  -0.01  -0.00
    58   6    -0.03   0.03  -0.00    -0.02   0.03  -0.00     0.02  -0.01   0.02
    59   6     0.02   0.01  -0.09     0.01   0.01  -0.07     0.01  -0.02   0.01
    60   6    -0.04  -0.02   0.08    -0.03  -0.01   0.07    -0.00  -0.00  -0.00
    61   6     0.00  -0.04  -0.01     0.00  -0.03  -0.01    -0.02   0.00   0.00
    62   6     0.03  -0.04  -0.05     0.02  -0.03  -0.04    -0.01  -0.01  -0.01
    63   6    -0.02   0.01   0.09    -0.01   0.01   0.07    -0.00  -0.00   0.00
    64   6     0.00   0.02   0.07    -0.00  -0.03  -0.09     0.00  -0.00  -0.00
    65   6    -0.02  -0.03  -0.04     0.02   0.04   0.05    -0.01   0.00  -0.01
    66   6    -0.01  -0.03  -0.00     0.02   0.04  -0.00    -0.00   0.01   0.01
    67   6     0.01  -0.00   0.07    -0.01   0.00  -0.09     0.00   0.00  -0.01
    68   6     0.01  -0.01  -0.08    -0.01   0.02   0.09     0.00   0.00  -0.01
    69   6     0.03   0.02   0.00    -0.04  -0.02  -0.00     0.01   0.00   0.01
    70   6     0.03   0.02   0.04    -0.04  -0.03  -0.05     0.00  -0.01  -0.01
    71   6    -0.02  -0.01  -0.07     0.03   0.01   0.09    -0.00   0.00   0.00
    72   6     0.00  -0.01  -0.02     0.00  -0.01  -0.02     0.01   0.00   0.01
    73   6    -0.00   0.01   0.01    -0.00   0.01   0.01     0.02  -0.02  -0.02
    74   6    -0.01   0.01  -0.00    -0.01   0.01  -0.00     0.01   0.02   0.01
    75   6    -0.01  -0.01  -0.02    -0.01  -0.01  -0.02     0.00   0.00  -0.01
    76   6     0.00   0.00   0.02     0.00   0.00   0.02     0.01  -0.02   0.01
    77   6     0.00  -0.01   0.01     0.00  -0.01   0.01    -0.01  -0.01   0.04
    78   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.01    -0.01  -0.03  -0.00
    79   6     0.01   0.01   0.01     0.01   0.01   0.01     0.02   0.01   0.00
    80   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.06  -0.01  -0.04
    81  15    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00   0.06
    82   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.06   0.02  -0.04
    83   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.03   0.02
    84   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.02  -0.04
    85   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.02  -0.00  -0.02
    86   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.02  -0.03
    87   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.02  -0.00
    88   1     0.00  -0.00   0.03     0.00   0.01   0.01     0.01  -0.08  -0.07
    89   1     0.00   0.01   0.02     0.00  -0.00   0.01    -0.02   0.06  -0.12
    90   1    -0.01  -0.00  -0.01     0.01   0.00   0.00    -0.08  -0.01   0.00
    91   1    -0.00  -0.01   0.01     0.01  -0.00  -0.01    -0.05   0.10   0.22
    92   1     0.02   0.00  -0.01     0.01  -0.00  -0.00    -0.18   0.05   0.10
    93   1     0.00   0.01   0.01     0.00   0.00  -0.01    -0.08  -0.09   0.01
    94   1     0.02   0.00   0.01     0.01  -0.01  -0.01     0.10  -0.05  -0.13
    95   1     0.01   0.01  -0.00     0.01   0.01   0.00     0.08   0.24   0.08
    96   1    -0.01   0.01   0.01    -0.00   0.00  -0.01    -0.14   0.13   0.10
    97   1    -0.00  -0.01   0.01    -0.00  -0.01   0.02    -0.02  -0.16  -0.02
    98   1    -0.01   0.02  -0.03    -0.00   0.01  -0.02    -0.12  -0.01   0.03
    99   1    -0.01  -0.02   0.02    -0.01  -0.02   0.01     0.07   0.07   0.10
   100   1    -0.00   0.02  -0.03    -0.01   0.02  -0.02     0.15  -0.09   0.04
   101   1    -0.01  -0.01   0.02     0.01   0.01  -0.02     0.04   0.05  -0.09
   102   1     0.01   0.01  -0.02    -0.02  -0.01   0.03     0.02   0.02  -0.01
   103   1    -0.01  -0.01   0.02     0.01   0.02  -0.03     0.02   0.02  -0.01
   104   1     0.01   0.01  -0.03    -0.02  -0.01   0.03     0.04   0.04  -0.09
   105   1     0.00  -0.01   0.00    -0.00  -0.01  -0.00     0.17  -0.12  -0.03
   106   1     0.00  -0.00   0.01    -0.00   0.00   0.01     0.11   0.13   0.01
   107   1    -0.01  -0.00  -0.00    -0.02   0.00   0.00    -0.17   0.04   0.11
   108   1     0.00  -0.01   0.02    -0.01  -0.01   0.01    -0.09  -0.21   0.07
   109   1     0.16  -0.04  -0.30     0.12  -0.03  -0.24    -0.03   0.01  -0.00
   110   1    -0.04   0.00   0.01    -0.03   0.00   0.01     0.04   0.01  -0.02
   111   1     0.00   0.02  -0.07     0.00   0.01  -0.06     0.01  -0.00   0.04
   112   1     0.10  -0.02  -0.30     0.08  -0.02  -0.24     0.02  -0.04   0.02
   113   1    -0.14   0.02   0.29    -0.11   0.01   0.23    -0.00  -0.02   0.00
   114   1    -0.03  -0.03   0.07    -0.02  -0.02   0.05    -0.02   0.00   0.02
   115   1    -0.01  -0.02  -0.03    -0.01  -0.02  -0.03    -0.00  -0.01  -0.03
   116   1    -0.12   0.06   0.32    -0.09   0.04   0.25    -0.00   0.01  -0.00
   117   1     0.05   0.09   0.26    -0.06  -0.11  -0.33    -0.00  -0.01  -0.00
   118   1     0.00  -0.03  -0.02    -0.01   0.03   0.03    -0.01  -0.00  -0.02
   119   1     0.00  -0.01   0.06    -0.00   0.01  -0.08     0.00   0.02   0.02
   120   1     0.06   0.05   0.25    -0.07  -0.07  -0.31     0.01   0.01  -0.01
   121   1    -0.03  -0.07  -0.25     0.04   0.09   0.32     0.02   0.01  -0.01
   122   1     0.01  -0.00  -0.06    -0.02   0.00   0.07     0.02   0.00   0.02
   123   1     0.03  -0.00   0.02    -0.03   0.00  -0.02     0.00  -0.02  -0.02
   124   1    -0.08  -0.07  -0.26     0.10   0.09   0.33    -0.01  -0.00   0.01
   125   1     0.00  -0.05  -0.06     0.00  -0.04  -0.06    -0.00   0.01   0.00
   126   1    -0.00   0.00   0.01    -0.01   0.00   0.01     0.02  -0.04  -0.04
   127   1    -0.01  -0.00  -0.02    -0.01  -0.00  -0.01     0.01   0.04   0.03
   128   1    -0.01  -0.04  -0.06    -0.01  -0.04  -0.06     0.02  -0.00   0.01
   129   1     0.01   0.04   0.06     0.01   0.03   0.06     0.01  -0.04   0.04
   130   1     0.00  -0.00   0.02     0.00  -0.00   0.02    -0.01   0.01   0.06
   131   1    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00    -0.03  -0.04  -0.03
   132   1     0.01   0.05   0.05     0.01   0.05   0.05     0.01   0.03  -0.02
   133   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.05  -0.01  -0.00
   134   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.08  -0.06
   135   1     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.02   0.02  -0.04
   136   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.03   0.00  -0.00
   137   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.02  -0.01  -0.02
   138   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.03
   139   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01   0.00  -0.03
   140   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.06  -0.01
   141   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01   0.01   0.06
   142   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.07  -0.01
   143  17    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
                     97                     98                     99
                      A                      A                      A
 Frequencies --    474.2890               492.1215               499.8452
 Red. masses --      6.0761                 4.2641                 6.8265
 Frc consts  --      0.8053                 0.6084                 1.0049
 IR Inten    --      3.5363                 5.9644                18.3117
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.08  -0.05    -0.04  -0.04  -0.06    -0.01   0.01  -0.05
     2   6    -0.07   0.10  -0.03     0.00  -0.05  -0.02    -0.07   0.02  -0.03
     3   6    -0.11   0.05   0.07     0.05   0.01  -0.02    -0.05   0.04   0.07
     4   6    -0.11   0.09  -0.01     0.03   0.04  -0.06    -0.05  -0.01   0.02
     5   6    -0.07   0.11  -0.02    -0.02   0.08   0.07    -0.02  -0.03   0.00
     6   6    -0.02   0.17   0.02    -0.07   0.01  -0.04    -0.00  -0.02   0.01
     7   6    -0.06  -0.00   0.08     0.05  -0.01   0.11     0.07   0.04   0.03
     8   6    -0.05  -0.05   0.04     0.02  -0.04   0.08     0.10   0.07  -0.02
     9   6    -0.00  -0.02  -0.06     0.01  -0.03   0.01     0.09  -0.06  -0.18
    10   6    -0.09   0.02  -0.07    -0.02  -0.03  -0.06    -0.03  -0.03  -0.10
    11   6     0.02  -0.04  -0.08     0.07   0.05  -0.00     0.10   0.02   0.02
    12   6     0.02  -0.04  -0.03    -0.02   0.05   0.04     0.09   0.03  -0.07
    13   6    -0.02  -0.09  -0.03    -0.04   0.03   0.06     0.14   0.07   0.02
    14   6    -0.03  -0.06  -0.03     0.04  -0.01  -0.09     0.09   0.06   0.15
    15   7     0.08   0.05   0.03    -0.03  -0.07  -0.07    -0.00  -0.08  -0.00
    16   6     0.14   0.01   0.05     0.01   0.05   0.17    -0.06  -0.04   0.04
    17   6     0.03   0.03   0.06     0.01   0.04   0.18    -0.07  -0.03   0.06
    18   7    -0.05  -0.02  -0.00    -0.02  -0.05  -0.05    -0.02   0.03   0.01
    19   6     0.15  -0.07  -0.11    -0.05  -0.05  -0.09    -0.05  -0.03   0.02
    20   6     0.16   0.02   0.02    -0.03   0.05   0.05    -0.06   0.02   0.03
    21   6     0.03   0.02   0.03    -0.02   0.04   0.02    -0.05   0.00  -0.01
    22   6     0.01  -0.00  -0.04    -0.07  -0.04  -0.08    -0.09  -0.03   0.02
    23   6     0.03  -0.03  -0.02     0.02   0.02   0.04     0.02   0.02  -0.02
    24   6    -0.01   0.02   0.03     0.01  -0.01  -0.04    -0.03   0.04  -0.01
    25   6    -0.02  -0.03  -0.00     0.00  -0.01  -0.02    -0.00   0.01  -0.03
    26   6     0.03   0.03   0.04    -0.02  -0.05  -0.01    -0.09   0.01   0.03
    27   6     0.06   0.01   0.00    -0.04  -0.01  -0.01    -0.06  -0.03  -0.03
    28   6     0.04  -0.01  -0.01    -0.03   0.03  -0.03    -0.06  -0.01  -0.09
    29   6     0.02   0.00  -0.01    -0.01  -0.00  -0.00    -0.08  -0.06  -0.06
    30   6    -0.00   0.03   0.03     0.01  -0.05  -0.00    -0.10  -0.04   0.01
    31   6     0.07  -0.08   0.03     0.03   0.04   0.02     0.02  -0.01   0.04
    32   6     0.09  -0.07  -0.00    -0.01   0.00  -0.01     0.01  -0.02  -0.01
    33   6     0.09  -0.02  -0.06    -0.01  -0.03   0.00     0.03   0.00  -0.06
    34   6     0.08  -0.06  -0.02     0.02  -0.03  -0.01     0.01  -0.03  -0.01
    35   6     0.04  -0.10   0.04     0.06   0.01   0.01     0.01  -0.02   0.04
    36   6    -0.03  -0.05   0.02     0.03  -0.00  -0.01     0.05   0.02  -0.00
    37   6    -0.04  -0.01   0.02     0.03   0.01  -0.01     0.06   0.02  -0.02
    38   6    -0.05   0.00   0.01     0.01   0.02  -0.03     0.03   0.02  -0.06
    39   6    -0.07  -0.02   0.03     0.02   0.01  -0.01     0.05   0.01  -0.02
    40   6    -0.06  -0.04   0.02     0.03  -0.01   0.01     0.06  -0.00   0.01
    41   7     0.03   0.00   0.01    -0.00  -0.01   0.02     0.02   0.01   0.01
    42   7     0.00  -0.00   0.03    -0.01   0.01  -0.01    -0.04  -0.00   0.01
    43   7    -0.02  -0.01  -0.01     0.00   0.01  -0.01     0.01   0.02  -0.01
    44   6    -0.02   0.01   0.00     0.02  -0.00   0.01     0.02  -0.02   0.04
    45   6    -0.02  -0.00  -0.02     0.02   0.00   0.01     0.05   0.01   0.01
    46   6    -0.01  -0.01  -0.01     0.00  -0.00   0.00     0.04   0.01  -0.00
    47   6    -0.01  -0.01   0.01    -0.01   0.01  -0.01    -0.01   0.03   0.01
    48   6     0.01   0.04  -0.01    -0.01   0.01   0.01     0.01   0.00   0.01
    49   6    -0.04   0.03  -0.01    -0.01   0.01  -0.01    -0.00  -0.01  -0.01
    50   6    -0.06   0.03  -0.00     0.00   0.00  -0.01    -0.02   0.01  -0.00
    51   6    -0.06   0.01   0.03     0.01  -0.01   0.01    -0.02   0.01   0.02
    52   6     0.03  -0.01   0.00    -0.00   0.01  -0.01    -0.01   0.02  -0.01
    53   6     0.04   0.01  -0.00    -0.00  -0.01   0.00    -0.01  -0.01   0.00
    54   6     0.03   0.01  -0.01    -0.01  -0.01   0.01    -0.03  -0.02   0.01
    55   6     0.00   0.02  -0.02    -0.01  -0.01   0.01    -0.01  -0.02   0.02
    56   6    -0.01  -0.00  -0.01     0.01  -0.00   0.00     0.03  -0.00   0.01
    57   6    -0.01   0.00   0.01     0.01  -0.00   0.00     0.01  -0.00   0.02
    58   6     0.01  -0.02  -0.00     0.00   0.01   0.00    -0.00   0.03  -0.02
    59   6     0.00  -0.02   0.01     0.00   0.01  -0.00    -0.00   0.04  -0.00
    60   6    -0.01   0.02  -0.01     0.01  -0.02   0.01     0.03  -0.04   0.03
    61   6     0.01   0.02  -0.01    -0.01  -0.02   0.00     0.01  -0.03  -0.00
    62   6    -0.00   0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.02   0.01
    63   6    -0.01  -0.01  -0.01     0.01   0.01   0.00     0.03   0.03   0.00
    64   6    -0.04   0.04  -0.01     0.00   0.00  -0.00    -0.01   0.01  -0.01
    65   6     0.00  -0.00   0.01    -0.00   0.01   0.00     0.01   0.00   0.01
    66   6    -0.02  -0.06   0.02    -0.01   0.00  -0.00    -0.00  -0.01  -0.00
    67   6    -0.06  -0.05   0.03    -0.00   0.00   0.00    -0.02  -0.01   0.01
    68   6     0.03   0.05  -0.02     0.01   0.01  -0.00     0.00   0.00   0.00
    69   6     0.03   0.03  -0.03     0.01  -0.00  -0.01    -0.00   0.00  -0.01
    70   6    -0.01   0.01   0.01     0.01  -0.00   0.01    -0.00   0.01   0.01
    71   6    -0.04   0.02   0.00    -0.01   0.00  -0.00    -0.00  -0.00  -0.00
    72   6     0.03   0.00  -0.00    -0.01  -0.00   0.00    -0.03  -0.00  -0.00
    73   6     0.01  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.00
    74   6    -0.02   0.02  -0.01     0.01  -0.01   0.00     0.02  -0.01   0.01
    75   6    -0.01   0.03  -0.03     0.00  -0.01   0.01     0.01  -0.03   0.03
    76   6     0.03  -0.03   0.02    -0.01   0.01  -0.00    -0.02   0.01  -0.01
    77   6     0.01  -0.02   0.03    -0.01   0.00  -0.00    -0.01   0.01  -0.01
    78   6    -0.00  -0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
    79   6     0.03   0.01  -0.01    -0.00  -0.00   0.01    -0.01  -0.01   0.01
    80   8    -0.03  -0.04   0.01     0.04   0.06   0.04    -0.08  -0.01  -0.15
    81  15    -0.03   0.04   0.03     0.00  -0.05  -0.05     0.05  -0.00   0.16
    82   8     0.02  -0.01  -0.02    -0.06   0.01   0.02     0.17  -0.02  -0.01
    83   8    -0.00   0.02   0.05     0.04  -0.02  -0.07    -0.06   0.06   0.03
    84   6     0.00  -0.03  -0.03     0.00   0.02   0.04    -0.03  -0.00  -0.04
    85   6    -0.01   0.00  -0.01     0.02   0.00   0.03    -0.05  -0.01  -0.07
    86   6     0.01  -0.01  -0.02    -0.01   0.01   0.02     0.00   0.06  -0.06
    87   6     0.01  -0.04  -0.01    -0.01   0.04   0.01     0.00  -0.02   0.00
    88   1    -0.10   0.19  -0.06     0.03  -0.08   0.09    -0.08   0.04  -0.07
    89   1    -0.05   0.04  -0.05    -0.04   0.16   0.20    -0.02  -0.05  -0.03
    90   1    -0.04   0.17   0.05    -0.14   0.03   0.00     0.01  -0.02   0.04
    91   1     0.03  -0.06  -0.15     0.16   0.11  -0.13     0.07   0.02   0.13
    92   1    -0.04  -0.09  -0.01    -0.08   0.04   0.04     0.18   0.06   0.06
    93   1    -0.00  -0.03  -0.05     0.07  -0.01  -0.26     0.06   0.06   0.26
    94   1     0.10  -0.13  -0.25    -0.10  -0.18  -0.38    -0.04  -0.05  -0.04
    95   1     0.22   0.08  -0.02    -0.04   0.03  -0.00    -0.06   0.02   0.03
    96   1     0.00  -0.07  -0.17    -0.17  -0.16  -0.34    -0.14  -0.03   0.02
    97   1     0.05   0.07   0.06    -0.04  -0.10  -0.00    -0.09  -0.04   0.08
    98   1     0.10   0.01   0.00    -0.07  -0.04   0.02    -0.01  -0.08   0.02
    99   1     0.01  -0.02  -0.03     0.00  -0.01   0.04    -0.10  -0.12  -0.04
   100   1    -0.03   0.03   0.03     0.03  -0.08   0.03    -0.18  -0.08   0.05
   101   1     0.06  -0.14   0.08     0.02   0.09   0.01    -0.01  -0.03   0.10
   102   1     0.08  -0.10   0.04    -0.05   0.02  -0.04    -0.04  -0.04   0.04
   103   1     0.06  -0.09   0.02     0.05  -0.07  -0.04    -0.00  -0.07   0.04
   104   1     0.04  -0.13   0.10     0.12   0.01   0.01     0.01  -0.06   0.10
   105   1    -0.02  -0.05   0.02     0.06  -0.01   0.01     0.10   0.00   0.04
   106   1    -0.03   0.00   0.02     0.04   0.01   0.01     0.07   0.01   0.03
   107   1    -0.10  -0.01   0.06     0.02   0.00   0.01     0.07  -0.00   0.02
   108   1    -0.09  -0.08   0.04     0.03  -0.02   0.03     0.09   0.00   0.05
   109   1    -0.02   0.00  -0.01     0.00   0.00   0.00     0.04  -0.01   0.01
   110   1    -0.00   0.02   0.01     0.01  -0.01   0.00    -0.01  -0.03   0.03
   111   1     0.02  -0.02  -0.01    -0.00   0.01  -0.00    -0.02   0.02  -0.05
   112   1     0.00  -0.03   0.01     0.01   0.00   0.01    -0.01   0.05  -0.01
   113   1    -0.01   0.04  -0.01     0.01  -0.04   0.01     0.04  -0.07   0.02
   114   1     0.02   0.02  -0.02    -0.01  -0.02  -0.00    -0.01  -0.06  -0.03
   115   1     0.01   0.00   0.03    -0.02   0.00  -0.01    -0.04   0.04  -0.00
   116   1    -0.01  -0.02  -0.01     0.01   0.03  -0.00     0.04   0.06  -0.01
   117   1    -0.02   0.08  -0.03    -0.00  -0.01  -0.00    -0.00   0.03  -0.02
   118   1     0.06  -0.00  -0.00     0.00   0.01   0.01     0.02   0.01   0.01
   119   1    -0.00  -0.09   0.01    -0.01  -0.01  -0.01     0.00  -0.03  -0.02
   120   1    -0.07  -0.09   0.04    -0.00   0.01  -0.01    -0.03  -0.03   0.01
   121   1     0.04   0.06  -0.02     0.02   0.02  -0.01    -0.01  -0.00   0.00
   122   1     0.06   0.01  -0.04     0.01  -0.01  -0.02    -0.00  -0.00  -0.02
   123   1     0.00  -0.03   0.03     0.01  -0.01   0.02    -0.00   0.01   0.02
   124   1    -0.05   0.02   0.01    -0.02  -0.00   0.00     0.00   0.00  -0.01
   125   1     0.04   0.00   0.00    -0.02   0.00  -0.01    -0.05   0.01  -0.01
   126   1    -0.00  -0.03   0.01     0.00   0.01  -0.01     0.00   0.03  -0.02
   127   1    -0.04   0.03  -0.01     0.02  -0.01   0.00     0.04  -0.02  -0.00
   128   1    -0.02   0.04  -0.03     0.01  -0.02   0.01     0.02  -0.05   0.03
   129   1     0.03  -0.05   0.04    -0.01   0.01   0.00    -0.02   0.01  -0.01
   130   1    -0.01  -0.03   0.04    -0.00   0.01  -0.01    -0.00   0.01  -0.02
   131   1    -0.03  -0.00  -0.01     0.00  -0.00   0.01     0.01  -0.00   0.02
   132   1     0.02   0.03  -0.03    -0.00  -0.00   0.01    -0.01  -0.01   0.01
   133   1    -0.02  -0.02  -0.02     0.04   0.02   0.03    -0.12  -0.00  -0.05
   134   1     0.00  -0.04  -0.04     0.01   0.07   0.06    -0.04  -0.10  -0.12
   135   1    -0.04   0.02  -0.03     0.02  -0.01   0.04     0.04  -0.04  -0.05
   136   1    -0.01   0.01   0.01     0.03  -0.00   0.02    -0.08  -0.02  -0.12
   137   1    -0.01   0.00   0.00     0.02   0.01   0.03    -0.07  -0.04  -0.14
   138   1     0.01  -0.04  -0.02    -0.02   0.04   0.03     0.02   0.04  -0.07
   139   1     0.01  -0.03  -0.02    -0.02   0.06   0.01     0.02   0.01  -0.04
   140   1     0.01  -0.08  -0.02    -0.02   0.09   0.02     0.02  -0.11  -0.00
   141   1    -0.01  -0.02   0.04     0.01   0.02  -0.05    -0.04   0.03   0.13
   142   1     0.01  -0.08  -0.02    -0.02   0.08   0.02     0.01  -0.11  -0.01
   143  17     0.00  -0.00   0.00    -0.01   0.00   0.00    -0.01  -0.01  -0.02
                    100                    101                    102
                      A                      A                      A
 Frequencies --    503.3518               519.2007               530.4124
 Red. masses --      3.9873                 4.3579                 4.4145
 Frc consts  --      0.5952                 0.6922                 0.7317
 IR Inten    --      4.8158                12.4688                 6.8510
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.10    -0.01  -0.02   0.06    -0.01   0.01  -0.00
     2   6     0.02  -0.04   0.02     0.05  -0.03  -0.05    -0.01   0.01   0.01
     3   6     0.04  -0.03  -0.05     0.07   0.01   0.02    -0.01   0.01  -0.03
     4   6     0.03   0.01  -0.14     0.08   0.02   0.10    -0.01   0.00  -0.03
     5   6    -0.02   0.06   0.09     0.02   0.03  -0.00    -0.01   0.01   0.00
     6   6    -0.05   0.01  -0.04    -0.02  -0.00  -0.03    -0.01   0.01  -0.00
     7   6    -0.03  -0.03   0.15    -0.08   0.03   0.01     0.01   0.01   0.01
     8   6    -0.05  -0.07   0.14    -0.11   0.03   0.08     0.01  -0.00   0.02
     9   6    -0.01   0.00  -0.00    -0.02  -0.04  -0.06     0.01  -0.03  -0.01
    10   6     0.02   0.01  -0.08     0.04  -0.03  -0.02    -0.01  -0.02   0.01
    11   6     0.02   0.03  -0.06    -0.05  -0.01  -0.07     0.02   0.01   0.00
    12   6    -0.04   0.02   0.05    -0.01  -0.05   0.05     0.00   0.01   0.01
    13   6    -0.07  -0.01   0.04     0.02  -0.01  -0.04     0.01   0.01   0.00
    14   6     0.01  -0.03  -0.14    -0.03   0.04   0.01     0.01   0.01   0.00
    15   7    -0.00   0.03   0.05    -0.04  -0.06  -0.07     0.01  -0.03  -0.00
    16   6    -0.05  -0.06  -0.14     0.01   0.04   0.09     0.00  -0.00   0.01
    17   6    -0.00  -0.04  -0.09     0.05   0.02   0.06    -0.01  -0.01  -0.03
    18   7     0.05   0.06   0.07     0.04  -0.04  -0.05    -0.01  -0.00   0.04
    19   6    -0.00   0.03   0.07    -0.01   0.01  -0.02     0.02   0.03   0.02
    20   6    -0.02  -0.02  -0.02    -0.02   0.03  -0.00    -0.02   0.02  -0.05
    21   6    -0.01  -0.03  -0.05     0.01   0.03   0.00    -0.00   0.03   0.01
    22   6     0.03   0.02   0.05     0.01   0.01  -0.04    -0.01   0.02  -0.03
    23   6     0.03   0.03   0.02    -0.05  -0.05   0.09    -0.00   0.00  -0.00
    24   6     0.01  -0.01  -0.02    -0.00  -0.08   0.09     0.00  -0.01   0.00
    25   6    -0.01   0.02  -0.01     0.00  -0.00  -0.00     0.07  -0.05   0.13
    26   6     0.02  -0.02  -0.01     0.02   0.02  -0.03    -0.01  -0.00  -0.01
    27   6     0.00   0.00   0.01     0.02   0.03  -0.01    -0.01   0.00  -0.00
    28   6     0.01   0.02   0.00     0.01  -0.08   0.12    -0.01  -0.01   0.00
    29   6     0.02   0.01   0.01     0.00   0.03  -0.01    -0.01  -0.00  -0.00
    30   6     0.03  -0.01   0.00     0.01   0.03  -0.03    -0.00  -0.01  -0.01
    31   6     0.01   0.04   0.03    -0.00   0.01  -0.04     0.01  -0.00   0.00
    32   6    -0.02   0.01  -0.01     0.01   0.03  -0.01     0.01  -0.01   0.00
    33   6    -0.01  -0.01  -0.03    -0.05  -0.04   0.12     0.01  -0.01  -0.00
    34   6     0.01  -0.02  -0.01     0.01   0.02  -0.01     0.00  -0.01   0.00
    35   6     0.04   0.02   0.03     0.00   0.01  -0.04     0.00  -0.01  -0.00
    36   6    -0.01   0.01   0.02    -0.01  -0.01   0.00     0.01  -0.03  -0.02
    37   6    -0.01  -0.01   0.00    -0.01  -0.01   0.01    -0.02   0.02  -0.05
    38   6    -0.01  -0.01  -0.02    -0.01  -0.00   0.00     0.05  -0.01   0.14
    39   6     0.00  -0.00  -0.00    -0.01   0.00   0.01    -0.04   0.02  -0.04
    40   6     0.00   0.02   0.01    -0.01  -0.00   0.01    -0.01  -0.03  -0.01
    41   7     0.00   0.00   0.02    -0.02  -0.02  -0.01     0.00  -0.00   0.00
    42   7     0.01   0.01  -0.00     0.02  -0.03  -0.01    -0.00  -0.00  -0.00
    43   7    -0.00   0.01   0.01    -0.01  -0.00   0.00    -0.01  -0.00  -0.01
    44   6     0.00   0.01  -0.00    -0.05  -0.01  -0.04    -0.00  -0.00  -0.00
    45   6    -0.00  -0.00   0.00    -0.05  -0.01  -0.01    -0.00  -0.00   0.00
    46   6    -0.01  -0.01  -0.00     0.03   0.03   0.02     0.01   0.00   0.00
    47   6    -0.01  -0.01  -0.00     0.05   0.02  -0.00     0.00   0.01  -0.00
    48   6     0.00   0.00   0.01    -0.04   0.03  -0.02     0.00  -0.00  -0.00
    49   6    -0.00   0.00  -0.01    -0.02   0.04   0.00    -0.00  -0.00  -0.00
    50   6     0.00  -0.00  -0.01     0.04  -0.02   0.00    -0.01   0.00   0.00
    51   6     0.00   0.00   0.01     0.04  -0.03  -0.02    -0.01  -0.00   0.00
    52   6     0.01   0.01   0.00     0.01  -0.00   0.00    -0.16  -0.00  -0.01
    53   6     0.00  -0.00  -0.00     0.01   0.00  -0.00    -0.11  -0.04   0.05
    54   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.12   0.04  -0.04
    55   6    -0.00   0.00   0.01    -0.00   0.00  -0.00     0.08   0.09  -0.11
    56   6    -0.01  -0.00  -0.00     0.03  -0.01   0.02     0.01  -0.00   0.01
    57   6     0.00   0.00  -0.00     0.00  -0.02  -0.01     0.00  -0.01   0.00
    58   6     0.00  -0.00   0.01    -0.02  -0.00   0.00    -0.00   0.00  -0.00
    59   6     0.00  -0.01   0.00     0.01   0.03  -0.01     0.00   0.01  -0.00
    60   6    -0.00   0.00  -0.00    -0.03   0.03  -0.03    -0.00  -0.00  -0.00
    61   6    -0.01   0.00  -0.00     0.01   0.02   0.01     0.00  -0.00   0.00
    62   6    -0.00  -0.01  -0.00     0.02  -0.02  -0.00     0.00  -0.00  -0.00
    63   6    -0.00  -0.00   0.00    -0.03  -0.04   0.00    -0.00  -0.00   0.00
    64   6     0.00   0.00  -0.00     0.01  -0.04   0.02    -0.00   0.01  -0.00
    65   6     0.00   0.01   0.01    -0.02  -0.01  -0.00     0.00   0.00  -0.00
    66   6    -0.00  -0.00  -0.01    -0.00   0.02   0.01    -0.00  -0.00   0.00
    67   6    -0.00   0.00   0.00     0.04   0.01  -0.02    -0.01  -0.00   0.00
    68   6     0.00  -0.00   0.00     0.00   0.03  -0.02     0.00   0.00  -0.00
    69   6     0.00  -0.00  -0.01     0.02  -0.00   0.01     0.00   0.00  -0.00
    70   6     0.01   0.00   0.01    -0.01  -0.02  -0.01    -0.00   0.00  -0.00
    71   6     0.00   0.00  -0.00    -0.03   0.01   0.01     0.00   0.00  -0.00
    72   6    -0.00  -0.00  -0.00     0.01  -0.00  -0.00     0.16  -0.04   0.03
    73   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.08  -0.08   0.05
    74   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.02  -0.00
    75   6    -0.00   0.00   0.00    -0.00   0.01  -0.00     0.03   0.12  -0.12
    76   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.15   0.05  -0.05
    77   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.03  -0.01
    78   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.02  -0.10   0.07
    79   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.05  -0.11   0.11
    80   8    -0.03  -0.03  -0.06    -0.04  -0.02  -0.07    -0.02   0.02  -0.01
    81  15     0.02   0.02   0.07     0.03   0.02   0.08    -0.00  -0.04   0.02
    82   8     0.08  -0.01   0.00     0.09  -0.03   0.01     0.01   0.01  -0.01
    83   8    -0.04   0.02   0.04    -0.04   0.04   0.03     0.01   0.00  -0.02
    84   6    -0.02  -0.00  -0.02    -0.02   0.00  -0.02    -0.00   0.00   0.00
    85   6    -0.03  -0.00  -0.04    -0.03  -0.00  -0.04    -0.00  -0.00  -0.00
    86   6     0.00   0.00  -0.02     0.00   0.03  -0.03    -0.00   0.02  -0.01
    87   6     0.00  -0.02  -0.01     0.00  -0.02  -0.00    -0.00   0.01   0.01
    88   1     0.05  -0.06   0.24     0.07  -0.09  -0.15    -0.01   0.02   0.06
    89   1    -0.03   0.13   0.32     0.01   0.08  -0.10    -0.01   0.02   0.03
    90   1    -0.08   0.03   0.06    -0.05  -0.01  -0.13    -0.01   0.01   0.01
    91   1     0.15   0.08  -0.31    -0.05  -0.07  -0.19     0.03   0.02  -0.02
    92   1    -0.11   0.01  -0.01     0.09  -0.01  -0.13     0.01   0.02  -0.01
    93   1     0.08   0.01  -0.36     0.03   0.12  -0.04     0.02   0.01  -0.02
    94   1     0.06   0.13   0.30    -0.03  -0.06  -0.17     0.05   0.04   0.05
    95   1    -0.01   0.02   0.08    -0.03  -0.00  -0.07    -0.01   0.02  -0.09
    96   1     0.07   0.11   0.24    -0.03  -0.04  -0.15    -0.03   0.04  -0.01
    97   1     0.01  -0.04  -0.02     0.02   0.15  -0.17    -0.01  -0.01  -0.02
    98   1    -0.02  -0.00   0.01    -0.00   0.16  -0.15    -0.02   0.01  -0.01
    99   1     0.03   0.03   0.03     0.01   0.17  -0.14    -0.00   0.01  -0.01
   100   1     0.07  -0.02   0.01     0.03   0.15  -0.17    -0.00  -0.00  -0.01
   101   1    -0.01   0.07   0.06     0.06   0.08  -0.18     0.01  -0.01   0.00
   102   1    -0.07   0.01  -0.01     0.09   0.09  -0.15     0.01  -0.01   0.01
   103   1     0.02  -0.07  -0.00     0.07   0.11  -0.15     0.00  -0.01   0.01
   104   1     0.07   0.00   0.05     0.05   0.09  -0.18     0.01  -0.01   0.00
   105   1    -0.01   0.01   0.05    -0.02  -0.01   0.01    -0.06   0.01  -0.21
   106   1    -0.01  -0.03   0.03    -0.01  -0.00   0.01    -0.10   0.10  -0.26
   107   1     0.03  -0.01   0.01    -0.01   0.00   0.01    -0.16   0.08  -0.24
   108   1     0.02   0.03   0.03    -0.02  -0.01   0.01    -0.11  -0.01  -0.19
   109   1    -0.01   0.01  -0.01     0.05  -0.04   0.05     0.01  -0.01   0.01
   110   1     0.01   0.01  -0.01    -0.01  -0.04  -0.02     0.00  -0.01   0.00
   111   1     0.01  -0.00   0.01    -0.05  -0.00   0.01    -0.01   0.00  -0.00
   112   1     0.01  -0.02   0.01    -0.02   0.07  -0.02     0.00   0.01  -0.00
   113   1    -0.00  -0.00   0.00    -0.04   0.09  -0.02    -0.00   0.00  -0.00
   114   1    -0.00   0.01   0.00     0.03   0.05   0.04     0.00   0.00   0.00
   115   1     0.00  -0.01  -0.00     0.05  -0.04   0.00     0.00  -0.00  -0.00
   116   1    -0.00  -0.00   0.00    -0.04  -0.09   0.02    -0.00  -0.00   0.00
   117   1    -0.00  -0.00  -0.01     0.00  -0.07   0.04    -0.00   0.01  -0.00
   118   1     0.00   0.01   0.02    -0.05  -0.02  -0.01     0.01   0.00  -0.00
   119   1    -0.01  -0.01  -0.02    -0.02   0.05   0.02     0.00  -0.01   0.00
   120   1    -0.00   0.00  -0.00     0.06   0.05  -0.03    -0.01  -0.01   0.00
   121   1     0.00  -0.00  -0.00     0.04   0.06  -0.02    -0.00   0.00   0.00
   122   1    -0.01  -0.01  -0.02     0.05  -0.01   0.03     0.00   0.00  -0.00
   123   1     0.01   0.01   0.02    -0.01  -0.05  -0.01    -0.00   0.00   0.00
   124   1    -0.00  -0.00  -0.01    -0.06  -0.01   0.04     0.00   0.00   0.00
   125   1    -0.00  -0.00  -0.00     0.01  -0.00   0.00     0.24  -0.09   0.09
   126   1     0.00   0.01   0.01     0.00  -0.00   0.00     0.05  -0.15   0.11
   127   1     0.00  -0.01  -0.01    -0.01   0.00  -0.00    -0.17   0.01   0.04
   128   1     0.00  -0.00   0.00    -0.00   0.01  -0.00    -0.04   0.18  -0.15
   129   1     0.00  -0.01   0.00     0.01  -0.01   0.00    -0.17   0.13  -0.10
   130   1    -0.00  -0.01  -0.01    -0.00  -0.01   0.01     0.11   0.11  -0.06
   131   1    -0.00   0.01   0.01    -0.01   0.00  -0.00     0.12  -0.13   0.08
   132   1     0.00   0.00  -0.01     0.00   0.01  -0.01    -0.03  -0.18   0.19
   133   1    -0.06  -0.00  -0.02    -0.06  -0.00  -0.03    -0.01   0.00   0.01
   134   1    -0.02  -0.05  -0.06    -0.03  -0.04  -0.06    -0.00  -0.01  -0.01
   135   1     0.02  -0.02  -0.03     0.03  -0.03  -0.02     0.00  -0.00  -0.00
   136   1    -0.04  -0.01  -0.06    -0.04  -0.01  -0.07    -0.01  -0.00  -0.00
   137   1    -0.04  -0.02  -0.07    -0.04  -0.02  -0.08    -0.00  -0.00  -0.00
   138   1     0.02  -0.01  -0.03     0.01   0.01  -0.04    -0.01   0.02  -0.00
   139   1     0.02  -0.03  -0.00     0.01  -0.01  -0.02    -0.01   0.03  -0.01
   140   1     0.01  -0.06  -0.00     0.01  -0.07  -0.01    -0.00   0.01   0.01
   141   1    -0.02  -0.00   0.05    -0.02   0.02   0.08    -0.01   0.02   0.02
   142   1     0.01  -0.06  -0.01     0.01  -0.07  -0.01    -0.00   0.01   0.01
   143  17    -0.00  -0.01   0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
                    103                    104                    105
                      A                      A                      A
 Frequencies --    531.8641               534.8537               541.7523
 Red. masses --      4.7160                 5.4736                 5.0627
 Frc consts  --      0.7860                 0.9226                 0.8755
 IR Inten    --      0.8801                 9.4534                21.0777
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.01     0.01   0.02  -0.04     0.01  -0.02  -0.00
     2   6    -0.01  -0.02   0.00    -0.02   0.03   0.01     0.02  -0.03  -0.02
     3   6     0.02   0.00   0.02    -0.03   0.00  -0.00     0.02  -0.02   0.04
     4   6     0.01   0.01   0.01    -0.04  -0.01  -0.04     0.01   0.00   0.02
     5   6    -0.01   0.01  -0.02    -0.01  -0.02   0.01     0.02  -0.01   0.00
     6   6    -0.03  -0.02   0.03     0.02   0.01   0.00     0.01  -0.02  -0.00
     7   6     0.02  -0.00  -0.01     0.04  -0.01   0.01    -0.01  -0.01   0.00
     8   6     0.01  -0.01  -0.00     0.05  -0.02  -0.02    -0.00   0.00  -0.03
     9   6     0.01  -0.00   0.00     0.02  -0.00   0.00    -0.04   0.06   0.01
    10   6     0.01   0.01  -0.00    -0.03   0.00  -0.01    -0.00   0.02  -0.01
    11   6    -0.00   0.02  -0.00     0.03   0.03   0.02    -0.01  -0.01   0.01
    12   6    -0.01   0.02   0.01     0.01   0.04  -0.02     0.01  -0.00  -0.02
    13   6    -0.02   0.02  -0.03    -0.01   0.03   0.01    -0.00  -0.01   0.01
    14   6    -0.02  -0.01   0.01     0.01  -0.02   0.00     0.01  -0.01  -0.01
    15   7    -0.00  -0.00   0.01     0.03   0.03   0.04    -0.02   0.05  -0.04
    16   6    -0.01  -0.00   0.00    -0.00  -0.01  -0.04     0.01  -0.01   0.00
    17   6     0.00  -0.00  -0.00    -0.03  -0.00  -0.02     0.01   0.00   0.06
    18   7     0.01   0.00  -0.01    -0.03   0.03   0.02     0.00  -0.03  -0.04
    19   6    -0.01   0.00  -0.00     0.01  -0.01   0.01    -0.02  -0.05  -0.02
    20   6    -0.01   0.01   0.00     0.01  -0.02   0.01     0.01  -0.01   0.07
    21   6    -0.00   0.01   0.00    -0.01  -0.02   0.00    -0.02  -0.03  -0.03
    22   6    -0.00   0.00   0.00    -0.01  -0.01   0.02    -0.01  -0.02   0.04
    23   6     0.04   0.04  -0.06     0.00   0.00  -0.01     0.00  -0.01   0.01
    24   6     0.01  -0.06   0.05     0.00   0.01  -0.01    -0.00   0.03  -0.03
    25   6    -0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.09   0.06  -0.17
    26   6     0.01  -0.02  -0.01    -0.02  -0.02   0.01    -0.00   0.00   0.01
    27   6    -0.01   0.03  -0.02    -0.02   0.00  -0.02     0.00  -0.01   0.00
    28   6    -0.01  -0.03   0.06    -0.01   0.02  -0.03     0.01   0.02  -0.03
    29   6     0.01   0.03  -0.02     0.00   0.01  -0.02     0.00  -0.01   0.00
    30   6     0.02  -0.01  -0.01     0.00  -0.02   0.02    -0.00   0.01   0.01
    31   6     0.01   0.02   0.01     0.00  -0.01   0.02    -0.01   0.01  -0.00
    32   6    -0.02  -0.02   0.03     0.02  -0.00  -0.01    -0.02   0.01  -0.01
    33   6     0.02   0.02  -0.07     0.01   0.01  -0.02    -0.02   0.01   0.01
    34   6    -0.01  -0.03   0.02     0.00   0.01  -0.02    -0.01   0.01  -0.00
    35   6     0.02   0.01   0.01    -0.01  -0.01   0.02    -0.00   0.02   0.00
    36   6     0.00  -0.00  -0.00     0.01   0.01  -0.00     0.02   0.04   0.04
    37   6     0.00   0.00   0.00     0.01   0.00  -0.00     0.04  -0.02   0.03
    38   6    -0.00   0.00  -0.00     0.01   0.00  -0.00    -0.06   0.02  -0.19
    39   6     0.00   0.00   0.00     0.01  -0.00  -0.00     0.03  -0.03   0.03
    40   6     0.00  -0.00  -0.00     0.01   0.00  -0.00     0.01   0.03   0.04
    41   7    -0.01  -0.01   0.01     0.03   0.03  -0.01    -0.01   0.00   0.00
    42   7    -0.00   0.02  -0.01    -0.02   0.05  -0.01    -0.00   0.02  -0.00
    43   7     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.03   0.07  -0.04
    44   6    -0.10   0.03  -0.06    -0.11   0.04  -0.05    -0.01   0.01   0.00
    45   6    -0.08  -0.04  -0.03    -0.08  -0.05  -0.03    -0.01  -0.01  -0.00
    46   6     0.08   0.03   0.04     0.10   0.02   0.04     0.01  -0.00   0.00
    47   6     0.07   0.09   0.01     0.06   0.12   0.01    -0.00   0.02   0.00
    48   6     0.04  -0.11   0.04    -0.02   0.12  -0.03    -0.01  -0.01   0.00
    49   6     0.08  -0.06  -0.00    -0.09   0.05   0.00     0.01  -0.00   0.00
    50   6    -0.07   0.07  -0.01     0.06  -0.07   0.01     0.00  -0.00  -0.00
    51   6    -0.12   0.02   0.03     0.12   0.00  -0.02    -0.00  -0.00  -0.00
    52   6     0.01  -0.00   0.00     0.00   0.00  -0.00    -0.06   0.07  -0.01
    53   6     0.01   0.00  -0.00    -0.00   0.00  -0.00    -0.03  -0.05   0.03
    54   6    -0.01  -0.00   0.00    -0.01  -0.00   0.00     0.05  -0.02   0.00
    55   6    -0.00  -0.01   0.01    -0.00  -0.01   0.00    -0.01   0.08  -0.03
    56   6     0.10  -0.06   0.06     0.12  -0.08   0.07     0.02  -0.01   0.01
    57   6     0.05  -0.08   0.03     0.08  -0.09   0.06     0.01  -0.01   0.02
    58   6    -0.01   0.02  -0.00     0.00   0.03  -0.01     0.01   0.00  -0.00
    59   6     0.05   0.12  -0.01     0.06   0.15  -0.00     0.01   0.02   0.00
    60   6    -0.10   0.06  -0.06    -0.11   0.07  -0.06    -0.02   0.01  -0.01
    61   6    -0.00   0.02  -0.00    -0.01   0.02  -0.01    -0.00   0.00  -0.01
    62   6     0.00  -0.10   0.01    -0.02  -0.13   0.03    -0.01  -0.02   0.01
    63   6    -0.05  -0.12   0.00    -0.05  -0.14  -0.00    -0.00  -0.02  -0.00
    64   6    -0.01   0.13  -0.04     0.00  -0.14   0.04     0.00   0.00  -0.00
    65   6     0.04   0.09  -0.04    -0.03  -0.11   0.05     0.00   0.00  -0.00
    66   6    -0.01  -0.02   0.00     0.02   0.01  -0.01     0.00   0.00  -0.00
    67   6    -0.13  -0.02   0.04     0.14   0.01  -0.04     0.00   0.00  -0.00
    68   6     0.00  -0.13   0.05    -0.00   0.14  -0.05    -0.00  -0.02   0.01
    69   6    -0.02  -0.01   0.00     0.01   0.02  -0.02    -0.00  -0.01   0.00
    70   6     0.09   0.05  -0.03    -0.11  -0.05   0.05     0.01   0.00  -0.01
    71   6     0.13   0.01  -0.04    -0.14  -0.02   0.04     0.02   0.00  -0.00
    72   6    -0.01   0.00  -0.00    -0.01   0.00  -0.00     0.09  -0.06   0.02
    73   6    -0.01   0.00  -0.00    -0.01   0.00  -0.00     0.11  -0.03   0.06
    74   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02   0.01  -0.04
    75   6    -0.00  -0.01   0.01    -0.00  -0.01   0.01     0.03   0.08  -0.06
    76   6     0.01  -0.00   0.00     0.00   0.00  -0.00    -0.11   0.04  -0.02
    77   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.04  -0.01  -0.02
    78   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00    -0.01  -0.08   0.11
    79   6     0.00   0.01  -0.01    -0.00   0.00  -0.00    -0.01  -0.10   0.07
    80   8    -0.00   0.01   0.00     0.01   0.01   0.02     0.06  -0.08  -0.00
    81  15    -0.00  -0.02  -0.00    -0.01  -0.01  -0.02     0.01   0.14  -0.05
    82   8    -0.00   0.01  -0.00    -0.03   0.02  -0.01    -0.02  -0.06   0.03
    83   8     0.01  -0.00  -0.02     0.02  -0.01  -0.02    -0.04   0.00   0.09
    84   6     0.00   0.00   0.00     0.01  -0.00   0.00    -0.00  -0.02  -0.01
    85   6     0.00  -0.00   0.00     0.01   0.00   0.01    -0.00   0.00  -0.01
    86   6    -0.00   0.00   0.00    -0.00  -0.01   0.01     0.01  -0.05   0.01
    87   6    -0.00   0.01   0.00    -0.00   0.01   0.00     0.01  -0.05  -0.03
    88   1    -0.00  -0.05  -0.02    -0.03   0.07   0.06     0.02  -0.04  -0.06
    89   1    -0.02   0.04  -0.06     0.00  -0.05   0.06     0.02  -0.02  -0.01
    90   1    -0.05  -0.01   0.04     0.04   0.01   0.05     0.01  -0.02  -0.01
    91   1     0.01   0.04   0.01     0.04   0.06   0.07    -0.03  -0.02   0.03
    92   1    -0.04   0.03  -0.04    -0.05   0.02   0.04    -0.01  -0.02   0.05
    93   1    -0.05  -0.04   0.03    -0.02  -0.06   0.03    -0.00  -0.02   0.02
    94   1    -0.00  -0.00  -0.01     0.01   0.02   0.07    -0.05  -0.07  -0.07
    95   1    -0.01   0.01   0.00     0.02  -0.00   0.04     0.02   0.01   0.11
    96   1    -0.01   0.00   0.00     0.02   0.01   0.07    -0.01  -0.04   0.01
    97   1    -0.00   0.04  -0.09    -0.02  -0.05   0.03     0.00  -0.03   0.06
    98   1    -0.03   0.11  -0.12    -0.02  -0.00  -0.01     0.01  -0.05   0.05
    99   1     0.02   0.13  -0.10     0.00   0.01  -0.01    -0.00  -0.05   0.04
   100   1     0.04   0.06  -0.08    -0.00  -0.04   0.04    -0.01  -0.03   0.06
   101   1    -0.04  -0.01   0.10    -0.01  -0.03   0.05    -0.01   0.03  -0.02
   102   1    -0.09  -0.07   0.13     0.01  -0.01  -0.01    -0.01   0.02  -0.02
   103   1    -0.05  -0.10   0.13    -0.00   0.00  -0.01     0.00   0.01  -0.02
   104   1    -0.00  -0.04   0.10    -0.02  -0.02   0.05    -0.01   0.03  -0.01
   105   1     0.00  -0.00   0.00     0.01   0.01  -0.00     0.12  -0.01   0.30
   106   1     0.01  -0.00   0.01     0.01   0.00  -0.00     0.12  -0.11   0.29
   107   1     0.00  -0.00   0.01     0.01  -0.00  -0.00     0.18  -0.09   0.27
   108   1     0.00  -0.00   0.01     0.01   0.01  -0.01     0.15  -0.00   0.29
   109   1     0.14  -0.11   0.09     0.16  -0.13   0.09     0.02  -0.02   0.00
   110   1     0.02  -0.15   0.03     0.04  -0.17   0.07     0.01  -0.02   0.02
   111   1    -0.12   0.00  -0.04    -0.13   0.01  -0.08    -0.01  -0.00  -0.02
   112   1     0.01   0.17  -0.03     0.03   0.19  -0.02     0.01   0.02  -0.00
   113   1    -0.10   0.13  -0.07    -0.11   0.11  -0.08    -0.02   0.01  -0.01
   114   1     0.09   0.09   0.04     0.10   0.09   0.01     0.02   0.01  -0.01
   115   1     0.06  -0.13   0.05     0.05  -0.16   0.07    -0.00  -0.03   0.02
   116   1    -0.06  -0.19   0.02    -0.05  -0.20   0.00    -0.00  -0.03  -0.01
   117   1     0.01   0.20  -0.08    -0.02  -0.20   0.06     0.00  -0.00   0.00
   118   1     0.12   0.10  -0.06    -0.11  -0.11   0.08    -0.00   0.00  -0.00
   119   1     0.06  -0.13   0.01    -0.07   0.12  -0.04     0.00   0.00   0.00
   120   1    -0.16  -0.08   0.06     0.15   0.05  -0.06     0.00   0.01   0.00
   121   1    -0.05  -0.16   0.07     0.03   0.16  -0.07    -0.00  -0.02   0.00
   122   1    -0.13   0.04   0.00     0.13  -0.05  -0.03    -0.02   0.00   0.01
   123   1     0.08   0.13  -0.06    -0.10  -0.12   0.08     0.01   0.01  -0.01
   124   1     0.19   0.04  -0.07    -0.20  -0.05   0.06     0.02   0.00  -0.01
   125   1    -0.01   0.01  -0.00    -0.01   0.00  -0.00     0.10  -0.08   0.01
   126   1    -0.00   0.01  -0.01    -0.00   0.01  -0.01     0.09  -0.05   0.11
   127   1     0.01   0.00  -0.00     0.01  -0.00   0.00    -0.10  -0.04  -0.05
   128   1     0.00  -0.01   0.01     0.00  -0.01   0.01     0.04   0.06  -0.07
   129   1     0.01  -0.01   0.01     0.00   0.00   0.00    -0.11   0.02  -0.02
   130   1    -0.01  -0.01   0.01    -0.00   0.00  -0.00     0.06   0.02  -0.11
   131   1    -0.01   0.01  -0.01    -0.00   0.00  -0.00     0.05  -0.08   0.14
   132   1     0.00   0.01  -0.01    -0.00   0.00  -0.00    -0.01  -0.12   0.06
   133   1     0.00   0.00   0.01     0.02   0.00   0.01     0.02  -0.02  -0.03
   134   1     0.00   0.00   0.00     0.01   0.01   0.02    -0.00   0.02   0.00
   135   1     0.00   0.00   0.00    -0.01   0.01   0.01    -0.01   0.00  -0.01
   136   1     0.00   0.00   0.01     0.01   0.00   0.03     0.01   0.00  -0.00
   137   1     0.00   0.00   0.01     0.02   0.01   0.03    -0.00   0.01  -0.00
   138   1    -0.00   0.01   0.01    -0.01   0.00   0.02     0.02  -0.07  -0.01
   139   1    -0.00   0.01  -0.00    -0.01   0.01   0.00     0.02  -0.09   0.02
   140   1    -0.00   0.02   0.00    -0.01   0.03   0.00     0.02  -0.07  -0.03
   141   1     0.00   0.01  -0.00     0.01  -0.00  -0.03     0.01  -0.05  -0.02
   142   1    -0.00   0.02   0.01    -0.00   0.03   0.01     0.02  -0.06  -0.03
   143  17     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.01
                    106                    107                    108
                      A                      A                      A
 Frequencies --    546.3819               549.9283               556.3756
 Red. masses --      4.2825                 5.3873                 4.3580
 Frc consts  --      0.7532                 0.9599                 0.7948
 IR Inten    --     29.7116                80.7637                 7.4708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.03    -0.03  -0.05  -0.02    -0.04  -0.05  -0.01
     2   6     0.02   0.03  -0.00    -0.02  -0.06   0.02     0.02  -0.06   0.01
     3   6    -0.01  -0.00  -0.07     0.04   0.00   0.02     0.05   0.00   0.05
     4   6    -0.02  -0.01  -0.03     0.03   0.02  -0.01     0.09   0.02   0.03
     5   6     0.02  -0.01   0.04     0.02   0.02  -0.04     0.01   0.03  -0.02
     6   6     0.04   0.02  -0.05    -0.04  -0.04   0.05    -0.05  -0.05   0.03
     7   6     0.00   0.00   0.03     0.06   0.00  -0.02    -0.10   0.02  -0.00
     8   6     0.00   0.00   0.02     0.02  -0.02  -0.01    -0.09   0.06  -0.04
     9   6    -0.02   0.00   0.01    -0.05   0.02   0.01    -0.05   0.05   0.00
    10   6    -0.05  -0.02   0.03    -0.04  -0.02   0.03     0.10   0.03  -0.00
    11   6     0.02  -0.01   0.02     0.02   0.06   0.01    -0.06  -0.10  -0.01
    12   6     0.03   0.00  -0.00    -0.00   0.05   0.04     0.02  -0.10  -0.05
    13   6     0.02  -0.01   0.06     0.01   0.05  -0.02     0.02  -0.11   0.02
    14   6     0.06   0.01  -0.03     0.02  -0.03   0.01    -0.03   0.05  -0.02
    15   7    -0.00   0.00  -0.08    -0.02   0.02  -0.10    -0.07  -0.01  -0.01
    16   6     0.03   0.01   0.01     0.03  -0.00   0.04    -0.03  -0.03   0.06
    17   6    -0.01   0.00   0.01     0.00  -0.03   0.03     0.07  -0.05   0.03
    18   7    -0.05  -0.05   0.04    -0.03  -0.09   0.04     0.12  -0.05  -0.03
    19   6     0.02  -0.00   0.03     0.00  -0.03   0.04    -0.02   0.00   0.00
    20   6    -0.00  -0.01  -0.03    -0.04   0.02  -0.03    -0.05   0.08  -0.03
    21   6    -0.01   0.01   0.01    -0.03   0.04   0.00     0.01   0.07  -0.02
    22   6    -0.02   0.01  -0.03    -0.04   0.03  -0.04     0.02   0.04  -0.03
    23   6    -0.06  -0.07   0.11     0.07   0.07  -0.10     0.05   0.06  -0.08
    24   6     0.00   0.10  -0.09     0.02  -0.08   0.06    -0.03   0.12  -0.09
    25   6     0.04  -0.03   0.09     0.04  -0.04   0.09     0.03  -0.02   0.02
    26   6    -0.03   0.01   0.02     0.00  -0.02  -0.03    -0.00   0.04   0.03
    27   6    -0.02  -0.03   0.02    -0.03   0.02  -0.02     0.04  -0.04   0.03
    28   6    -0.01   0.07  -0.12    -0.03  -0.06   0.08     0.04   0.08  -0.11
    29   6    -0.00  -0.04   0.01    -0.02   0.02  -0.02     0.02  -0.03   0.04
    30   6    -0.02  -0.00   0.02     0.01  -0.03  -0.04    -0.02   0.06   0.04
    31   6    -0.02  -0.02  -0.04     0.02   0.03   0.03     0.02   0.03   0.02
    32   6     0.02   0.03  -0.02    -0.03  -0.02   0.02    -0.02  -0.02   0.02
    33   6    -0.04  -0.04   0.13     0.03   0.04  -0.13     0.02   0.03  -0.09
    34   6     0.02   0.03  -0.02    -0.03  -0.02   0.03    -0.02  -0.02   0.02
    35   6    -0.02  -0.01  -0.03     0.02   0.03   0.03     0.02   0.03   0.02
    36   6     0.00  -0.01  -0.01     0.01  -0.02  -0.01    -0.01  -0.04  -0.00
    37   6    -0.01   0.01  -0.02    -0.01   0.02  -0.03    -0.02  -0.01  -0.00
    38   6     0.04  -0.01   0.09     0.05   0.00   0.09    -0.01  -0.00   0.04
    39   6    -0.01   0.01  -0.02    -0.00   0.02  -0.03    -0.03   0.01  -0.00
    40   6     0.00  -0.01  -0.02     0.02  -0.03  -0.02    -0.01  -0.01   0.00
    41   7    -0.04  -0.04   0.01     0.03   0.04  -0.02     0.02   0.02  -0.02
    42   7    -0.03   0.05  -0.01    -0.00  -0.04   0.00     0.00   0.05  -0.01
    43   7     0.02  -0.03   0.02     0.02  -0.03   0.02    -0.01  -0.01   0.01
    44   6    -0.02   0.03   0.01     0.01  -0.03  -0.01    -0.01   0.04   0.02
    45   6     0.00  -0.02   0.00     0.00   0.02   0.00     0.00  -0.02  -0.00
    46   6     0.02  -0.02   0.01    -0.00   0.02   0.00    -0.00  -0.02  -0.00
    47   6    -0.02   0.04   0.01     0.02  -0.02  -0.01    -0.03   0.02   0.02
    48   6    -0.03  -0.04  -0.01     0.03   0.02   0.01     0.02   0.01   0.01
    49   6     0.03   0.01  -0.00    -0.02  -0.02   0.00    -0.01  -0.01   0.00
    50   6     0.01   0.02  -0.00    -0.01  -0.02   0.00    -0.01  -0.01   0.00
    51   6    -0.03  -0.03  -0.01     0.02   0.04   0.01     0.01   0.03   0.01
    52   6     0.01  -0.03   0.00     0.00  -0.03   0.00     0.00  -0.01   0.00
    53   6    -0.00   0.02  -0.01    -0.01   0.01  -0.01     0.00   0.01  -0.00
    54   6    -0.02   0.01  -0.00    -0.01   0.01  -0.00     0.01   0.01  -0.01
    55   6     0.01  -0.03   0.01     0.02  -0.03   0.00     0.00  -0.00  -0.01
    56   6     0.04  -0.04   0.01    -0.01   0.02   0.00     0.01  -0.02  -0.01
    57   6     0.04  -0.03   0.05    -0.02   0.01  -0.03     0.02  -0.01   0.04
    58   6     0.02   0.02  -0.01    -0.02  -0.00   0.01     0.02   0.00  -0.01
    59   6     0.02   0.05   0.01    -0.01  -0.01  -0.01     0.01   0.01   0.01
    60   6    -0.04   0.01  -0.01     0.03  -0.02   0.01    -0.04   0.02  -0.01
    61   6    -0.01  -0.00  -0.02     0.01  -0.00   0.02    -0.01   0.00  -0.03
    62   6    -0.03  -0.05   0.02     0.02   0.04  -0.02    -0.03  -0.05   0.03
    63   6     0.00  -0.05  -0.00     0.00   0.03   0.01     0.00  -0.04  -0.01
    64   6     0.01   0.05  -0.00    -0.01  -0.04   0.00    -0.01  -0.02  -0.00
    65   6    -0.00   0.05  -0.04     0.00  -0.05   0.04     0.01  -0.03   0.03
    66   6    -0.02   0.01   0.02     0.02  -0.01  -0.02     0.01  -0.01  -0.02
    67   6    -0.05  -0.00   0.01     0.04   0.00  -0.00     0.02   0.00   0.00
    68   6     0.00  -0.05   0.01    -0.00   0.03  -0.00    -0.00   0.02   0.00
    69   6     0.01  -0.02   0.02    -0.01   0.01  -0.02    -0.01   0.01  -0.02
    70   6     0.06   0.01  -0.04    -0.04  -0.00   0.03    -0.03   0.00   0.03
    71   6     0.05   0.02  -0.01    -0.03  -0.02   0.00    -0.02  -0.01  -0.00
    72   6    -0.03   0.02  -0.01    -0.03   0.02  -0.01     0.01   0.00   0.00
    73   6    -0.04   0.01  -0.02    -0.04   0.01  -0.02    -0.00  -0.00  -0.00
    74   6    -0.01  -0.00   0.02    -0.01  -0.00   0.02    -0.00   0.00   0.00
    75   6    -0.01  -0.03   0.02    -0.01  -0.03   0.02    -0.00   0.00  -0.01
    76   6     0.03  -0.01   0.00     0.02  -0.01  -0.00     0.02  -0.01   0.00
    77   6     0.02   0.01   0.01     0.01   0.01   0.01     0.01  -0.00   0.01
    78   6     0.01   0.02  -0.04     0.01   0.02  -0.03     0.00   0.01  -0.02
    79   6    -0.00   0.03  -0.02    -0.00   0.02  -0.01     0.00   0.01  -0.01
    80   8     0.03  -0.07  -0.01     0.07  -0.10  -0.01     0.00   0.01  -0.02
    81  15     0.00   0.11  -0.02     0.01   0.18  -0.05     0.02  -0.01   0.01
    82   8     0.00  -0.05   0.02    -0.02  -0.08   0.04     0.03  -0.00   0.01
    83   8    -0.04   0.01   0.08    -0.06   0.01   0.12    -0.01  -0.01  -0.01
    84   6    -0.00  -0.02  -0.02    -0.00  -0.02  -0.02    -0.01   0.01   0.01
    85   6    -0.01   0.00  -0.01    -0.01   0.00  -0.01    -0.00  -0.00  -0.01
    86   6     0.00  -0.02  -0.01     0.01  -0.05  -0.00    -0.00   0.00   0.00
    87   6     0.01  -0.04  -0.02     0.02  -0.07  -0.04    -0.00   0.00   0.00
    88   1     0.01   0.06   0.06     0.00  -0.10   0.02     0.04  -0.15  -0.07
    89   1     0.04  -0.04   0.11    -0.00   0.06  -0.06    -0.02   0.11  -0.08
    90   1     0.07   0.01  -0.07    -0.09  -0.03   0.10    -0.11  -0.04   0.02
    91   1     0.03  -0.01  -0.01     0.04   0.08   0.03    -0.14  -0.20  -0.02
    92   1     0.03  -0.01   0.07    -0.04   0.06  -0.05     0.10  -0.13   0.08
    93   1     0.09   0.04  -0.08    -0.02  -0.06   0.04     0.03   0.14   0.01
    94   1     0.01  -0.00   0.03     0.01  -0.05   0.00     0.06  -0.03  -0.05
    95   1     0.01  -0.01  -0.08    -0.03   0.03  -0.10    -0.05   0.08  -0.06
    96   1    -0.02   0.01  -0.04    -0.10   0.02  -0.06    -0.09   0.03  -0.06
    97   1    -0.03  -0.13   0.18    -0.02   0.04  -0.15     0.03  -0.06   0.23
    98   1     0.02  -0.18   0.17    -0.05   0.13  -0.13     0.08  -0.20   0.21
    99   1    -0.02  -0.19   0.16     0.01   0.15  -0.11    -0.01  -0.23   0.18
   100   1    -0.05  -0.14   0.17     0.02   0.06  -0.14    -0.04  -0.09   0.20
   101   1     0.06   0.05  -0.21    -0.07  -0.02   0.21    -0.05  -0.01   0.15
   102   1     0.13   0.11  -0.19    -0.15  -0.11   0.20    -0.12  -0.08   0.15
   103   1     0.08   0.15  -0.19    -0.09  -0.15   0.20    -0.07  -0.12   0.16
   104   1     0.03   0.08  -0.21    -0.04  -0.06   0.21    -0.01  -0.04   0.15
   105   1    -0.04   0.01  -0.15    -0.03   0.01  -0.16    -0.04  -0.02  -0.05
   106   1    -0.06   0.06  -0.16    -0.06   0.07  -0.18    -0.03   0.03  -0.06
   107   1    -0.08   0.05  -0.15    -0.09   0.06  -0.16    -0.06   0.03  -0.05
   108   1    -0.06   0.01  -0.14    -0.05  -0.00  -0.15    -0.06  -0.03  -0.04
   109   1     0.04  -0.03  -0.00    -0.01   0.01   0.02     0.01  -0.01  -0.04
   110   1     0.03  -0.06   0.06    -0.01   0.01  -0.04     0.01  -0.01   0.05
   111   1    -0.03   0.00  -0.06    -0.01   0.00   0.04     0.02  -0.01  -0.06
   112   1     0.04   0.04   0.00    -0.02   0.00  -0.00     0.03  -0.02   0.00
   113   1    -0.03  -0.01  -0.02     0.03  -0.00   0.02    -0.03  -0.01  -0.02
   114   1     0.04   0.02  -0.04    -0.03  -0.02   0.03     0.04   0.02  -0.06
   115   1    -0.02  -0.06   0.04     0.01   0.04  -0.04    -0.02  -0.05   0.05
   116   1     0.01  -0.04  -0.02    -0.00   0.03   0.02     0.01  -0.03  -0.03
   117   1     0.01   0.04   0.02    -0.01  -0.03  -0.02    -0.01  -0.01  -0.02
   118   1     0.01   0.05  -0.06    -0.01  -0.04   0.06     0.00  -0.02   0.04
   119   1     0.02  -0.02   0.05    -0.02   0.02  -0.05    -0.01   0.00  -0.05
   120   1    -0.03   0.02   0.01     0.03  -0.02  -0.01     0.01  -0.02  -0.00
   121   1     0.02  -0.04   0.01    -0.03   0.02  -0.01    -0.02   0.00  -0.00
   122   1    -0.03   0.02   0.06     0.01  -0.02  -0.05     0.00  -0.01  -0.04
   123   1     0.05   0.02  -0.06    -0.04  -0.01   0.05    -0.02   0.00   0.04
   124   1     0.05   0.02   0.01    -0.02  -0.02  -0.02    -0.01  -0.01  -0.02
   125   1    -0.02   0.03   0.00    -0.02   0.02   0.01     0.01   0.00   0.01
   126   1    -0.04   0.01  -0.04    -0.04   0.01  -0.04    -0.00  -0.01  -0.00
   127   1     0.03   0.02   0.02     0.03   0.02   0.03    -0.01   0.01   0.01
   128   1    -0.02  -0.02   0.02    -0.02  -0.01   0.02    -0.01   0.01  -0.01
   129   1     0.03   0.01  -0.00     0.02   0.01  -0.01     0.01  -0.00   0.00
   130   1    -0.01   0.00   0.04    -0.01   0.01   0.03    -0.01  -0.00   0.02
   131   1    -0.01   0.02  -0.05     0.00   0.01  -0.04    -0.01   0.01  -0.02
   132   1     0.00   0.03  -0.00    -0.00   0.02   0.01     0.00   0.01  -0.00
   133   1     0.01  -0.02  -0.03     0.02  -0.03  -0.05    -0.01   0.01   0.00
   134   1    -0.00  -0.00  -0.01    -0.00   0.01  -0.00    -0.01   0.00  -0.00
   135   1    -0.01   0.00  -0.01    -0.02   0.01  -0.02     0.03  -0.02   0.01
   136   1    -0.00   0.00  -0.01     0.00   0.00  -0.01    -0.01  -0.01  -0.03
   137   1    -0.01   0.00  -0.01    -0.01   0.01  -0.01    -0.01  -0.01  -0.03
   138   1     0.02  -0.05  -0.02     0.03  -0.09  -0.03     0.00   0.01  -0.00
   139   1     0.02  -0.07   0.01     0.03  -0.11   0.02    -0.00   0.00   0.01
   140   1     0.02  -0.08  -0.02     0.03  -0.11  -0.04    -0.00   0.01   0.00
   141   1    -0.00  -0.03   0.02     0.00  -0.05   0.01     0.00   0.00  -0.01
   142   1     0.02  -0.07  -0.03     0.03  -0.10  -0.05    -0.00   0.01   0.00
   143  17    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.00   0.00   0.01
                    109                    110                    111
                      A                      A                      A
 Frequencies --    569.6596               577.8138               577.8618
 Red. masses --      6.9107                 4.2479                 4.2691
 Frc consts  --      1.3213                 0.8356                 0.8399
 IR Inten    --     55.3199                 2.3818                 1.5607
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.10    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00  -0.01  -0.06    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6     0.00   0.02   0.17    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.02  -0.01   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.01  -0.00   0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.02  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.07   0.03   0.10    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.02   0.03  -0.06    -0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6    -0.01   0.03  -0.21    -0.00   0.00   0.01     0.00   0.00   0.00
    10   6     0.02  -0.03  -0.20     0.01   0.00   0.00     0.00   0.01  -0.00
    11   6    -0.01  -0.00  -0.04     0.00  -0.01   0.00    -0.00  -0.00  -0.00
    12   6     0.06  -0.01  -0.10     0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    13   6     0.04  -0.02  -0.00     0.00  -0.01   0.00    -0.00  -0.00   0.00
    14   6    -0.01   0.02   0.06    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   7     0.03   0.21   0.24    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    16   6    -0.02  -0.11   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    17   6     0.01  -0.13  -0.01     0.01  -0.00   0.00    -0.00   0.00   0.00
    18   7     0.11  -0.03   0.08     0.01  -0.00  -0.00    -0.00   0.01  -0.01
    19   6    -0.03  -0.11   0.02    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   6    -0.11   0.09   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    21   6    -0.07   0.08  -0.01     0.00   0.00  -0.00     0.00  -0.01  -0.00
    22   6    -0.07   0.05   0.01     0.00   0.00  -0.00    -0.00  -0.01   0.00
    23   6    -0.03  -0.03   0.09     0.00   0.01  -0.00    -0.01  -0.01   0.00
    24   6    -0.01  -0.03   0.07    -0.02   0.04  -0.00    -0.00   0.01  -0.00
    25   6     0.01  -0.04   0.03     0.01  -0.01   0.00    -0.01   0.03  -0.01
    26   6    -0.02   0.02   0.02    -0.04   0.01   0.03    -0.01   0.00   0.01
    27   6     0.00   0.02  -0.02     0.00  -0.04  -0.04     0.00  -0.01  -0.01
    28   6    -0.00  -0.05   0.04     0.02   0.01  -0.06     0.01   0.00  -0.02
    29   6    -0.01   0.01  -0.03     0.05  -0.02  -0.03     0.01  -0.00  -0.01
    30   6    -0.02   0.01   0.02    -0.00   0.03   0.04    -0.00   0.01   0.01
    31   6     0.00   0.01   0.02     0.01   0.00   0.01    -0.01  -0.00  -0.01
    32   6     0.01   0.02  -0.04     0.00  -0.01  -0.01    -0.00   0.02   0.01
    33   6    -0.04  -0.04   0.07     0.00  -0.00  -0.01    -0.00   0.00   0.02
    34   6     0.02   0.01  -0.04    -0.01  -0.00  -0.01     0.01   0.01   0.01
    35   6     0.00   0.00   0.02     0.00   0.00   0.00    -0.00  -0.01  -0.01
    36   6     0.02  -0.02  -0.01    -0.00  -0.01  -0.00     0.01   0.04   0.02
    37   6     0.01   0.03  -0.02    -0.01   0.01   0.01     0.03  -0.03  -0.03
    38   6     0.03   0.02   0.03     0.00   0.00   0.01    -0.01  -0.02  -0.05
    39   6     0.01   0.01  -0.02     0.00   0.01   0.00    -0.02  -0.05  -0.01
    40   6     0.03  -0.04  -0.01     0.00  -0.00  -0.01    -0.02   0.02   0.03
    41   7    -0.03  -0.03   0.03     0.01   0.01   0.04    -0.02  -0.02  -0.08
    42   7     0.00  -0.03   0.01    -0.09   0.03   0.22    -0.02   0.01   0.06
    43   7     0.02   0.01   0.01    -0.00  -0.03  -0.04     0.02   0.14   0.17
    44   6    -0.01  -0.02  -0.00     0.06  -0.03  -0.15     0.01  -0.01  -0.04
    45   6    -0.01   0.01  -0.01    -0.01   0.01   0.01    -0.00   0.00   0.00
    46   6     0.01   0.02  -0.00    -0.01   0.01   0.02    -0.00   0.00   0.00
    47   6     0.02  -0.01   0.01     0.07  -0.02  -0.14     0.02  -0.01  -0.04
    48   6    -0.04  -0.00  -0.01    -0.01  -0.01  -0.02     0.01   0.01   0.05
    49   6     0.00   0.02  -0.01     0.00   0.00   0.00    -0.00  -0.01  -0.01
    50   6     0.02   0.01  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.01
    51   6     0.00  -0.04  -0.01    -0.01  -0.01  -0.02     0.01   0.02   0.05
    52   6    -0.01  -0.01  -0.01     0.00   0.02   0.03    -0.02  -0.10  -0.11
    53   6    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.02   0.01
    54   6    -0.01   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.02   0.01
    55   6     0.01  -0.02  -0.01     0.00   0.02   0.03    -0.00  -0.10  -0.12
    56   6     0.00   0.01   0.00    -0.04   0.01   0.09    -0.01   0.00   0.02
    57   6    -0.02   0.01  -0.01     0.06  -0.03  -0.15     0.02  -0.01  -0.04
    58   6    -0.01  -0.01  -0.00    -0.06   0.02   0.13    -0.02   0.01   0.03
    59   6    -0.00  -0.01  -0.00     0.05  -0.01  -0.09     0.01  -0.00  -0.02
    60   6     0.01  -0.01   0.01     0.03  -0.01  -0.10     0.01  -0.00  -0.02
    61   6     0.01  -0.00   0.01    -0.06   0.03   0.13    -0.02   0.01   0.03
    62   6     0.02   0.03  -0.00     0.07  -0.03  -0.14     0.02  -0.01  -0.04
    63   6    -0.01   0.02  -0.00    -0.04   0.01   0.09    -0.01   0.00   0.02
    64   6     0.02   0.01   0.00     0.00   0.00   0.02    -0.01  -0.01  -0.03
    65   6    -0.01   0.03  -0.02    -0.01  -0.01  -0.02     0.02   0.02   0.05
    66   6    -0.02   0.01   0.01     0.01   0.01   0.02    -0.01  -0.02  -0.05
    67   6    -0.02  -0.00  -0.00    -0.00  -0.01  -0.02     0.01   0.01   0.03
    68   6     0.00  -0.02  -0.00    -0.00  -0.00  -0.02     0.01   0.01   0.03
    69   6     0.01  -0.01   0.01     0.01   0.01   0.02    -0.01  -0.02  -0.05
    70   6     0.03  -0.01  -0.02    -0.01  -0.01  -0.02     0.01   0.02   0.05
    71   6     0.01   0.02   0.00     0.00   0.00   0.02    -0.01  -0.01  -0.03
    72   6    -0.01   0.01   0.00    -0.00  -0.01  -0.02     0.01   0.06   0.07
    73   6    -0.02  -0.01  -0.02     0.00   0.02   0.03    -0.01  -0.10  -0.11
    74   6    -0.00   0.00   0.02    -0.00  -0.02  -0.02     0.00   0.09   0.10
    75   6    -0.00  -0.02   0.00     0.00   0.01   0.02    -0.00  -0.06  -0.08
    76   6    -0.01   0.00  -0.01     0.00   0.01   0.02    -0.01  -0.06  -0.07
    77   6     0.00   0.01   0.00    -0.00  -0.02  -0.02     0.01   0.09   0.10
    78   6     0.00  -0.01  -0.01     0.00   0.02   0.02    -0.00  -0.10  -0.11
    79   6    -0.00   0.00   0.01    -0.00  -0.01  -0.02     0.00   0.06   0.07
    80   8     0.08   0.02   0.04    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    81  15    -0.00   0.03  -0.10     0.00  -0.00   0.00     0.00  -0.00   0.00
    82   8    -0.09   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    83   8     0.03  -0.05  -0.04    -0.00   0.00   0.00    -0.00   0.00  -0.00
    84   6     0.01   0.01   0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    85   6     0.02  -0.00   0.03    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    86   6    -0.00  -0.07   0.06    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    87   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    88   1    -0.00  -0.02  -0.11    -0.00  -0.00   0.00     0.00   0.00  -0.00
    89   1     0.00   0.02   0.07     0.00   0.00   0.00     0.00  -0.01   0.00
    90   1     0.00  -0.01   0.04    -0.00  -0.00   0.00     0.01  -0.00  -0.01
    91   1    -0.06  -0.04  -0.00    -0.01  -0.02   0.01    -0.00  -0.00   0.00
    92   1     0.03  -0.03   0.10     0.01  -0.01   0.01     0.00  -0.00   0.00
    93   1    -0.00   0.04   0.13     0.00   0.01   0.00     0.00   0.00  -0.00
    94   1     0.11  -0.07   0.11     0.00   0.00  -0.00    -0.00   0.00  -0.00
    95   1    -0.04   0.19   0.02    -0.00   0.00  -0.00     0.01  -0.01   0.01
    96   1    -0.21   0.11   0.13    -0.00   0.00  -0.00     0.00  -0.01   0.00
    97   1    -0.01   0.09  -0.04    -0.01  -0.03   0.12    -0.00  -0.01   0.03
    98   1     0.03   0.10  -0.11     0.05  -0.12   0.05     0.01  -0.03   0.01
    99   1    -0.02   0.07  -0.12     0.02  -0.13   0.03     0.01  -0.03   0.01
   100   1    -0.05   0.07  -0.06    -0.04  -0.04   0.11    -0.01  -0.01   0.03
   101   1     0.05   0.08  -0.10    -0.00  -0.00   0.02     0.00   0.00  -0.04
   102   1     0.06   0.09  -0.18    -0.01  -0.01   0.01     0.03   0.03  -0.02
   103   1     0.09   0.07  -0.18    -0.01  -0.02   0.01     0.02   0.04  -0.02
   104   1     0.07   0.06  -0.10     0.00  -0.00   0.02    -0.00   0.01  -0.04
   105   1     0.04  -0.02  -0.08    -0.01  -0.01  -0.02     0.02   0.03   0.11
   106   1    -0.01   0.06  -0.08    -0.01   0.02  -0.02     0.04  -0.09   0.07
   107   1    -0.06   0.03  -0.07    -0.02   0.02  -0.01     0.07  -0.08   0.06
   108   1     0.00  -0.03  -0.07    -0.01  -0.01  -0.02     0.04   0.03   0.10
   109   1     0.01  -0.00   0.01    -0.10   0.03   0.23    -0.03   0.01   0.06
   110   1    -0.02   0.01  -0.01     0.09  -0.04  -0.21     0.02  -0.01  -0.05
   111   1    -0.00  -0.00   0.01    -0.18   0.07   0.38    -0.05   0.02   0.10
   112   1    -0.02   0.02  -0.01    -0.03   0.03   0.06    -0.01   0.01   0.01
   113   1     0.01   0.02   0.00    -0.04   0.02   0.05    -0.01   0.01   0.01
   114   1    -0.01  -0.01   0.01    -0.17   0.08   0.38    -0.04   0.02   0.10
   115   1     0.01   0.03  -0.01     0.10  -0.04  -0.20     0.03  -0.01  -0.05
   116   1    -0.01  -0.01   0.01    -0.10   0.03   0.23    -0.03   0.01   0.06
   117   1     0.01  -0.01   0.03     0.01   0.01   0.04    -0.02  -0.02  -0.08
   118   1    -0.01   0.03  -0.03    -0.01  -0.01  -0.03     0.02   0.02   0.08
   119   1     0.00  -0.00   0.04     0.02   0.02   0.06    -0.04  -0.05  -0.14
   120   1    -0.00   0.03  -0.01     0.00   0.00   0.01    -0.01  -0.01  -0.02
   121   1     0.03   0.00  -0.01     0.00   0.01   0.01    -0.01  -0.01  -0.02
   122   1    -0.00   0.00   0.04     0.02   0.02   0.06    -0.04  -0.05  -0.14
   123   1     0.03  -0.01  -0.03    -0.01  -0.01  -0.03     0.02   0.03   0.07
   124   1    -0.01   0.01   0.02     0.01   0.01   0.04    -0.02  -0.02  -0.08
   125   1    -0.01   0.02   0.01    -0.00  -0.03  -0.04     0.02   0.15   0.18
   126   1    -0.01  -0.01  -0.03     0.00   0.03   0.04    -0.01  -0.15  -0.16
   127   1     0.02   0.02   0.03    -0.00  -0.06  -0.07     0.01   0.27   0.29
   128   1    -0.01  -0.01   0.01    -0.00  -0.01  -0.01     0.00   0.05   0.04
   129   1    -0.01   0.02  -0.00     0.00  -0.01  -0.01    -0.01   0.05   0.04
   130   1     0.01   0.03   0.02    -0.01  -0.06  -0.07     0.02   0.27   0.29
   131   1     0.01  -0.01  -0.01     0.00   0.03   0.04    -0.01  -0.15  -0.16
   132   1    -0.00   0.01   0.03    -0.00  -0.03  -0.04     0.01   0.15   0.18
   133   1     0.04   0.01   0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   134   1     0.01   0.05   0.06    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   135   1    -0.01   0.01   0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
   136   1     0.04   0.00   0.05    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   137   1     0.03   0.01   0.06    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   138   1    -0.00  -0.04   0.06     0.00   0.00  -0.00    -0.00   0.00  -0.00
   139   1    -0.01  -0.04   0.06     0.00   0.00  -0.00     0.00   0.00  -0.00
   140   1    -0.01   0.09   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
   141   1     0.04  -0.06  -0.14    -0.00   0.00   0.00    -0.00   0.00   0.00
   142   1    -0.01   0.09   0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
   143  17     0.01  -0.02   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
                    112                    113                    114
                      A                      A                      A
 Frequencies --    577.9152               583.3902               583.4133
 Red. masses --      4.2442                 3.8949                 3.8959
 Frc consts  --      0.8352                 0.7810                 0.7813
 IR Inten    --      4.5067                 0.3231                 0.4059
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6     0.00   0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   7    -0.00  -0.01  -0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    16   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    18   7     0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    20   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    21   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6     0.03   0.03  -0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   6    -0.01   0.01  -0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
    26   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    29   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    31   6     0.03   0.01   0.03     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    32   6    -0.00  -0.05  -0.03    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    33   6    -0.00  -0.00  -0.06     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    34   6    -0.04  -0.01  -0.03    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    35   6     0.00   0.03   0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    36   6     0.00   0.01   0.01    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    37   6     0.01  -0.01  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    38   6    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    39   6    -0.01  -0.02  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    40   6    -0.01   0.01   0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    41   7     0.05   0.06   0.22     0.00   0.00   0.00     0.00  -0.00   0.00
    42   7     0.01  -0.00  -0.02    -0.00   0.00   0.00     0.00   0.00   0.00
    43   7     0.01   0.06   0.07    -0.00   0.00   0.00     0.00  -0.00  -0.00
    44   6    -0.00   0.00   0.01     0.02  -0.01  -0.04     0.00  -0.00  -0.00
    45   6     0.00  -0.00  -0.00    -0.06   0.02   0.14    -0.01   0.00   0.02
    46   6    -0.00  -0.00  -0.00     0.06  -0.02  -0.14     0.01  -0.00  -0.02
    47   6    -0.01   0.00   0.01    -0.02   0.01   0.04    -0.00   0.00   0.00
    48   6    -0.04  -0.04  -0.14     0.00   0.00   0.00    -0.01  -0.01  -0.04
    49   6     0.00   0.01   0.02    -0.00  -0.01  -0.02     0.04   0.05   0.14
    50   6     0.01   0.01   0.02     0.00   0.01   0.02    -0.04  -0.05  -0.14
    51   6    -0.03  -0.05  -0.14    -0.00  -0.00  -0.01     0.01   0.01   0.04
    52   6    -0.01  -0.04  -0.04     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    53   6    -0.00   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    54   6     0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    55   6    -0.00  -0.04  -0.05    -0.00   0.00   0.00     0.00   0.00   0.00
    56   6     0.00  -0.00  -0.01     0.05  -0.02  -0.11     0.01  -0.00  -0.01
    57   6    -0.00   0.00   0.01    -0.07   0.03   0.17    -0.01   0.00   0.02
    58   6     0.00  -0.00  -0.01     0.08  -0.04  -0.17     0.01  -0.00  -0.02
    59   6    -0.00   0.00   0.01    -0.05   0.02   0.12    -0.01   0.00   0.01
    60   6    -0.00   0.00   0.01     0.05  -0.02  -0.12     0.01  -0.00  -0.01
    61   6     0.00  -0.00  -0.01    -0.08   0.04   0.17    -0.01   0.00   0.02
    62   6    -0.01   0.00   0.01     0.08  -0.03  -0.17     0.01  -0.00  -0.02
    63   6     0.00  -0.00  -0.01    -0.05   0.02   0.11    -0.01   0.00   0.01
    64   6     0.02   0.03   0.09     0.00   0.00   0.01    -0.03  -0.04  -0.11
    65   6    -0.04  -0.05  -0.14    -0.01  -0.01  -0.02     0.05   0.06   0.17
    66   6     0.03   0.04   0.13     0.01   0.01   0.02    -0.05  -0.06  -0.17
    67   6    -0.02  -0.03  -0.09    -0.00  -0.00  -0.01     0.03   0.04   0.12
    68   6    -0.03  -0.02  -0.09     0.00   0.00   0.01    -0.03  -0.04  -0.12
    69   6     0.03   0.04   0.13    -0.01  -0.01  -0.02     0.05   0.06   0.17
    70   6    -0.04  -0.05  -0.14     0.00   0.01   0.02    -0.04  -0.06  -0.17
    71   6     0.02   0.03   0.09    -0.00  -0.00  -0.01     0.03   0.04   0.11
    72   6     0.00   0.02   0.03     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    73   6    -0.00  -0.04  -0.04     0.00   0.00   0.01     0.00   0.00   0.00
    74   6     0.00   0.04   0.04    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    75   6    -0.00  -0.02  -0.03     0.00   0.00   0.00     0.00   0.00   0.00
    76   6    -0.00  -0.03  -0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    77   6     0.00   0.04   0.04     0.00   0.00   0.01     0.00   0.00   0.00
    78   6    -0.00  -0.04  -0.05    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    79   6     0.00   0.03   0.03     0.00   0.00   0.00     0.00   0.00   0.00
    80   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    81  15     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    82   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    83   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    84   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    85   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    86   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    87   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    88   1    -0.00  -0.01   0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    89   1     0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    90   1    -0.01  -0.00   0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    91   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    92   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    93   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    94   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    95   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    96   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    97   1     0.00   0.00  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    98   1    -0.00   0.01  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    99   1    -0.00   0.01   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
   100   1     0.01   0.00  -0.01    -0.00  -0.01   0.00    -0.00  -0.00   0.00
   101   1    -0.02   0.00   0.12     0.00  -0.00   0.00    -0.00  -0.00   0.00
   102   1    -0.09  -0.08   0.05    -0.00  -0.00   0.00     0.00  -0.01   0.01
   103   1    -0.07  -0.10   0.06    -0.00  -0.00   0.00     0.01  -0.00  -0.01
   104   1     0.00  -0.02   0.12    -0.00  -0.00   0.00     0.00   0.00  -0.00
   105   1     0.00   0.01   0.04    -0.00  -0.00   0.00     0.00  -0.00  -0.00
   106   1     0.02  -0.04   0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
   107   1     0.03  -0.03   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
   108   1     0.01   0.01   0.04    -0.00   0.00   0.00    -0.00  -0.00  -0.00
   109   1     0.01  -0.00  -0.02     0.03  -0.01  -0.06     0.00  -0.00  -0.01
   110   1    -0.01   0.00   0.02    -0.17   0.07   0.37    -0.02   0.01   0.04
   111   1     0.01  -0.01  -0.03     0.16  -0.07  -0.35     0.02  -0.01  -0.04
   112   1     0.00  -0.00  -0.00    -0.07   0.03   0.17    -0.01   0.00   0.02
   113   1     0.00  -0.00  -0.00     0.08  -0.03  -0.16     0.01  -0.00  -0.02
   114   1     0.01  -0.00  -0.03    -0.16   0.07   0.35    -0.02   0.01   0.04
   115   1    -0.01   0.00   0.02     0.17  -0.07  -0.37     0.02  -0.01  -0.04
   116   1     0.01  -0.00  -0.02    -0.03   0.01   0.06    -0.00   0.00   0.01
   117   1     0.05   0.06   0.22     0.00   0.00   0.01    -0.02  -0.02  -0.06
   118   1    -0.06  -0.07  -0.20    -0.01  -0.02  -0.05     0.10   0.13   0.38
   119   1     0.09   0.13   0.37     0.01   0.01   0.04    -0.10  -0.12  -0.35
   120   1     0.03   0.03   0.05    -0.01  -0.01  -0.02     0.05   0.06   0.17
   121   1     0.02   0.03   0.05     0.00   0.01   0.02    -0.04  -0.06  -0.17
   122   1     0.10   0.12   0.37    -0.01  -0.01  -0.04     0.10   0.12   0.36
   123   1    -0.05  -0.07  -0.20     0.01   0.02   0.05    -0.10  -0.13  -0.38
   124   1     0.05   0.07   0.22    -0.00  -0.00  -0.01     0.02   0.02   0.07
   125   1     0.01   0.06   0.07     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   126   1    -0.00  -0.06  -0.06     0.00   0.01   0.01     0.00   0.00   0.00
   127   1     0.00   0.11   0.12    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
   128   1     0.00   0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
   129   1    -0.00   0.02   0.02     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   130   1     0.01   0.11   0.12     0.00   0.01   0.01     0.00   0.00   0.00
   131   1    -0.00  -0.06  -0.07    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
   132   1     0.01   0.06   0.07     0.00   0.00   0.00    -0.00   0.00   0.00
   133   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   134   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
   135   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   136   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   137   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   138   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   139   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   140   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   141   1    -0.00   0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
   142   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   143  17    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
                    115                    116                    117
                      A                      A                      A
 Frequencies --    583.5109               607.7188               618.7722
 Red. masses --      3.8994                 5.2821                 6.6002
 Frc consts  --      0.7823                 1.1494                 1.4889
 IR Inten    --      0.2786                42.8469                14.0931
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.04   0.01   0.15     0.09  -0.08   0.13
     2   6    -0.00   0.00  -0.00    -0.03   0.01  -0.02     0.04  -0.09  -0.01
     3   6    -0.00   0.00   0.00     0.03   0.09  -0.10     0.00  -0.09  -0.05
     4   6    -0.00  -0.00  -0.00     0.05   0.03   0.11    -0.05   0.06   0.07
     5   6     0.00  -0.00   0.00     0.04   0.02   0.00     0.06   0.04   0.01
     6   6     0.00  -0.00  -0.00    -0.03  -0.05  -0.02     0.06   0.01  -0.04
     7   6     0.00   0.00   0.00     0.01   0.10  -0.06    -0.03  -0.08   0.00
     8   6     0.00  -0.00  -0.00    -0.11  -0.01   0.12     0.01   0.02   0.11
     9   6    -0.00   0.00  -0.00    -0.03  -0.14  -0.15     0.09   0.06  -0.11
    10   6    -0.00  -0.00  -0.00    -0.06  -0.15  -0.05    -0.04   0.14  -0.07
    11   6     0.00   0.00   0.00     0.03   0.04  -0.01    -0.05  -0.05  -0.05
    12   6     0.00   0.00  -0.00     0.01  -0.01   0.20    -0.10  -0.04   0.06
    13   6     0.00   0.00   0.00     0.06  -0.01  -0.02    -0.01   0.06  -0.03
    14   6     0.00  -0.00   0.00     0.01   0.02   0.02    -0.02   0.05   0.02
    15   7    -0.00   0.00   0.00     0.06   0.11   0.11     0.06   0.02   0.02
    16   6    -0.00  -0.00   0.00     0.03   0.06  -0.01     0.06  -0.06   0.04
    17   6    -0.00  -0.00   0.00     0.02   0.00  -0.11    -0.16  -0.01   0.03
    18   7    -0.00  -0.00   0.00    -0.04  -0.07   0.11    -0.05   0.17  -0.07
    19   6    -0.00   0.00  -0.00    -0.04  -0.00   0.01     0.12  -0.09  -0.00
    20   6    -0.00   0.00   0.00    -0.03  -0.04   0.01     0.09  -0.02  -0.00
    21   6     0.00   0.00  -0.00     0.02   0.01   0.08    -0.11   0.01   0.04
    22   6     0.00  -0.00   0.00     0.05   0.04  -0.02    -0.18  -0.05   0.06
    23   6    -0.00  -0.00   0.00    -0.01   0.02  -0.03     0.07  -0.05  -0.01
    24   6     0.00  -0.00   0.00     0.04   0.03  -0.02    -0.05  -0.01  -0.03
    25   6     0.00   0.00  -0.00    -0.02   0.01  -0.03    -0.06  -0.05   0.04
    26   6    -0.00  -0.00   0.00    -0.01   0.02  -0.03     0.05  -0.01  -0.04
    27   6    -0.00   0.00  -0.00    -0.04  -0.02   0.04     0.05  -0.03   0.01
    28   6    -0.00  -0.00   0.00    -0.05   0.01  -0.05     0.06   0.04   0.01
    29   6    -0.00  -0.00  -0.00    -0.01  -0.06   0.01     0.00   0.02   0.04
    30   6    -0.00  -0.00  -0.00     0.01  -0.02  -0.06    -0.01   0.04   0.00
    31   6    -0.00  -0.00   0.00     0.02   0.01  -0.02    -0.05  -0.01  -0.07
    32   6     0.00   0.00  -0.00     0.00  -0.02   0.04    -0.08  -0.03   0.00
    33   6    -0.00  -0.00   0.00     0.03  -0.00  -0.03    -0.07   0.08  -0.02
    34   6     0.00   0.00  -0.00    -0.02  -0.03   0.02    -0.01   0.04   0.05
    35   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.04     0.03   0.06  -0.00
    36   6     0.00  -0.00  -0.00    -0.02   0.01  -0.02     0.03   0.02   0.02
    37   6    -0.00  -0.00  -0.00     0.01  -0.01   0.03     0.01   0.07  -0.02
    38   6    -0.00  -0.00   0.00    -0.01   0.01  -0.04     0.09   0.04  -0.00
    39   6     0.00   0.00   0.00     0.02  -0.01   0.03     0.03  -0.02  -0.04
    40   6    -0.00   0.00  -0.00    -0.01   0.01  -0.03     0.05  -0.08  -0.00
    41   7    -0.00  -0.00  -0.00     0.04   0.02  -0.01    -0.02   0.08  -0.01
    42   7    -0.00  -0.00  -0.00    -0.05   0.03  -0.02     0.03   0.04   0.01
    43   7     0.00  -0.00  -0.00    -0.01   0.02  -0.01     0.06   0.00  -0.01
    44   6    -0.00  -0.00   0.00     0.03   0.01   0.01     0.02   0.05   0.00
    45   6     0.00  -0.00  -0.01     0.04  -0.01   0.02     0.02  -0.02   0.01
    46   6    -0.00   0.00   0.01    -0.01  -0.03   0.00    -0.02  -0.03  -0.00
    47   6     0.00  -0.00  -0.00    -0.05   0.02  -0.03    -0.02  -0.02  -0.01
    48   6    -0.00   0.00   0.00     0.04  -0.00  -0.01     0.02  -0.03   0.01
    49   6    -0.00  -0.00  -0.00    -0.00  -0.03   0.01     0.01  -0.05   0.02
    50   6     0.00   0.00   0.00    -0.03  -0.00   0.01    -0.04  -0.02   0.02
    51   6     0.00  -0.00  -0.00    -0.02   0.02  -0.00    -0.01   0.07  -0.02
    52   6    -0.00  -0.03  -0.03     0.02   0.02  -0.02    -0.02   0.01  -0.01
    53   6     0.01   0.10   0.11     0.02  -0.01   0.01    -0.03   0.00  -0.00
    54   6    -0.01  -0.10  -0.12    -0.01  -0.02   0.02    -0.01   0.01  -0.01
    55   6     0.00   0.03   0.04    -0.03   0.00   0.00     0.04  -0.02   0.01
    56   6    -0.00   0.00   0.00     0.01  -0.03   0.01    -0.01   0.01  -0.00
    57   6     0.00  -0.00  -0.01     0.05  -0.02   0.02     0.00   0.01  -0.00
    58   6    -0.00   0.00   0.01     0.01   0.04   0.00     0.00   0.01   0.00
    59   6     0.00  -0.00  -0.00     0.01   0.03  -0.01    -0.02  -0.03  -0.00
    60   6    -0.00   0.00   0.00     0.02  -0.01   0.01    -0.02   0.03  -0.02
    61   6     0.00  -0.00  -0.01    -0.01   0.00  -0.01    -0.03   0.03  -0.02
    62   6    -0.00   0.00   0.01    -0.02  -0.01  -0.01    -0.02  -0.05  -0.01
    63   6     0.00  -0.00  -0.00     0.01   0.01   0.00     0.00  -0.03   0.01
    64   6     0.00   0.00   0.00    -0.01   0.00   0.00    -0.02  -0.04   0.02
    65   6    -0.00   0.00  -0.00     0.01  -0.02   0.00     0.01  -0.07   0.02
    66   6     0.00   0.00   0.00     0.02  -0.00  -0.00     0.06   0.02  -0.02
    67   6    -0.00  -0.00  -0.00    -0.01   0.00   0.00     0.04   0.03  -0.03
    68   6     0.00   0.00   0.00     0.00   0.02  -0.01     0.01  -0.05   0.01
    69   6    -0.00  -0.00  -0.00    -0.00   0.03  -0.01    -0.00   0.01  -0.00
    70   6     0.00   0.00   0.00    -0.04   0.00   0.01     0.00   0.02  -0.01
    71   6    -0.00  -0.00  -0.00    -0.01  -0.02   0.01     0.02   0.00  -0.01
    72   6    -0.01  -0.08  -0.09    -0.00  -0.01   0.01    -0.02   0.02  -0.02
    73   6     0.01   0.13   0.14     0.02  -0.00  -0.00    -0.05   0.02  -0.01
    74   6    -0.01  -0.13  -0.14     0.01   0.01  -0.01     0.00  -0.03   0.03
    75   6     0.01   0.09   0.10    -0.00   0.00  -0.00     0.00  -0.03   0.03
    76   6    -0.01  -0.09  -0.10    -0.00   0.00  -0.01    -0.04   0.01  -0.01
    77   6     0.01   0.13   0.14    -0.02   0.01  -0.00    -0.00   0.01  -0.00
    78   6    -0.01  -0.13  -0.14    -0.01  -0.02   0.01     0.01  -0.02   0.01
    79   6     0.01   0.08   0.09     0.01  -0.01   0.00     0.00  -0.02   0.01
    80   8     0.00  -0.00   0.00     0.01   0.01   0.02     0.00   0.00   0.00
    81  15     0.00   0.00  -0.00    -0.01  -0.00  -0.02     0.00  -0.00  -0.00
    82   8    -0.00  -0.00   0.00    -0.04   0.01  -0.01    -0.00   0.00   0.00
    83   8    -0.00  -0.00   0.00     0.02  -0.01  -0.01     0.00  -0.01  -0.01
    84   6    -0.00  -0.00   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    85   6     0.00   0.00   0.00     0.01  -0.00   0.01     0.00  -0.00   0.00
    86   6    -0.00  -0.00   0.00     0.00  -0.02   0.02    -0.00  -0.01   0.01
    87   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    88   1    -0.00   0.00  -0.00    -0.01  -0.07  -0.11     0.01  -0.06  -0.12
    89   1     0.00  -0.00   0.00     0.02   0.07  -0.18     0.08  -0.06  -0.10
    90   1     0.00   0.00   0.00    -0.07  -0.07  -0.26    -0.03   0.01  -0.21
    91   1     0.00   0.00   0.00     0.07  -0.02  -0.24     0.04  -0.01  -0.21
    92   1    -0.00   0.00   0.00     0.16   0.04  -0.33     0.11   0.08  -0.19
    93   1     0.00  -0.00   0.00     0.14   0.15  -0.19     0.00   0.04  -0.14
    94   1    -0.00   0.00   0.00    -0.10  -0.00  -0.01     0.11  -0.10  -0.03
    95   1    -0.00  -0.00   0.00    -0.06  -0.09  -0.05     0.17   0.08  -0.09
    96   1    -0.00  -0.00   0.00     0.12   0.04  -0.02    -0.21  -0.05   0.06
    97   1    -0.00   0.00  -0.00    -0.05  -0.07  -0.01     0.07   0.01   0.01
    98   1    -0.00   0.00  -0.00    -0.01  -0.09   0.12    -0.00  -0.07   0.05
    99   1    -0.00   0.00  -0.00     0.02  -0.10   0.12    -0.02  -0.05   0.05
   100   1    -0.00   0.00  -0.00    -0.02  -0.07  -0.01     0.06   0.02   0.03
   101   1     0.00   0.00  -0.00     0.01  -0.05   0.02    -0.09   0.05  -0.02
   102   1     0.00   0.00  -0.00    -0.04  -0.06   0.11    -0.04  -0.07   0.08
   103   1     0.00   0.00  -0.00    -0.06  -0.05   0.10    -0.01  -0.05   0.09
   104   1     0.00   0.00  -0.00    -0.01  -0.04   0.01    -0.07   0.07  -0.00
   105   1     0.00  -0.00   0.00     0.01  -0.00   0.03     0.11   0.00  -0.06
   106   1     0.01   0.00   0.00     0.04  -0.03   0.11    -0.04   0.06  -0.08
   107   1     0.00   0.00  -0.01     0.06  -0.03   0.11    -0.08   0.01  -0.07
   108   1    -0.00   0.00  -0.00     0.03   0.00   0.03     0.06  -0.04  -0.05
   109   1    -0.00   0.00   0.00    -0.02   0.01  -0.00    -0.03   0.03  -0.01
   110   1     0.01  -0.00  -0.01     0.04  -0.03   0.02     0.00   0.02  -0.00
   111   1    -0.01   0.00   0.01    -0.03   0.03  -0.01     0.03   0.01   0.01
   112   1     0.00  -0.00  -0.01     0.03  -0.01   0.02    -0.00  -0.05   0.01
   113   1    -0.00   0.00   0.01     0.01  -0.05   0.02    -0.02  -0.02  -0.00
   114   1     0.01  -0.00  -0.01    -0.02  -0.00  -0.01     0.00   0.06   0.00
   115   1    -0.01   0.00   0.01    -0.02  -0.00  -0.01    -0.00  -0.06   0.01
   116   1     0.00  -0.00  -0.00     0.01   0.05  -0.00    -0.00   0.01   0.00
   117   1     0.00  -0.00   0.00     0.00   0.04  -0.01     0.01   0.02   0.00
   118   1    -0.00  -0.00  -0.00     0.01  -0.02   0.01    -0.03  -0.08   0.03
   119   1     0.00   0.00   0.00     0.01  -0.00  -0.00     0.02   0.08  -0.02
   120   1    -0.00  -0.00  -0.00    -0.02  -0.03   0.02     0.02  -0.03   0.01
   121   1     0.00   0.00   0.00    -0.03  -0.00   0.01    -0.03  -0.07   0.03
   122   1    -0.00  -0.00  -0.00     0.03   0.02  -0.01    -0.04   0.03   0.00
   123   1     0.00   0.00   0.00    -0.04  -0.01   0.01     0.00   0.02  -0.01
   124   1    -0.00  -0.00  -0.00     0.02   0.00  -0.01     0.06   0.03  -0.02
   125   1    -0.00  -0.05  -0.05    -0.02   0.01  -0.01    -0.00  -0.00  -0.00
   126   1     0.02   0.28   0.31     0.02  -0.00   0.00    -0.04   0.03  -0.03
   127   1    -0.02  -0.27  -0.29    -0.00   0.01  -0.01     0.05  -0.03   0.01
   128   1     0.01   0.12   0.14     0.02  -0.01   0.01    -0.02  -0.02   0.01
   129   1    -0.01  -0.12  -0.14     0.00  -0.02   0.02    -0.04   0.02  -0.02
   130   1     0.02   0.26   0.29    -0.01   0.02  -0.01     0.03   0.03  -0.02
   131   1    -0.02  -0.28  -0.31    -0.01  -0.02   0.02     0.02  -0.02   0.02
   132   1     0.00   0.05   0.05     0.00   0.02  -0.01     0.00  -0.03   0.03
   133   1     0.00  -0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
   134   1    -0.00   0.00   0.00     0.01   0.01   0.01    -0.00   0.00   0.00
   135   1    -0.00   0.00   0.00    -0.02   0.01  -0.00     0.01  -0.00   0.00
   136   1     0.00   0.00   0.00     0.01   0.00   0.03    -0.00  -0.00  -0.00
   137   1     0.00   0.00   0.00     0.02   0.01   0.03     0.00  -0.00  -0.00
   138   1     0.00  -0.00   0.00    -0.00  -0.01   0.02    -0.00  -0.00   0.01
   139   1     0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
   140   1     0.00   0.00  -0.00    -0.01   0.03   0.00    -0.00   0.01   0.00
   141   1     0.00  -0.00  -0.00     0.01  -0.02  -0.04     0.00  -0.01  -0.02
   142   1     0.00   0.00  -0.00    -0.00   0.03   0.01    -0.00   0.01   0.00
   143  17     0.00  -0.00   0.00     0.01  -0.01  -0.02    -0.01  -0.01  -0.00
                    118                    119                    120
                      A                      A                      A
 Frequencies --    624.9111               625.9899               627.0109
 Red. masses --      7.4403                 6.4826                 6.6861
 Frc consts  --      1.7119                 1.4967                 1.5487
 IR Inten    --     10.0768                 1.8580                 1.3193
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.15  -0.08    -0.02   0.07   0.04     0.01  -0.02   0.03
     2   6    -0.06  -0.11   0.01     0.02   0.05  -0.02    -0.00  -0.02  -0.01
     3   6     0.04   0.06   0.10    -0.01  -0.00   0.00     0.01   0.01  -0.02
     4   6     0.02   0.11  -0.01    -0.00  -0.04   0.04     0.01   0.02  -0.00
     5   6     0.18   0.09  -0.03    -0.07  -0.04   0.02     0.03   0.02   0.01
     6   6     0.04  -0.09   0.03    -0.02   0.03  -0.02     0.01  -0.01  -0.02
     7   6    -0.00   0.08  -0.04     0.02  -0.01  -0.03    -0.02   0.02   0.02
     8   6    -0.08   0.01  -0.06     0.02  -0.01   0.02    -0.02  -0.00  -0.01
     9   6    -0.14  -0.00  -0.02     0.03  -0.00   0.03    -0.03  -0.01  -0.01
    10   6    -0.14  -0.02  -0.08     0.04  -0.04  -0.04    -0.03  -0.01  -0.01
    11   6    -0.00   0.04   0.01     0.01   0.00  -0.00    -0.01   0.01   0.02
    12   6     0.07   0.02   0.03    -0.02   0.00   0.04     0.04   0.01  -0.04
    13   6     0.05  -0.04   0.01    -0.01   0.01  -0.02     0.01  -0.02   0.03
    14   6     0.01  -0.01   0.01    -0.00  -0.01  -0.00     0.02  -0.00  -0.01
    15   7    -0.06   0.04   0.05     0.01   0.00   0.01    -0.01   0.01   0.01
    16   6    -0.04   0.03  -0.03    -0.01  -0.02  -0.04    -0.01   0.01  -0.01
    17   6    -0.09   0.05   0.05     0.07   0.03   0.07    -0.01   0.01   0.00
    18   7    -0.12   0.02   0.02     0.05  -0.03  -0.04    -0.03  -0.01   0.01
    19   6     0.09   0.12  -0.10    -0.06  -0.04  -0.01     0.01   0.03  -0.02
    20   6     0.20  -0.02  -0.01    -0.05   0.03   0.07     0.04  -0.01  -0.00
    21   6     0.09  -0.07  -0.07    -0.04  -0.06  -0.14     0.02  -0.01  -0.01
    22   6     0.01  -0.11   0.07     0.04   0.05   0.02     0.01  -0.02   0.01
    23   6     0.08  -0.04   0.01    -0.04   0.02   0.00     0.00  -0.02   0.05
    24   6     0.05   0.02   0.02    -0.00  -0.02   0.01     0.02   0.04  -0.04
    25   6     0.05   0.03  -0.02    -0.03   0.01  -0.05     0.01   0.01  -0.01
    26   6    -0.03   0.03   0.02     0.01  -0.00  -0.02    -0.01  -0.01   0.04
    27   6    -0.04   0.01   0.02     0.01  -0.02   0.01    -0.02   0.05  -0.01
    28   6    -0.05  -0.02  -0.02     0.01  -0.00   0.01    -0.02   0.02  -0.03
    29   6     0.00  -0.04  -0.02     0.00  -0.01   0.01    -0.02   0.03  -0.02
    30   6     0.01  -0.02  -0.03     0.00   0.00  -0.01     0.00  -0.03   0.02
    31   6    -0.00  -0.02   0.01     0.01   0.01   0.00     0.01   0.01  -0.03
    32   6    -0.04  -0.03  -0.05     0.02   0.01   0.03    -0.03  -0.04   0.01
    33   6    -0.08   0.05  -0.01     0.04  -0.03   0.01    -0.03  -0.01   0.02
    34   6    -0.01   0.07   0.00     0.00  -0.04  -0.00    -0.03  -0.01   0.02
    35   6     0.01   0.10   0.07    -0.01  -0.05  -0.03     0.01   0.03  -0.02
    36   6     0.04  -0.01   0.02     0.02   0.01   0.05     0.01  -0.00   0.00
    37   6     0.00  -0.04  -0.04    -0.04   0.04  -0.04     0.00  -0.01  -0.01
    38   6    -0.06  -0.03   0.03    -0.01   0.02  -0.03    -0.02  -0.01   0.00
    39   6    -0.07   0.02  -0.00    -0.02   0.04  -0.05    -0.01   0.01   0.00
    40   6    -0.05   0.05   0.06     0.02   0.01   0.05    -0.01   0.01   0.01
    41   7    -0.08   0.01  -0.01     0.04  -0.01   0.00     0.02   0.05  -0.01
    42   7    -0.04  -0.01  -0.02    -0.01   0.03   0.00     0.01  -0.07  -0.00
    43   7    -0.03  -0.06   0.02     0.05  -0.07   0.04    -0.01  -0.01   0.01
    44   6     0.01  -0.02   0.01     0.04   0.02   0.01    -0.12  -0.05  -0.04
    45   6     0.01  -0.00   0.01     0.03  -0.05   0.02    -0.09   0.16  -0.07
    46   6     0.00  -0.01   0.00     0.00  -0.06   0.01    -0.01   0.19  -0.04
    47   6    -0.02   0.02  -0.01    -0.04  -0.01  -0.02     0.11   0.05   0.04
    48   6    -0.08   0.02   0.02     0.04  -0.01  -0.01     0.07  -0.07   0.00
    49   6     0.04   0.06  -0.03    -0.02  -0.04   0.02    -0.06  -0.13   0.06
    50   6     0.07   0.03  -0.03    -0.04  -0.02   0.02    -0.11  -0.08   0.06
    51   6     0.05  -0.01  -0.01    -0.03   0.01   0.00    -0.08   0.07  -0.01
    52   6    -0.05  -0.04   0.05    -0.13  -0.05   0.06    -0.02  -0.01   0.01
    53   6    -0.06   0.05  -0.04    -0.15   0.12  -0.10    -0.02   0.02  -0.02
    54   6    -0.01   0.07  -0.06    -0.04   0.16  -0.14    -0.01   0.03  -0.02
    55   6     0.04   0.03  -0.02     0.15   0.04  -0.04     0.01   0.01  -0.01
    56   6     0.01  -0.02   0.01     0.03   0.00   0.01    -0.11  -0.02  -0.05
    57   6     0.03  -0.01   0.01     0.03   0.01   0.01    -0.09  -0.05  -0.02
    58   6     0.00   0.03  -0.00    -0.01   0.05  -0.01     0.03  -0.19   0.04
    59   6     0.00   0.03  -0.01    -0.04  -0.01  -0.02     0.13   0.04   0.05
    60   6     0.03  -0.02   0.02     0.03   0.02   0.01    -0.11  -0.07  -0.03
    61   6     0.01  -0.00   0.00    -0.03   0.05  -0.02     0.09  -0.17   0.06
    62   6     0.00   0.02  -0.00    -0.03  -0.02  -0.01     0.09   0.04   0.04
    63   6    -0.00   0.02  -0.01    -0.02  -0.02  -0.00     0.10   0.08   0.03
    64   6    -0.03   0.01   0.00     0.02  -0.01  -0.00     0.06  -0.08   0.02
    65   6    -0.03  -0.00   0.02     0.02   0.00  -0.01     0.06  -0.06  -0.00
    66   6    -0.04  -0.03   0.01     0.02   0.02  -0.01     0.11   0.09  -0.06
    67   6     0.08  -0.03  -0.01    -0.05   0.02   0.00    -0.06   0.08  -0.01
    68   6    -0.05  -0.02   0.03     0.03   0.01  -0.02     0.09  -0.07  -0.00
    69   6    -0.04  -0.09   0.03     0.03   0.05  -0.02     0.07   0.12  -0.05
    70   6     0.08  -0.01  -0.01    -0.04   0.01   0.00    -0.05   0.06  -0.01
    71   6     0.06  -0.00  -0.02    -0.04   0.01   0.01    -0.08   0.05   0.01
    72   6    -0.03  -0.02   0.01    -0.11  -0.01   0.01    -0.02  -0.01   0.01
    73   6    -0.02  -0.02   0.03    -0.12  -0.02   0.04    -0.01  -0.01   0.01
    74   6     0.02  -0.05   0.04     0.05  -0.15   0.13     0.01  -0.02   0.02
    75   6     0.06   0.04  -0.03     0.13   0.02  -0.02     0.03   0.01  -0.01
    76   6    -0.01  -0.03   0.04    -0.11  -0.05   0.06    -0.01  -0.01   0.02
    77   6     0.07  -0.07   0.04     0.13  -0.12   0.09     0.02  -0.03   0.02
    78   6     0.05   0.05  -0.04     0.10   0.05  -0.04     0.02   0.01  -0.01
    79   6     0.02   0.04  -0.04     0.08   0.05  -0.06     0.02   0.01  -0.02
    80   8    -0.01   0.02  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    81  15     0.00  -0.03   0.01    -0.00   0.01  -0.01     0.00  -0.00   0.00
    82   8     0.01   0.01   0.00    -0.01   0.00  -0.00     0.00   0.00   0.00
    83   8     0.01  -0.01  -0.03    -0.00   0.00   0.01     0.00  -0.00  -0.01
    84   6    -0.00   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    85   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    86   6    -0.00  -0.01   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    87   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    88   1    -0.04  -0.16  -0.01     0.01   0.06  -0.10    -0.00  -0.03  -0.02
    89   1     0.17   0.11  -0.01    -0.07  -0.04  -0.06     0.03   0.02   0.02
    90   1    -0.14  -0.04   0.14     0.05   0.00  -0.13    -0.02  -0.01  -0.05
    91   1    -0.08  -0.04   0.04     0.03   0.02  -0.00    -0.03  -0.01   0.03
    92   1     0.02  -0.04   0.00    -0.01   0.02  -0.06    -0.01  -0.02   0.08
    93   1     0.06   0.06   0.05    -0.02  -0.03  -0.01     0.04   0.03  -0.01
    94   1     0.08   0.15  -0.02    -0.04  -0.01   0.07     0.01   0.03  -0.01
    95   1     0.17  -0.03   0.15    -0.02   0.11   0.26     0.02  -0.02   0.02
    96   1     0.07  -0.10   0.09     0.04   0.07   0.07     0.02  -0.02   0.01
    97   1    -0.06  -0.01  -0.02     0.01   0.03  -0.04    -0.03  -0.12   0.11
    98   1     0.01   0.01   0.02    -0.00  -0.00  -0.01    -0.02  -0.01   0.06
    99   1     0.03  -0.01   0.01     0.00   0.00  -0.01    -0.00  -0.01   0.06
   100   1    -0.06  -0.02  -0.03     0.01   0.03  -0.04    -0.00  -0.11   0.11
   101   1    -0.05   0.07   0.06     0.04  -0.03  -0.03     0.03   0.08  -0.10
   102   1     0.00  -0.05  -0.03    -0.00   0.03   0.01    -0.01  -0.01  -0.05
   103   1     0.02  -0.01  -0.02    -0.01   0.01  -0.00     0.00  -0.01  -0.05
   104   1    -0.06   0.10   0.08     0.03  -0.04  -0.04     0.05   0.07  -0.10
   105   1    -0.03  -0.00   0.05     0.07  -0.01   0.16    -0.00  -0.00   0.03
   106   1     0.02  -0.00  -0.07    -0.01   0.03   0.01     0.01  -0.00   0.00
   107   1    -0.02   0.01  -0.05    -0.00   0.03   0.01     0.00   0.00   0.01
   108   1    -0.08   0.00   0.08     0.07  -0.01   0.16    -0.01  -0.00   0.03
   109   1     0.00  -0.00   0.00    -0.00   0.05  -0.00    -0.02  -0.16   0.00
   110   1     0.02  -0.03   0.01     0.01  -0.03   0.01    -0.01   0.12  -0.02
   111   1    -0.03   0.02  -0.01     0.00   0.06  -0.00    -0.01  -0.19   0.02
   112   1     0.01   0.02   0.00    -0.01  -0.05   0.01     0.04   0.18  -0.01
   113   1     0.03  -0.02   0.02     0.03  -0.04   0.02    -0.11   0.10  -0.07
   114   1    -0.02  -0.03  -0.01    -0.03   0.05  -0.02     0.11  -0.16   0.06
   115   1    -0.00   0.02  -0.01     0.01  -0.04   0.01    -0.06   0.12  -0.04
   116   1    -0.00   0.02  -0.01    -0.03   0.03  -0.01     0.11  -0.10   0.05
   117   1    -0.06  -0.05   0.02     0.04   0.03  -0.01     0.11   0.04  -0.03
   118   1     0.01   0.00   0.01    -0.01  -0.00  -0.00    -0.08  -0.07   0.04
   119   1    -0.07   0.01   0.00     0.05  -0.00  -0.00     0.12   0.08  -0.05
   120   1     0.10   0.03  -0.03    -0.06  -0.02   0.02    -0.11  -0.04   0.04
   121   1     0.02   0.02  -0.01    -0.01  -0.02   0.01    -0.02  -0.13   0.05
   122   1    -0.09  -0.07   0.02     0.05   0.04  -0.01     0.04   0.13  -0.05
   123   1     0.07   0.07  -0.03    -0.04  -0.04   0.02    -0.04  -0.08   0.03
   124   1    -0.01  -0.05  -0.00     0.00   0.03  -0.00     0.03   0.12  -0.03
   125   1     0.02  -0.07   0.04     0.03  -0.13   0.09    -0.00  -0.03   0.02
   126   1    -0.01   0.02  -0.01    -0.06   0.10  -0.08     0.00   0.01  -0.01
   127   1    -0.02  -0.06   0.04     0.04  -0.16   0.12    -0.01  -0.03   0.02
   128   1     0.00   0.08  -0.07    -0.02   0.14  -0.12     0.01   0.03  -0.03
   129   1    -0.02   0.03  -0.03    -0.14   0.10  -0.08    -0.02   0.01  -0.01
   130   1     0.04  -0.09   0.05     0.14  -0.12   0.08     0.02  -0.03   0.02
   131   1    -0.03   0.07  -0.05    -0.06   0.09  -0.07    -0.02   0.02  -0.02
   132   1     0.04  -0.04   0.01     0.11  -0.10   0.06     0.02  -0.01   0.00
   133   1    -0.01   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
   134   1    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   135   1     0.02  -0.01   0.01    -0.01   0.01  -0.00     0.00  -0.00   0.00
   136   1    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.00  -0.00  -0.00
   137   1    -0.00  -0.01  -0.01     0.00   0.00   0.01    -0.00  -0.00  -0.00
   138   1    -0.00   0.00   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
   139   1    -0.01   0.00   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
   140   1    -0.01   0.03   0.01     0.00  -0.01  -0.00    -0.00   0.01   0.00
   141   1     0.01  -0.01  -0.03    -0.00   0.00   0.01     0.00  -0.00  -0.01
   142   1    -0.00   0.03   0.01     0.00  -0.01  -0.00    -0.00   0.01   0.00
   143  17     0.01  -0.00   0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
                    121                    122                    123
                      A                      A                      A
 Frequencies --    628.2925               633.6047               638.3845
 Red. masses --      6.3737                 5.3087                 5.6989
 Frc consts  --      1.4824                 1.2557                 1.3684
 IR Inten    --      2.4791                 2.2163                 1.8324
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03  -0.06     0.00  -0.03  -0.05    -0.02  -0.02  -0.09
     2   6    -0.01  -0.02  -0.00    -0.00  -0.01   0.03    -0.04  -0.01   0.03
     3   6     0.00   0.01   0.05     0.00  -0.00  -0.04    -0.00   0.03   0.05
     4   6    -0.00   0.01  -0.03     0.00   0.01  -0.06     0.01   0.01  -0.01
     5   6     0.02   0.01   0.00     0.02   0.01  -0.02     0.03  -0.00  -0.03
     6   6     0.01  -0.01   0.00     0.01  -0.01   0.02    -0.00  -0.03   0.04
     7   6    -0.01   0.01   0.01    -0.03   0.00   0.06     0.04   0.03  -0.04
     8   6    -0.01  -0.01  -0.05    -0.00   0.01  -0.02     0.01   0.02  -0.00
     9   6    -0.05   0.01   0.02     0.01  -0.01  -0.03     0.02  -0.00   0.01
    10   6    -0.03  -0.00  -0.02     0.00   0.04   0.10     0.00   0.00   0.01
    11   6    -0.01   0.02   0.01    -0.01  -0.01   0.00     0.04  -0.01  -0.01
    12   6     0.04   0.02  -0.04     0.02  -0.00  -0.07    -0.04  -0.03   0.07
    13   6     0.01  -0.01   0.01     0.00  -0.01   0.02    -0.02  -0.00  -0.05
    14   6     0.02  -0.02   0.00    -0.00   0.02  -0.00    -0.05   0.02   0.01
    15   7    -0.04  -0.00   0.00     0.01  -0.01  -0.03     0.02  -0.01  -0.01
    16   6    -0.03   0.00  -0.01     0.03   0.03   0.06     0.02   0.00  -0.00
    17   6    -0.01   0.00   0.02    -0.04  -0.06  -0.14    -0.01   0.01  -0.01
    18   7    -0.02  -0.01   0.01    -0.01   0.01   0.06    -0.01   0.01   0.00
    19   6     0.01   0.05  -0.03     0.02   0.02   0.06     0.00  -0.01   0.01
    20   6     0.04   0.01  -0.01    -0.02  -0.03  -0.08    -0.00  -0.01   0.00
    21   6     0.05  -0.01  -0.03     0.04   0.11   0.24    -0.02   0.00   0.02
    22   6     0.02  -0.04   0.01    -0.03  -0.01  -0.06    -0.01   0.01  -0.01
    23   6     0.00  -0.02   0.06     0.01  -0.01   0.01     0.02   0.02  -0.08
    24   6     0.01  -0.01   0.05    -0.01   0.00   0.00    -0.03  -0.04   0.08
    25   6     0.04   0.02   0.01    -0.01  -0.02  -0.00    -0.02  -0.01   0.01
    26   6    -0.02   0.02   0.01    -0.01  -0.00   0.02    -0.05   0.03  -0.05
    27   6    -0.01  -0.01   0.00    -0.00   0.01  -0.02    -0.01  -0.11  -0.02
    28   6    -0.02  -0.04   0.02     0.01  -0.01   0.01     0.03  -0.04   0.01
    29   6     0.01  -0.03  -0.01     0.00   0.01  -0.01     0.08  -0.05   0.03
    30   6     0.00  -0.00  -0.01    -0.00   0.01   0.03     0.03   0.08  -0.00
    31   6     0.01   0.00  -0.01     0.01  -0.00   0.01    -0.05  -0.01   0.04
    32   6    -0.02  -0.03  -0.01    -0.00  -0.01  -0.01     0.02   0.08  -0.02
    33   6    -0.04  -0.02   0.03    -0.02   0.00   0.00     0.02   0.02  -0.01
    34   6    -0.02  -0.00  -0.00    -0.01   0.01  -0.00     0.08   0.03  -0.02
    35   6     0.01   0.03   0.01     0.00   0.02   0.02    -0.01  -0.06   0.04
    36   6     0.01  -0.01  -0.01    -0.03  -0.02  -0.06    -0.00   0.01  -0.00
    37   6     0.01  -0.04  -0.01     0.02  -0.01   0.06     0.00   0.01   0.01
    38   6    -0.03  -0.03   0.03    -0.01   0.02  -0.04     0.02   0.01  -0.01
    39   6    -0.02  -0.00   0.01     0.03  -0.02   0.05     0.01  -0.01  -0.00
    40   6    -0.03   0.03   0.01    -0.00  -0.03  -0.07     0.00  -0.01  -0.01
    41   7     0.01   0.03  -0.00    -0.01   0.00  -0.00    -0.07  -0.08   0.04
    42   7    -0.02   0.02  -0.01     0.01  -0.02   0.00    -0.02   0.11  -0.04
    43   7    -0.03  -0.00   0.00    -0.03   0.07  -0.05     0.01   0.01  -0.01
    44   6     0.07   0.00   0.03     0.00  -0.02   0.00     0.04   0.11  -0.00
    45   6     0.05  -0.12   0.04    -0.01  -0.03   0.00     0.08   0.05   0.03
    46   6     0.03  -0.13   0.04     0.02  -0.02   0.01    -0.09  -0.02  -0.03
    47   6    -0.07  -0.04  -0.03     0.01  -0.02   0.01    -0.08   0.04  -0.04
    48   6     0.06  -0.08   0.01    -0.01  -0.01   0.01    -0.11  -0.01   0.03
    49   6    -0.09  -0.13   0.06    -0.01  -0.00   0.00    -0.08   0.05   0.00
    50   6    -0.11  -0.11   0.06    -0.00  -0.01   0.00     0.06  -0.07   0.01
    51   6    -0.08   0.06   0.00    -0.00   0.00   0.00     0.00  -0.11   0.03
    52   6     0.04  -0.01   0.00    -0.02   0.06  -0.05     0.00   0.01  -0.01
    53   6     0.04  -0.04   0.03     0.02   0.08  -0.07     0.01   0.00  -0.00
    54   6     0.02  -0.04   0.04    -0.10   0.03  -0.02    -0.01  -0.00   0.00
    55   6    -0.04  -0.01   0.01    -0.05   0.05  -0.04    -0.00  -0.00   0.00
    56   6     0.10   0.02   0.05     0.04   0.02   0.01    -0.12  -0.07  -0.04
    57   6     0.06   0.03   0.02    -0.01   0.02  -0.01     0.05  -0.04   0.03
    58   6    -0.03   0.15  -0.04    -0.02   0.02  -0.01     0.06  -0.03   0.03
    59   6    -0.10  -0.02  -0.04    -0.03  -0.02  -0.01     0.07   0.04   0.03
    60   6     0.11   0.04   0.04     0.03   0.01   0.01    -0.09  -0.01  -0.04
    61   6    -0.05   0.12  -0.04     0.00   0.04  -0.01    -0.04  -0.06  -0.01
    62   6    -0.06   0.00  -0.03    -0.01   0.02  -0.00    -0.02  -0.09   0.01
    63   6    -0.10  -0.05  -0.03    -0.05  -0.02  -0.02     0.14   0.02   0.06
    64   6     0.09  -0.10   0.01     0.01  -0.02   0.00     0.14  -0.08  -0.01
    65   6     0.07  -0.05  -0.01     0.00  -0.00   0.00     0.01   0.08  -0.03
    66   6     0.12   0.12  -0.07     0.01   0.01  -0.01    -0.02   0.07  -0.02
    67   6    -0.09   0.10  -0.01    -0.00   0.01  -0.00    -0.08   0.05   0.01
    68   6     0.11  -0.09  -0.00     0.01  -0.02   0.01     0.06  -0.08   0.01
    69   6     0.10   0.13  -0.06     0.01   0.00  -0.00     0.07  -0.00  -0.02
    70   6    -0.04   0.07  -0.02     0.01   0.01  -0.00     0.08   0.02  -0.03
    71   6    -0.11   0.08   0.01    -0.01   0.02  -0.00    -0.10   0.12  -0.01
    72   6     0.05   0.00  -0.01    -0.15  -0.07   0.07    -0.01  -0.00   0.00
    73   6     0.04   0.01  -0.01     0.03  -0.05   0.04    -0.00   0.00  -0.00
    74   6    -0.02   0.05  -0.05     0.09  -0.06   0.05     0.01  -0.01   0.01
    75   6    -0.04   0.00  -0.00     0.11   0.04  -0.05     0.01  -0.00   0.00
    76   6     0.06   0.01  -0.01    -0.13  -0.03   0.03    -0.02   0.00  -0.00
    77   6    -0.02   0.03  -0.03     0.01  -0.09   0.08    -0.01  -0.00   0.00
    78   6    -0.03   0.01  -0.01     0.03  -0.06   0.05    -0.00  -0.01   0.01
    79   6    -0.04  -0.01   0.01     0.17   0.04  -0.05     0.02  -0.00   0.00
    80   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    81  15     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    82   8     0.01  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    83   8    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.00   0.01
    84   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    85   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    86   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    87   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    88   1    -0.01  -0.01   0.02     0.01  -0.01   0.17    -0.02  -0.03   0.07
    89   1     0.03   0.02   0.06     0.02   0.03   0.11     0.02   0.02  -0.02
    90   1    -0.01   0.01   0.09    -0.01   0.01   0.17    -0.02  -0.01   0.16
    91   1    -0.05   0.01   0.08    -0.01  -0.01   0.01     0.05  -0.01  -0.03
    92   1    -0.05  -0.02   0.09    -0.01  -0.02   0.11     0.03   0.00  -0.12
    93   1     0.00  -0.03   0.08     0.00   0.02   0.02    -0.06   0.02   0.03
    94   1     0.03   0.06   0.00    -0.02  -0.05  -0.11    -0.01  -0.01   0.00
    95   1     0.03  -0.01   0.04    -0.08  -0.18  -0.43     0.00  -0.01  -0.03
    96   1     0.01  -0.04   0.02    -0.04  -0.06  -0.16     0.00   0.01  -0.01
    97   1    -0.02   0.08  -0.07    -0.01   0.02   0.02    -0.02   0.18  -0.15
    98   1     0.03   0.05  -0.07     0.01   0.02  -0.04     0.01  -0.04  -0.10
    99   1     0.01   0.03  -0.08    -0.00   0.02  -0.04     0.06  -0.01  -0.07
   100   1    -0.04   0.07  -0.09    -0.01   0.01   0.02     0.01   0.20  -0.13
   101   1     0.04   0.10  -0.10     0.00   0.02   0.00    -0.10  -0.10   0.16
   102   1     0.01   0.02  -0.11     0.01  -0.00  -0.03     0.02   0.05   0.05
   103   1     0.03   0.01  -0.11     0.01   0.00  -0.02     0.04   0.02   0.05
   104   1     0.07   0.08  -0.10     0.00   0.03   0.00    -0.09  -0.11   0.16
   105   1    -0.06   0.01  -0.04     0.02  -0.04  -0.05     0.01   0.01  -0.02
   106   1     0.00  -0.01  -0.05     0.07  -0.02   0.14    -0.01  -0.00   0.00
   107   1    -0.00   0.00  -0.05     0.04  -0.03   0.15    -0.01  -0.01   0.00
   108   1    -0.07   0.02  -0.03     0.01  -0.04  -0.04     0.01   0.00  -0.02
   109   1     0.05   0.11   0.01     0.05   0.02   0.02    -0.17  -0.00  -0.08
   110   1    -0.00  -0.11   0.01    -0.03  -0.03  -0.01     0.10   0.07   0.04
   111   1    -0.01   0.15  -0.02     0.01   0.03  -0.00    -0.02  -0.04  -0.00
   112   1    -0.04  -0.11  -0.00    -0.03  -0.02  -0.01     0.11  -0.02   0.05
   113   1     0.11  -0.06   0.06     0.03   0.01   0.01    -0.09  -0.09  -0.02
   114   1    -0.09   0.09  -0.05    -0.02   0.02  -0.02     0.05   0.00   0.02
   115   1     0.06  -0.06   0.03     0.04  -0.00   0.02    -0.12  -0.04  -0.04
   116   1    -0.10   0.06  -0.05    -0.05  -0.02  -0.02     0.14   0.11   0.04
   117   1     0.14   0.01  -0.03     0.01  -0.01  -0.00     0.10  -0.16   0.03
   118   1    -0.11  -0.05   0.04    -0.02  -0.00   0.01    -0.12   0.08   0.00
   119   1     0.15   0.09  -0.06     0.01   0.01  -0.01     0.05  -0.01  -0.01
   120   1    -0.14  -0.02   0.04    -0.01   0.01  -0.00    -0.06   0.11  -0.02
   121   1     0.00  -0.16   0.05     0.01  -0.02   0.00     0.12  -0.04  -0.02
   122   1     0.04   0.16  -0.06    -0.01   0.01  -0.01    -0.02   0.04  -0.01
   123   1    -0.02  -0.11   0.04     0.01  -0.01   0.00     0.09  -0.10   0.01
   124   1    -0.00   0.15  -0.04    -0.01   0.02  -0.00    -0.18   0.08   0.02
   125   1     0.02   0.03  -0.03    -0.17  -0.05   0.06    -0.02   0.00   0.00
   126   1     0.02  -0.05   0.04     0.09   0.08  -0.08     0.00   0.01  -0.01
   127   1    -0.03   0.05  -0.04    -0.01  -0.07   0.08     0.01  -0.01   0.00
   128   1    -0.00  -0.03   0.02     0.12   0.04  -0.04     0.01  -0.01   0.01
   129   1     0.07  -0.03   0.02    -0.13  -0.03   0.05    -0.02  -0.00   0.01
   130   1    -0.06   0.01  -0.01     0.10  -0.03   0.03     0.01   0.01  -0.01
   131   1     0.03  -0.01   0.00    -0.14  -0.01   0.02    -0.01  -0.01   0.01
   132   1    -0.05   0.02  -0.02     0.16   0.06  -0.06     0.01   0.01  -0.01
   133   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
   134   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
   135   1     0.01  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   136   1    -0.00  -0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
   137   1    -0.00  -0.00  -0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
   138   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
   139   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   140   1    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
   141   1     0.00  -0.00  -0.01    -0.00   0.00   0.01    -0.00   0.00   0.01
   142   1     0.00   0.01   0.00    -0.00  -0.00   0.00     0.00  -0.01  -0.00
   143  17     0.00   0.00   0.00     0.00   0.00  -0.01    -0.00   0.00  -0.00
                    124                    125                    126
                      A                      A                      A
 Frequencies --    640.4910               641.3490               643.2534
 Red. masses --      4.8135                 4.9904                 5.9084
 Frc consts  --      1.1634                 1.2094                 1.4404
 IR Inten    --     13.8064                 7.2763                 1.1514
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.03    -0.02  -0.03  -0.06    -0.04  -0.03  -0.03
     2   6    -0.00  -0.02   0.00    -0.06   0.00   0.03    -0.09   0.01   0.01
     3   6     0.00  -0.01  -0.02     0.00   0.08  -0.02     0.01   0.12   0.01
     4   6     0.00   0.01   0.02     0.03   0.02  -0.05     0.05   0.03  -0.01
     5   6     0.00   0.00  -0.00     0.08   0.02  -0.03     0.11   0.02  -0.02
     6   6    -0.01  -0.01   0.00     0.01  -0.06   0.03     0.01  -0.09   0.02
     7   6    -0.00  -0.00  -0.02     0.01   0.07   0.04     0.06   0.11   0.01
     8   6    -0.02  -0.00   0.02    -0.01   0.04  -0.02    -0.00   0.07   0.00
     9   6    -0.00  -0.00  -0.02     0.02  -0.04   0.01     0.05  -0.03   0.04
    10   6    -0.00   0.00  -0.01    -0.01  -0.01   0.08    -0.01  -0.05   0.02
    11   6    -0.01  -0.01  -0.01     0.06  -0.03   0.03     0.11  -0.07   0.04
    12   6    -0.01  -0.01   0.04     0.01  -0.04  -0.04    -0.03  -0.08   0.00
    13   6     0.01  -0.00   0.00    -0.04  -0.07  -0.01    -0.07  -0.10  -0.04
    14   6     0.01  -0.00   0.00    -0.08   0.05  -0.03    -0.14   0.09  -0.05
    15   7     0.00   0.01   0.01     0.05  -0.01  -0.02     0.08  -0.00  -0.01
    16   6     0.00   0.00   0.01     0.05   0.04  -0.00     0.06   0.01  -0.06
    17   6    -0.01  -0.00  -0.01    -0.01   0.01  -0.08     0.02   0.09   0.05
    18   7    -0.00   0.00   0.00    -0.04  -0.01   0.02    -0.05  -0.02  -0.03
    19   6     0.01  -0.00  -0.00     0.00  -0.02   0.03    -0.01  -0.07  -0.01
    20   6     0.01  -0.00  -0.00    -0.00  -0.06   0.00    -0.01  -0.02   0.07
    21   6     0.00   0.00   0.01    -0.02   0.01   0.09    -0.11  -0.08  -0.11
    22   6    -0.00  -0.00   0.00     0.00   0.02  -0.03    -0.01   0.09   0.01
    23   6     0.02   0.01  -0.11     0.00   0.00   0.04    -0.00   0.01   0.03
    24   6     0.03   0.04  -0.10    -0.02   0.00   0.01    -0.04   0.01  -0.05
    25   6    -0.01  -0.01  -0.03    -0.07  -0.04  -0.11    -0.04   0.01   0.11
    26   6     0.10  -0.03   0.02    -0.04  -0.01   0.01     0.01  -0.04  -0.01
    27   6     0.03   0.11   0.05    -0.01  -0.03  -0.04     0.01  -0.00  -0.03
    28   6    -0.02   0.07  -0.02     0.02  -0.01   0.01     0.04   0.03   0.01
    29   6    -0.11   0.05  -0.01     0.04   0.01  -0.00    -0.00   0.05   0.01
    30   6    -0.04  -0.09  -0.04     0.01   0.03   0.04    -0.00   0.01   0.04
    31   6    -0.11  -0.01  -0.00     0.06  -0.01   0.02     0.06  -0.01   0.03
    32   6    -0.01   0.12   0.01     0.02  -0.06  -0.02     0.03  -0.05  -0.02
    33   6     0.04   0.06  -0.03    -0.02  -0.03   0.01    -0.01  -0.03   0.01
    34   6     0.12   0.02   0.02    -0.06   0.01  -0.02    -0.06   0.01  -0.03
    35   6     0.01  -0.10   0.00    -0.02   0.06   0.02    -0.03   0.05   0.02
    36   6    -0.01  -0.02   0.01    -0.07  -0.08   0.05     0.05   0.17  -0.00
    37   6    -0.03   0.02   0.00    -0.13   0.10   0.04     0.10   0.00  -0.04
    38   6    -0.01   0.01  -0.01    -0.01   0.08  -0.07     0.10  -0.04   0.01
    39   6     0.01   0.03  -0.01     0.07   0.11  -0.04    -0.04  -0.15  -0.00
    40   6     0.02  -0.01  -0.00     0.13  -0.08  -0.04    -0.09   0.01   0.03
    41   7    -0.06  -0.06   0.05    -0.00  -0.00  -0.02    -0.00  -0.02  -0.02
    42   7     0.02  -0.08   0.04     0.02  -0.01  -0.01     0.05  -0.04   0.01
    43   7     0.01  -0.01   0.02     0.08  -0.04   0.07     0.03   0.03  -0.07
    44   6    -0.04  -0.08  -0.00    -0.00  -0.01   0.00    -0.02  -0.03  -0.00
    45   6    -0.07  -0.02  -0.03    -0.01  -0.01  -0.00    -0.04  -0.02  -0.01
    46   6     0.07   0.03   0.02     0.01   0.00   0.01     0.04   0.02   0.01
    47   6     0.07  -0.03   0.04     0.02  -0.01   0.01     0.06  -0.04   0.03
    48   6    -0.10  -0.00   0.03     0.00  -0.00   0.00    -0.00  -0.00   0.00
    49   6    -0.06   0.06  -0.00     0.00  -0.01   0.00    -0.01   0.00   0.00
    50   6     0.06  -0.05  -0.00    -0.01  -0.00   0.00     0.00  -0.01   0.00
    51   6     0.01  -0.09   0.03    -0.00   0.00   0.00    -0.00  -0.02   0.01
    52   6    -0.01  -0.02   0.02    -0.04  -0.05   0.05     0.02   0.06  -0.05
    53   6    -0.02  -0.01   0.01    -0.08  -0.02   0.02     0.04   0.01  -0.00
    54   6     0.02   0.01  -0.01     0.07   0.03  -0.04    -0.03  -0.02   0.02
    55   6     0.02  -0.01   0.00     0.11  -0.03   0.02    -0.02  -0.01   0.01
    56   6     0.09   0.06   0.03     0.02   0.02   0.00     0.05   0.05   0.01
    57   6    -0.05   0.03  -0.03    -0.02   0.01  -0.00    -0.05   0.04  -0.02
    58   6    -0.05   0.00  -0.02    -0.01  -0.00  -0.01    -0.03  -0.02  -0.01
    59   6    -0.04  -0.03  -0.02    -0.02  -0.02   0.00    -0.04  -0.05  -0.00
    60   6     0.06   0.00   0.02     0.01   0.01   0.01     0.01   0.02   0.00
    61   6     0.03   0.04   0.01     0.00   0.01  -0.01     0.01   0.03  -0.00
    62   6     0.03   0.07  -0.01    -0.00   0.01   0.00     0.01   0.02   0.00
    63   6    -0.10  -0.02  -0.04    -0.02  -0.01  -0.01    -0.06  -0.02  -0.02
    64   6     0.11  -0.06  -0.00    -0.00  -0.00  -0.00     0.02  -0.01  -0.01
    65   6    -0.00   0.07  -0.03     0.00  -0.00   0.01     0.00   0.02   0.00
    66   6    -0.02   0.05  -0.01     0.00   0.00  -0.01    -0.01   0.00  -0.01
    67   6    -0.06   0.03   0.00    -0.00   0.00   0.00    -0.02   0.00   0.01
    68   6     0.03  -0.06   0.01     0.00  -0.00   0.01     0.01  -0.00   0.00
    69   6     0.05  -0.02  -0.00    -0.00   0.00  -0.01     0.01   0.00  -0.01
    70   6     0.07   0.01  -0.03    -0.00   0.00   0.00     0.00   0.00   0.00
    71   6    -0.07   0.10  -0.01    -0.00  -0.00  -0.00    -0.01   0.01  -0.00
    72   6     0.02   0.01  -0.01     0.09   0.06  -0.06    -0.05  -0.01   0.00
    73   6    -0.02   0.01  -0.01    -0.09   0.03  -0.03    -0.00   0.01  -0.00
    74   6    -0.01   0.00   0.00    -0.05  -0.01   0.02     0.02  -0.02   0.01
    75   6    -0.01  -0.01   0.01    -0.04  -0.05   0.04     0.01  -0.02   0.03
    76   6     0.02   0.00  -0.00     0.04   0.01  -0.02    -0.06   0.02  -0.01
    77   6     0.01   0.01  -0.01     0.03   0.04  -0.03    -0.04   0.00  -0.01
    78   6     0.00   0.01  -0.01     0.01   0.03  -0.04    -0.02  -0.05   0.05
    79   6    -0.03  -0.00   0.01    -0.11  -0.03   0.04     0.06  -0.01   0.00
    80   8    -0.00   0.00   0.00    -0.01  -0.00   0.01    -0.01  -0.01   0.01
    81  15     0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.01  -0.01   0.01
    82   8     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.01
    83   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.01   0.01
    84   6    -0.00   0.00   0.00     0.00  -0.00  -0.01     0.00  -0.01  -0.01
    85   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    86   6    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.00   0.01  -0.01
    87   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    88   1     0.00  -0.04  -0.03    -0.04  -0.03   0.15    -0.06  -0.05   0.04
    89   1    -0.00   0.01  -0.05     0.07   0.07   0.07     0.09   0.08  -0.01
    90   1    -0.04  -0.01  -0.06    -0.02  -0.04   0.17    -0.04  -0.07   0.08
    91   1    -0.00  -0.02  -0.06     0.03  -0.06   0.03     0.08  -0.10   0.03
    92   1     0.05   0.01  -0.08     0.00  -0.08   0.07     0.04  -0.11  -0.00
    93   1     0.04   0.02  -0.05    -0.06   0.08   0.02    -0.12   0.13  -0.00
    94   1     0.00  -0.01  -0.01    -0.08  -0.04  -0.04    -0.06  -0.02   0.09
    95   1     0.00  -0.01  -0.02    -0.03  -0.11  -0.13     0.07   0.13   0.23
    96   1     0.00  -0.01  -0.00     0.08  -0.00  -0.07     0.07   0.12   0.07
    97   1     0.06  -0.22   0.15    -0.03   0.02   0.01     0.02  -0.08   0.08
    98   1    -0.02  -0.00   0.17    -0.01  -0.01  -0.06    -0.04  -0.03   0.01
    99   1    -0.08  -0.03   0.15     0.02   0.01  -0.04    -0.02  -0.01   0.03
   100   1     0.02  -0.24   0.13     0.01   0.04   0.03     0.06  -0.05   0.10
   101   1    -0.17  -0.15   0.17     0.07   0.05  -0.02     0.08   0.02   0.00
   102   1    -0.01   0.04   0.17     0.02  -0.02  -0.09     0.02  -0.02  -0.07
   103   1     0.04  -0.01   0.17    -0.02   0.02  -0.09    -0.03   0.02  -0.08
   104   1    -0.13  -0.18   0.18     0.03   0.08  -0.02     0.02   0.06  -0.00
   105   1     0.03  -0.04   0.05     0.15  -0.16   0.25    -0.03   0.21  -0.18
   106   1    -0.00   0.02   0.04    -0.02   0.07   0.24    -0.05  -0.06  -0.17
   107   1     0.01   0.02   0.03     0.07   0.09   0.20    -0.11  -0.11  -0.15
   108   1     0.04  -0.03   0.05     0.22  -0.15   0.21    -0.08   0.15  -0.16
   109   1     0.13  -0.01   0.07     0.03   0.01   0.00     0.08   0.00   0.03
   110   1    -0.08  -0.04  -0.04    -0.02  -0.00  -0.01    -0.07   0.00  -0.03
   111   1     0.01   0.02   0.01     0.02   0.00  -0.00     0.05  -0.01   0.01
   112   1    -0.08   0.03  -0.04    -0.02  -0.01  -0.01    -0.06  -0.01  -0.02
   113   1     0.05   0.08   0.01     0.01   0.01   0.00     0.01   0.05  -0.00
   114   1    -0.03  -0.00  -0.00     0.00   0.01  -0.01     0.00   0.02  -0.01
   115   1     0.09   0.03   0.03     0.02  -0.00   0.01     0.05  -0.01   0.03
   116   1    -0.10  -0.10  -0.02    -0.02  -0.02  -0.01    -0.05  -0.07  -0.02
   117   1     0.07  -0.14   0.04     0.00   0.00  -0.01     0.01  -0.01  -0.01
   118   1    -0.09   0.06  -0.00     0.00  -0.00   0.01    -0.01   0.02   0.00
   119   1     0.03  -0.01   0.01     0.00  -0.00  -0.01     0.01  -0.02  -0.01
   120   1    -0.02   0.10  -0.02    -0.01  -0.00   0.00    -0.02   0.01   0.00
   121   1     0.10  -0.02  -0.02    -0.00  -0.01   0.00     0.01  -0.00  -0.00
   122   1    -0.02   0.02   0.01    -0.00   0.00  -0.01     0.00   0.00  -0.02
   123   1     0.08  -0.08  -0.00     0.00   0.00   0.01     0.01  -0.01   0.01
   124   1    -0.15   0.05   0.03     0.00   0.00  -0.01    -0.02   0.00  -0.01
   125   1     0.04   0.00  -0.00     0.16   0.01  -0.00    -0.08   0.01  -0.02
   126   1    -0.02  -0.01   0.01    -0.11  -0.03   0.02     0.01   0.05  -0.03
   127   1     0.01   0.00  -0.00     0.05   0.01   0.01     0.04  -0.03  -0.01
   128   1    -0.03   0.00  -0.00    -0.11   0.01   0.00     0.03  -0.04   0.03
   129   1     0.01   0.02  -0.02     0.02   0.08  -0.07    -0.05  -0.03   0.03
   130   1    -0.01   0.00   0.00    -0.01   0.02   0.00     0.02   0.03  -0.05
   131   1     0.02   0.01  -0.01     0.10   0.01  -0.02    -0.03  -0.04   0.05
   132   1    -0.02  -0.02   0.02    -0.09  -0.09   0.10     0.05   0.03  -0.04
   133   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
   134   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
   135   1     0.00  -0.00   0.00    -0.01   0.01  -0.01    -0.02   0.01  -0.01
   136   1    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.01
   137   1     0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.01
   138   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.01
   139   1    -0.00   0.00   0.00     0.00   0.01  -0.01     0.00   0.00  -0.01
   140   1    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00  -0.02  -0.00
   141   1     0.00  -0.00  -0.01    -0.00   0.01   0.02    -0.01   0.01   0.03
   142   1    -0.00   0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.02  -0.00
   143  17     0.00  -0.00  -0.00     0.00   0.00  -0.01    -0.00   0.00  -0.00
                    127                    128                    129
                      A                      A                      A
 Frequencies --    649.9849               660.4974               662.3966
 Red. masses --      5.6835                 6.8598                 5.8172
 Frc consts  --      1.4147                 1.7632                 1.5038
 IR Inten    --      0.7353                14.5915                 1.6556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02  -0.14    -0.02  -0.01   0.01     0.01   0.04   0.09
     2   6    -0.01   0.03   0.04    -0.14   0.02  -0.03     0.03   0.03  -0.01
     3   6    -0.02  -0.00   0.10    -0.05   0.10   0.04    -0.01  -0.03  -0.03
     4   6    -0.02  -0.01   0.01    -0.01   0.02  -0.01    -0.03  -0.01   0.07
     5   6    -0.02  -0.03  -0.04     0.10  -0.03   0.03    -0.04  -0.02   0.02
     6   6     0.02   0.02   0.06     0.04  -0.11  -0.02     0.01   0.03  -0.01
     7   6     0.04  -0.02  -0.09     0.13   0.08   0.01     0.03  -0.04  -0.06
     8   6     0.02  -0.01   0.00     0.05   0.05   0.01     0.01  -0.03   0.06
     9   6     0.01   0.03   0.01     0.02   0.04   0.03     0.01   0.02  -0.01
    10   6     0.02   0.03  -0.02     0.00   0.01  -0.09     0.00   0.00  -0.08
    11   6     0.02  -0.02  -0.05     0.19  -0.05   0.04    -0.01   0.02   0.00
    12   6    -0.07  -0.03   0.16    -0.05  -0.04   0.06    -0.04   0.02   0.08
    13   6     0.02   0.01  -0.07    -0.08  -0.07  -0.06    -0.01   0.05   0.01
    14   6    -0.02  -0.02   0.05    -0.13   0.05  -0.04     0.03  -0.02   0.00
    15   7    -0.02  -0.01  -0.01    -0.04  -0.02   0.01    -0.02  -0.00   0.02
    16   6    -0.01  -0.02   0.01    -0.07  -0.04  -0.01    -0.04  -0.03  -0.00
    17   6     0.01  -0.02   0.00    -0.02  -0.01   0.08    -0.01  -0.01   0.06
    18   7     0.04   0.02  -0.01     0.02   0.05  -0.01     0.02   0.04  -0.02
    19   6    -0.00  -0.00   0.01    -0.01   0.05  -0.02    -0.00   0.01  -0.02
    20   6    -0.01   0.01  -0.02     0.01   0.01  -0.02     0.01   0.01  -0.00
    21   6     0.01   0.03   0.02     0.05  -0.01  -0.06     0.02  -0.02  -0.07
    22   6    -0.00  -0.01  -0.01    -0.01  -0.09   0.03    -0.01  -0.05   0.03
    23   6     0.00   0.02   0.07    -0.03  -0.03  -0.00     0.02   0.05  -0.00
    24   6     0.02  -0.03  -0.07    -0.03  -0.02  -0.02    -0.02   0.04  -0.00
    25   6     0.01  -0.01  -0.01     0.08  -0.02  -0.01     0.05  -0.01   0.00
    26   6     0.21  -0.03  -0.05     0.03  -0.05  -0.03    -0.16   0.00  -0.01
    27   6     0.09   0.10   0.12     0.02  -0.01  -0.02    -0.08  -0.10  -0.08
    28   6    -0.02   0.08   0.01     0.03   0.02   0.03     0.02  -0.00  -0.04
    29   6    -0.19   0.01   0.03    -0.02   0.03   0.02     0.15   0.01   0.01
    30   6    -0.08  -0.13  -0.14    -0.01  -0.01   0.01     0.08   0.11   0.09
    31   6     0.15  -0.02   0.07    -0.14   0.02  -0.04     0.16  -0.03   0.05
    32   6     0.06  -0.12  -0.05    -0.05   0.11   0.03     0.07  -0.13  -0.03
    33   6    -0.04  -0.06   0.02     0.01   0.01   0.05     0.01  -0.02  -0.05
    34   6    -0.14   0.02  -0.07     0.11  -0.04   0.03    -0.15   0.04  -0.05
    35   6    -0.05   0.13   0.06     0.03  -0.14  -0.04    -0.07   0.14   0.03
    36   6    -0.02  -0.04  -0.00    -0.08  -0.17   0.01    -0.05  -0.11   0.01
    37   6    -0.03  -0.00   0.02    -0.12  -0.02   0.05    -0.08  -0.01   0.03
    38   6    -0.01   0.01   0.01    -0.06   0.01   0.06    -0.03   0.00   0.05
    39   6     0.02   0.03   0.00     0.09   0.15  -0.01     0.06   0.09  -0.01
    40   6     0.03  -0.01  -0.02     0.14   0.01  -0.05     0.09   0.00  -0.03
    41   7    -0.01  -0.02  -0.04     0.04   0.04   0.03    -0.03  -0.06  -0.03
    42   7    -0.02   0.04   0.05     0.03   0.02   0.01     0.04  -0.05  -0.04
    43   7    -0.01   0.01   0.01    -0.07   0.05   0.03    -0.04   0.04   0.02
    44   6     0.01   0.04  -0.00     0.01   0.03  -0.00    -0.03  -0.05  -0.01
    45   6     0.02   0.01  -0.00     0.00  -0.00   0.00    -0.05  -0.00  -0.01
    46   6    -0.02  -0.01  -0.02    -0.00   0.00  -0.00     0.04   0.03   0.02
    47   6    -0.02   0.01  -0.01     0.01  -0.01   0.01     0.06  -0.03   0.02
    48   6    -0.00  -0.00   0.00     0.06   0.00  -0.01    -0.05   0.00   0.01
    49   6    -0.01   0.00   0.01     0.03  -0.04  -0.00    -0.03   0.05   0.01
    50   6     0.00  -0.00   0.01    -0.04   0.02  -0.01     0.05  -0.02   0.01
    51   6    -0.01  -0.01   0.01    -0.01   0.05  -0.01     0.01  -0.07   0.02
    52   6     0.00   0.00  -0.00     0.02   0.02  -0.01     0.02   0.02  -0.01
    53   6     0.01   0.00  -0.00     0.05  -0.00  -0.02     0.03  -0.00  -0.01
    54   6    -0.01  -0.00   0.00    -0.04  -0.03   0.02    -0.03  -0.02   0.01
    55   6    -0.02   0.01  -0.00    -0.09   0.04  -0.02    -0.06   0.02  -0.01
    56   6    -0.04  -0.02   0.00    -0.00   0.01  -0.00     0.06   0.04   0.00
    57   6     0.02  -0.01  -0.01    -0.02   0.01  -0.01    -0.05   0.03  -0.01
    58   6     0.01  -0.00   0.02    -0.00  -0.02   0.00    -0.02  -0.02  -0.02
    59   6     0.02   0.01  -0.01    -0.01  -0.03   0.00    -0.03  -0.03   0.01
    60   6    -0.03   0.01  -0.03    -0.02   0.02  -0.02     0.02  -0.00   0.02
    61   6    -0.02  -0.01   0.01    -0.01   0.01  -0.01     0.03   0.00  -0.00
    62   6    -0.00  -0.04  -0.01    -0.01  -0.03   0.00     0.01   0.05   0.02
    63   6     0.03   0.00   0.03     0.01  -0.01   0.01    -0.05  -0.01  -0.04
    64   6     0.01  -0.00  -0.01    -0.05   0.03   0.01     0.06  -0.03  -0.02
    65   6     0.01   0.02   0.00     0.00  -0.04  -0.00     0.00   0.07  -0.00
    66   6    -0.01   0.00  -0.01     0.02  -0.01   0.01    -0.04   0.01  -0.01
    67   6    -0.02   0.01   0.02     0.02  -0.01  -0.01    -0.05   0.00   0.02
    68   6     0.01  -0.00   0.01    -0.01   0.03  -0.02     0.01  -0.02   0.01
    69   6     0.00   0.00  -0.01    -0.01   0.03   0.01     0.02  -0.02  -0.01
    70   6     0.00   0.01   0.01    -0.05  -0.01  -0.00     0.04   0.01   0.01
    71   6    -0.01   0.01  -0.01     0.04  -0.05   0.02    -0.04   0.04  -0.02
    72   6    -0.01  -0.01   0.01    -0.04  -0.04   0.06    -0.03  -0.03   0.04
    73   6     0.02  -0.01   0.00     0.09  -0.04   0.01     0.05  -0.03   0.00
    74   6     0.01   0.01  -0.00     0.02   0.05  -0.02     0.02   0.03  -0.01
    75   6     0.01   0.01  -0.01     0.02   0.05  -0.07     0.01   0.03  -0.04
    76   6    -0.00  -0.00   0.00     0.01  -0.02   0.01     0.00  -0.01   0.00
    77   6    -0.00  -0.00   0.01    -0.01  -0.01   0.03    -0.01  -0.00   0.02
    78   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.01    -0.01  -0.01  -0.00
    79   6     0.01   0.01  -0.00     0.05   0.03  -0.01     0.03   0.02  -0.01
    80   8     0.00  -0.00  -0.00     0.02  -0.01  -0.01     0.01  -0.00  -0.00
    81  15     0.00   0.00  -0.00     0.01   0.02  -0.02     0.00   0.01  -0.01
    82   8     0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    83   8    -0.00   0.00   0.00    -0.01   0.00   0.02    -0.00  -0.00   0.00
    84   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    85   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    86   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
    87   6     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    88   1    -0.02   0.07   0.07    -0.14   0.00  -0.08     0.01   0.05  -0.14
    89   1    -0.01  -0.06  -0.04     0.10  -0.02   0.02    -0.03  -0.08  -0.15
    90   1     0.08   0.03   0.22     0.02  -0.10  -0.04     0.06  -0.00  -0.22
    91   1     0.05  -0.01  -0.11     0.21  -0.03   0.03     0.05   0.06  -0.06
    92   1     0.10   0.04  -0.28     0.00  -0.07  -0.09     0.01   0.08  -0.16
    93   1    -0.03  -0.04   0.03    -0.15   0.03  -0.00     0.03  -0.04  -0.11
    94   1     0.03  -0.01  -0.00     0.05   0.08   0.07     0.04   0.04   0.05
    95   1    -0.02  -0.01  -0.06    -0.01   0.01   0.10     0.01   0.04   0.12
    96   1    -0.04  -0.02  -0.02    -0.06  -0.08   0.05    -0.04  -0.03   0.06
    97   1     0.18  -0.14   0.00     0.04  -0.03  -0.02    -0.14  -0.03   0.07
    98   1     0.01   0.02   0.22    -0.05  -0.00  -0.03    -0.07  -0.15  -0.03
    99   1    -0.16  -0.04   0.16    -0.03   0.03  -0.01     0.13  -0.06   0.05
   100   1     0.01  -0.20  -0.06     0.05  -0.00  -0.00     0.06   0.05   0.15
   101   1     0.18   0.08  -0.03    -0.09   0.01  -0.11     0.13  -0.06   0.12
   102   1     0.05  -0.05  -0.20     0.01   0.14  -0.03     0.01  -0.15   0.02
   103   1    -0.06   0.05  -0.20     0.13   0.03  -0.03    -0.18  -0.00   0.02
   104   1     0.06   0.17  -0.03     0.03  -0.10  -0.11    -0.06   0.10   0.11
   105   1    -0.02  -0.04  -0.00    -0.14  -0.15  -0.05    -0.10  -0.09  -0.04
   106   1    -0.01   0.01   0.02    -0.09   0.07  -0.03    -0.07   0.04  -0.05
   107   1     0.02   0.03   0.01     0.09   0.16  -0.10     0.05   0.10  -0.09
   108   1     0.01  -0.03  -0.01     0.04  -0.05  -0.11     0.03  -0.02  -0.09
   109   1    -0.06   0.00   0.01     0.00   0.01   0.00     0.10  -0.02   0.01
   110   1     0.04   0.02  -0.01    -0.01   0.02  -0.01    -0.07  -0.01  -0.01
   111   1    -0.02  -0.00   0.03     0.03  -0.01   0.02     0.04  -0.02  -0.01
   112   1     0.03  -0.00   0.01    -0.01  -0.02  -0.00    -0.05   0.01  -0.01
   113   1    -0.03  -0.01  -0.02    -0.02   0.01  -0.01     0.02   0.05   0.02
   114   1     0.01   0.03   0.04     0.02   0.03   0.00     0.00  -0.03  -0.03
   115   1    -0.02  -0.03  -0.03    -0.00  -0.03   0.00     0.04   0.03   0.04
   116   1     0.03   0.03   0.04     0.01   0.00   0.01    -0.04  -0.08  -0.04
   117   1     0.01  -0.01  -0.02    -0.02   0.08   0.01     0.03  -0.10  -0.01
   118   1    -0.00   0.02   0.01     0.03  -0.04  -0.01    -0.03   0.06   0.01
   119   1     0.00  -0.02  -0.03     0.00   0.03   0.02    -0.00  -0.05  -0.02
   120   1    -0.02   0.00   0.01     0.01  -0.05  -0.00    -0.02   0.06   0.01
   121   1     0.00  -0.01   0.00    -0.05   0.01  -0.01     0.05   0.01   0.00
   122   1    -0.00  -0.00  -0.03     0.04   0.01   0.02    -0.02  -0.01  -0.03
   123   1     0.01  -0.01   0.02    -0.05   0.02  -0.01     0.05  -0.03   0.02
   124   1    -0.01   0.00  -0.02     0.09  -0.01   0.01    -0.10   0.01  -0.01
   125   1    -0.02   0.00   0.01    -0.10   0.02   0.03    -0.07   0.01   0.02
   126   1     0.02  -0.00  -0.00     0.09  -0.03  -0.01     0.06  -0.01  -0.01
   127   1    -0.01   0.01   0.01    -0.08   0.04   0.02    -0.05   0.03   0.01
   128   1     0.01   0.00  -0.01     0.07   0.01  -0.03     0.05   0.00  -0.02
   129   1    -0.00  -0.01   0.01     0.01  -0.05   0.02     0.01  -0.04   0.01
   130   1     0.00   0.00   0.01    -0.01  -0.00   0.04    -0.00   0.00   0.02
   131   1    -0.01  -0.00  -0.00    -0.06  -0.00  -0.02    -0.04  -0.01  -0.01
   132   1     0.01   0.02  -0.01     0.04   0.08  -0.03     0.03   0.06  -0.02
   133   1    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
   134   1    -0.00   0.00  -0.00    -0.00   0.01   0.00    -0.00   0.00   0.00
   135   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   136   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   137   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   138   1     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.01   0.00
   139   1     0.00  -0.00   0.00     0.00  -0.01   0.01     0.00  -0.01   0.01
   140   1     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00   0.00  -0.00
   141   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.01  -0.01
   142   1     0.00  -0.00  -0.00     0.00  -0.01  -0.01     0.00  -0.00  -0.00
   143  17    -0.00   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
                    130                    131                    132
                      A                      A                      A
 Frequencies --    663.5330               671.8101               674.0108
 Red. masses --      5.9512                 6.9050                 4.6335
 Frc consts  --      1.5438                 1.8361                 1.2402
 IR Inten    --      4.5487                12.3224                 3.6199
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03   0.01    -0.07   0.04  -0.08    -0.01   0.02   0.22
     2   6    -0.02   0.03   0.00     0.11   0.01   0.01    -0.01   0.01  -0.04
     3   6    -0.01   0.02  -0.03     0.10   0.01   0.05     0.01   0.03  -0.13
     4   6     0.00  -0.02   0.01     0.09  -0.06  -0.00     0.03  -0.00  -0.01
     5   6     0.01  -0.05   0.00    -0.01  -0.08  -0.02     0.05  -0.00   0.06
     6   6     0.02  -0.05   0.00    -0.03  -0.09   0.03     0.01  -0.05  -0.07
     7   6     0.07   0.02   0.02    -0.05   0.04  -0.03    -0.03   0.03   0.14
     8   6     0.04   0.02   0.04    -0.08  -0.00  -0.03    -0.01   0.01   0.01
     9   6     0.04   0.00  -0.05    -0.03   0.00   0.03     0.01  -0.01  -0.01
    10   6     0.03   0.03  -0.01     0.06   0.04   0.01     0.01   0.00   0.00
    11   6     0.10  -0.03   0.01    -0.05   0.03  -0.03     0.04  -0.02   0.05
    12   6    -0.06  -0.03   0.06     0.03  -0.00   0.08     0.08   0.01  -0.21
    13   6    -0.04   0.01  -0.04    -0.00  -0.07  -0.03    -0.04  -0.06   0.05
    14   6    -0.06   0.04   0.00    -0.04  -0.04   0.00    -0.02   0.02  -0.07
    15   7    -0.04  -0.02   0.03    -0.03  -0.04   0.03    -0.00  -0.01   0.02
    16   6    -0.07  -0.01   0.08    -0.01   0.00   0.01    -0.02  -0.00   0.01
    17   6    -0.09  -0.11  -0.06    -0.12   0.01   0.02    -0.04  -0.01   0.02
    18   7     0.03   0.07   0.02    -0.00   0.17  -0.08    -0.01   0.04  -0.02
    19   6    -0.00   0.09  -0.01     0.10   0.08  -0.06     0.01   0.04  -0.02
    20   6     0.00   0.06  -0.06     0.15  -0.01  -0.04     0.03   0.01  -0.01
    21   6     0.08   0.10   0.13    -0.03  -0.01   0.03     0.01  -0.01  -0.01
    22   6    -0.07  -0.11   0.04    -0.11  -0.11   0.06    -0.03  -0.05   0.03
    23   6    -0.04   0.03   0.00    -0.10   0.07   0.00    -0.01   0.04  -0.02
    24   6    -0.05  -0.01  -0.02     0.07   0.04   0.02     0.01  -0.03   0.02
    25   6     0.05   0.06  -0.05    -0.06  -0.03   0.03     0.01  -0.00  -0.00
    26   6    -0.03  -0.04  -0.03    -0.03   0.05   0.03     0.10  -0.02   0.04
    27   6    -0.01  -0.06  -0.05    -0.03   0.04   0.04     0.06   0.07   0.03
    28   6     0.05   0.02   0.01    -0.07  -0.02  -0.04    -0.01  -0.04   0.06
    29   6     0.03   0.03   0.02     0.06  -0.04  -0.02    -0.10   0.01  -0.03
    30   6     0.01   0.04   0.04     0.06  -0.02  -0.03    -0.06  -0.08  -0.02
    31   6     0.02   0.01   0.02    -0.01   0.09   0.05     0.08   0.00   0.00
    32   6     0.03   0.01   0.01     0.02   0.10   0.05     0.04  -0.05   0.02
    33   6     0.03  -0.03   0.01     0.09  -0.08   0.02     0.04  -0.00  -0.06
    34   6    -0.03  -0.02  -0.02    -0.02  -0.06  -0.04    -0.10   0.01  -0.01
    35   6    -0.04  -0.02  -0.01    -0.05  -0.07  -0.05    -0.05   0.06  -0.03
    36   6     0.14   0.06  -0.06    -0.02   0.01   0.04     0.00  -0.02   0.00
    37   6     0.16  -0.07  -0.08    -0.04   0.05   0.01    -0.01  -0.00  -0.00
    38   6    -0.08  -0.05  -0.02     0.08   0.03   0.01    -0.00  -0.00   0.02
    39   6    -0.13  -0.06   0.05     0.01  -0.04  -0.03     0.01   0.02  -0.01
    40   6    -0.15   0.07   0.08     0.03  -0.08  -0.00     0.02  -0.00   0.00
    41   7     0.03  -0.03  -0.00     0.09  -0.06   0.01     0.00  -0.05  -0.02
    42   7     0.05  -0.00   0.00    -0.06  -0.04  -0.03    -0.03   0.04   0.02
    43   7    -0.03  -0.10   0.00     0.06   0.03  -0.02    -0.01   0.00   0.00
    44   6    -0.00   0.01  -0.01    -0.02  -0.07   0.00     0.02   0.04   0.01
    45   6    -0.01  -0.00  -0.00    -0.02  -0.00  -0.01     0.05   0.00   0.01
    46   6     0.01   0.01   0.01    -0.00   0.00   0.00    -0.03  -0.03  -0.02
    47   6     0.04  -0.03   0.02    -0.03   0.03  -0.02    -0.05   0.02  -0.02
    48   6     0.02   0.01  -0.01     0.09   0.03  -0.03    -0.02   0.01  -0.00
    49   6     0.00  -0.00   0.00     0.02  -0.03   0.00    -0.01   0.03   0.00
    50   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.04  -0.01   0.00
    51   6    -0.01  -0.03   0.01    -0.02  -0.06   0.02     0.00  -0.07   0.01
    52   6    -0.03  -0.09   0.07     0.01   0.05  -0.04     0.00  -0.00   0.00
    53   6    -0.06   0.00   0.02     0.02   0.00  -0.00     0.00  -0.00  -0.00
    54   6     0.04   0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    55   6     0.03   0.00  -0.01     0.03  -0.02   0.02    -0.01   0.00  -0.00
    56   6     0.02   0.03  -0.00     0.00  -0.03   0.01    -0.05  -0.03  -0.00
    57   6    -0.04   0.03  -0.02     0.04  -0.03   0.03     0.04  -0.02   0.01
    58   6    -0.01  -0.03  -0.00     0.00   0.04  -0.01     0.01   0.02   0.02
    59   6    -0.02  -0.05   0.01     0.02   0.07  -0.01     0.02   0.02  -0.01
    60   6    -0.02   0.02  -0.01     0.06  -0.05   0.04    -0.02   0.01  -0.02
    61   6    -0.00   0.02  -0.01     0.04  -0.03   0.02    -0.03   0.00   0.00
    62   6    -0.01  -0.02   0.01     0.02   0.07  -0.00    -0.01  -0.04  -0.01
    63   6    -0.01  -0.02  -0.00    -0.04   0.03  -0.02     0.04   0.01   0.03
    64   6     0.02   0.01  -0.01     0.04   0.03  -0.01     0.05  -0.02  -0.02
    65   6     0.00   0.03  -0.01     0.01   0.07  -0.03    -0.00   0.06  -0.01
    66   6    -0.02  -0.01   0.01    -0.04  -0.02   0.02    -0.04  -0.00   0.00
    67   6    -0.04  -0.01   0.01    -0.09  -0.02   0.03    -0.05  -0.01   0.02
    68   6     0.00   0.03  -0.01     0.01   0.11  -0.04     0.01   0.01  -0.00
    69   6     0.00   0.02  -0.01     0.01   0.07  -0.02     0.01  -0.01  -0.01
    70   6    -0.03  -0.01   0.01    -0.10  -0.02   0.03     0.01  -0.00   0.01
    71   6    -0.01  -0.02   0.01     0.00  -0.07   0.03    -0.03   0.02  -0.01
    72   6     0.06   0.00  -0.03    -0.01   0.02  -0.02    -0.00  -0.01   0.01
    73   6    -0.01   0.01   0.02    -0.04   0.02  -0.02     0.01  -0.00   0.00
    74   6    -0.03  -0.01  -0.02     0.00  -0.02   0.02     0.00   0.01  -0.00
    75   6    -0.01   0.02  -0.01    -0.01  -0.05   0.04     0.00   0.01  -0.01
    76   6     0.09  -0.02   0.03    -0.06   0.03  -0.02     0.00  -0.00   0.00
    77   6     0.06  -0.02  -0.01    -0.04   0.02  -0.01     0.00  -0.00   0.00
    78   6     0.02   0.09  -0.06    -0.01  -0.05   0.04    -0.00   0.00  -0.00
    79   6    -0.09  -0.00  -0.01     0.04  -0.01   0.01     0.00   0.00  -0.00
    80   8     0.04  -0.01  -0.01     0.02  -0.01  -0.00     0.01  -0.00  -0.00
    81  15     0.01   0.04  -0.03     0.00   0.02  -0.02     0.00   0.01  -0.01
    82   8    -0.02  -0.01   0.01    -0.01  -0.00   0.00    -0.01  -0.00   0.00
    83   8    -0.01   0.00   0.02    -0.01   0.00   0.01    -0.01   0.00   0.01
    84   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    85   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    86   6    -0.00  -0.01   0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    87   6     0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    88   1    -0.02   0.03   0.03     0.15  -0.11   0.06    -0.00  -0.03  -0.14
    89   1     0.01  -0.06  -0.00    -0.04   0.02   0.04     0.05   0.01   0.01
    90   1     0.08  -0.06  -0.01     0.08  -0.09   0.16     0.00  -0.09  -0.36
    91   1     0.18   0.02  -0.08    -0.08  -0.04  -0.10    -0.01  -0.04   0.14
    92   1     0.06   0.02  -0.15    -0.02  -0.05  -0.13    -0.11  -0.11   0.36
    93   1    -0.06   0.02  -0.06     0.01   0.02   0.00    -0.02   0.03   0.01
    94   1     0.03   0.02  -0.16     0.09   0.08  -0.05     0.01   0.04  -0.01
    95   1    -0.09  -0.11  -0.28     0.17   0.01  -0.06     0.02   0.00   0.02
    96   1    -0.20  -0.13  -0.02    -0.11  -0.11   0.06    -0.05  -0.04   0.05
    97   1    -0.01  -0.03   0.02    -0.07  -0.02   0.02     0.10   0.09  -0.07
    98   1    -0.07  -0.07  -0.03     0.06  -0.00   0.08     0.07   0.20  -0.11
    99   1    -0.00  -0.02   0.01     0.11  -0.02   0.07    -0.10   0.13  -0.17
   100   1     0.06   0.03   0.06    -0.01  -0.05   0.01    -0.07   0.02  -0.13
   101   1     0.05  -0.02  -0.00     0.05   0.02  -0.02     0.05  -0.09   0.10
   102   1    -0.01   0.03  -0.02    -0.08   0.16  -0.03    -0.04  -0.11   0.14
   103   1    -0.04   0.04  -0.03    -0.06   0.07  -0.05    -0.18  -0.01   0.13
   104   1     0.01  -0.02  -0.01     0.06  -0.09  -0.04    -0.09  -0.00   0.09
   105   1     0.12   0.05   0.08     0.03   0.00  -0.05    -0.01  -0.02  -0.01
   106   1     0.25  -0.05   0.00    -0.11   0.02  -0.05    -0.01   0.01  -0.03
   107   1    -0.01  -0.10   0.10    -0.11  -0.01  -0.06    -0.00   0.02  -0.04
   108   1    -0.15   0.01   0.18     0.03  -0.04  -0.06    -0.00  -0.01  -0.02
   109   1     0.04   0.00   0.01    -0.00  -0.02  -0.00    -0.08   0.02  -0.01
   110   1    -0.04   0.03  -0.02     0.03  -0.05   0.03     0.05   0.01   0.00
   111   1     0.05  -0.02   0.02    -0.07   0.03  -0.04    -0.03   0.02   0.00
   112   1    -0.03  -0.02  -0.01     0.02   0.06   0.01     0.05  -0.01  -0.00
   113   1    -0.02   0.02  -0.01     0.06  -0.01   0.03    -0.01  -0.04  -0.02
   114   1     0.02   0.03  -0.00    -0.04  -0.09  -0.01    -0.00   0.03   0.01
   115   1     0.01  -0.03   0.02     0.02   0.08  -0.00    -0.03  -0.03  -0.03
   116   1    -0.00  -0.03  -0.01    -0.04  -0.02  -0.02     0.04   0.07   0.03
   117   1     0.01  -0.00  -0.00     0.03   0.01   0.00     0.03  -0.08  -0.00
   118   1     0.01   0.03  -0.01     0.03   0.07  -0.04    -0.02   0.06  -0.00
   119   1     0.01  -0.04   0.01     0.02  -0.11   0.03     0.00  -0.06   0.00
   120   1    -0.03   0.00   0.01    -0.09  -0.01   0.01    -0.03   0.04   0.01
   121   1    -0.01   0.03  -0.01    -0.04   0.08  -0.02     0.03   0.03   0.01
   122   1     0.04  -0.00  -0.01     0.14   0.00  -0.02     0.01  -0.01  -0.01
   123   1    -0.03  -0.01   0.01    -0.10  -0.03   0.03     0.01  -0.03   0.02
   124   1     0.00  -0.01   0.00     0.05  -0.03   0.00    -0.06  -0.01  -0.00
   125   1     0.10  -0.04  -0.02    -0.00   0.02  -0.01    -0.01   0.00   0.00
   126   1    -0.03  -0.03   0.06    -0.04   0.03  -0.03     0.01  -0.00   0.00
   127   1    -0.04  -0.02  -0.03     0.07  -0.01   0.01    -0.01   0.00  -0.00
   128   1    -0.04   0.05  -0.01    -0.02  -0.04   0.03     0.01   0.00  -0.01
   129   1     0.08   0.04  -0.02    -0.06  -0.00   0.00     0.01  -0.01   0.00
   130   1    -0.04  -0.10   0.04     0.03   0.06  -0.05    -0.00  -0.00   0.01
   131   1     0.05   0.08  -0.05    -0.01  -0.05   0.04    -0.01   0.00  -0.00
   132   1    -0.08  -0.09   0.04     0.03   0.02  -0.01     0.00   0.01  -0.00
   133   1     0.02  -0.01  -0.00     0.01  -0.00   0.00     0.01  -0.00  -0.00
   134   1    -0.00   0.01   0.01     0.00   0.01   0.00     0.00   0.00   0.00
   135   1    -0.01   0.01  -0.00    -0.01   0.01  -0.00    -0.01   0.01  -0.00
   136   1     0.01   0.00   0.01     0.01   0.00   0.01     0.01   0.00   0.01
   137   1     0.00   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.01
   138   1     0.01  -0.01  -0.00     0.00  -0.01  -0.01     0.00  -0.00  -0.00
   139   1     0.00  -0.02   0.01     0.00  -0.01   0.01     0.00  -0.01   0.00
   140   1     0.00  -0.01  -0.00     0.00  -0.01  -0.00     0.00  -0.01  -0.00
   141   1     0.00  -0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
   142   1     0.01  -0.01  -0.01     0.00  -0.01  -0.01     0.00  -0.01  -0.00
   143  17    -0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.00  -0.00   0.00
                    133                    134                    135
                      A                      A                      A
 Frequencies --    679.0187               700.5098               704.7901
 Red. masses --      6.5162                 5.3677                 6.6755
 Frc consts  --      1.7701                 1.5519                 1.9537
 IR Inten    --      3.3660                20.3654                11.2500
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.08    -0.01  -0.00  -0.09     0.03  -0.08   0.01
     2   6     0.17  -0.04   0.01     0.07  -0.00   0.05    -0.15  -0.07   0.01
     3   6     0.13  -0.05   0.06     0.04  -0.03  -0.11    -0.07  -0.00  -0.02
     4   6     0.07  -0.01  -0.00     0.02  -0.02   0.01    -0.03   0.11   0.00
     5   6    -0.04   0.04  -0.03    -0.05  -0.01  -0.07     0.23   0.06  -0.02
     6   6    -0.06   0.04   0.02    -0.03   0.02   0.05     0.11  -0.08   0.00
     7   6    -0.02  -0.03  -0.02    -0.07   0.01   0.09    -0.04  -0.06   0.00
     8   6     0.01   0.03  -0.02    -0.01   0.04  -0.02    -0.00  -0.07   0.01
     9   6    -0.02  -0.10  -0.04     0.09  -0.10  -0.13    -0.03   0.09  -0.04
    10   6    -0.10  -0.15  -0.02     0.03   0.05   0.23    -0.04   0.12   0.05
    11   6    -0.07  -0.02  -0.00    -0.02  -0.02  -0.03    -0.09   0.04  -0.02
    12   6    -0.02  -0.02  -0.08    -0.01  -0.03  -0.00    -0.00   0.04  -0.00
    13   6     0.09   0.10   0.07     0.00  -0.01  -0.02     0.03   0.04   0.02
    14   6     0.11   0.07   0.04    -0.05   0.06   0.03     0.10  -0.12   0.03
    15   7     0.03   0.02   0.04     0.09   0.01   0.04    -0.01   0.07  -0.07
    16   6    -0.01   0.07  -0.04     0.04   0.04   0.08     0.06  -0.02   0.02
    17   6    -0.07   0.05  -0.00    -0.07  -0.01  -0.05     0.05   0.01  -0.01
    18   7    -0.13  -0.06   0.07    -0.07  -0.00  -0.08    -0.01  -0.02  -0.02
    19   6     0.01   0.10  -0.06    -0.05  -0.07  -0.04     0.01  -0.15   0.06
    20   6     0.08  -0.05   0.01    -0.02  -0.00   0.09    -0.04  -0.02   0.03
    21   6     0.01  -0.06  -0.02    -0.06  -0.07  -0.12    -0.04   0.00  -0.02
    22   6    -0.01  -0.05   0.04    -0.05   0.01   0.08     0.02   0.10  -0.03
    23   6    -0.04   0.04   0.00     0.00  -0.00   0.00    -0.02   0.02  -0.01
    24   6    -0.11  -0.04  -0.04     0.01   0.01   0.01    -0.00  -0.00   0.00
    25   6     0.00  -0.01  -0.00     0.03   0.01  -0.02     0.01   0.00   0.00
    26   6     0.02  -0.05  -0.06     0.02   0.02   0.01    -0.02   0.00  -0.00
    27   6     0.04  -0.07  -0.05     0.02   0.02   0.02    -0.01  -0.01  -0.01
    28   6     0.11   0.05   0.03    -0.02  -0.01  -0.01     0.01   0.01  -0.00
    29   6    -0.09   0.05   0.05     0.01  -0.01  -0.00    -0.00  -0.00   0.00
    30   6    -0.10   0.06   0.03     0.01   0.00  -0.00    -0.01   0.01  -0.00
    31   6     0.00   0.06   0.02     0.00   0.00  -0.00    -0.06   0.04   0.01
    32   6    -0.00   0.06   0.03    -0.00   0.00   0.00    -0.03   0.07   0.01
    33   6     0.04  -0.03  -0.01    -0.00   0.00  -0.00     0.02  -0.03   0.02
    34   6    -0.01  -0.03  -0.01     0.01  -0.00   0.00    -0.05   0.02  -0.03
    35   6    -0.00  -0.01  -0.03     0.01  -0.00   0.00    -0.06   0.01  -0.00
    36   6    -0.02  -0.03   0.01     0.05  -0.02   0.01     0.02   0.01  -0.01
    37   6    -0.03   0.00   0.01     0.03  -0.02  -0.04     0.02  -0.01  -0.01
    38   6     0.00   0.00   0.02    -0.02  -0.02   0.05    -0.01  -0.01  -0.00
    39   6     0.02   0.03  -0.01     0.04   0.07  -0.03     0.02   0.02  -0.00
    40   6     0.04  -0.00  -0.01     0.06   0.04   0.01     0.01   0.02  -0.01
    41   7     0.04  -0.03   0.01    -0.01   0.01   0.00     0.07  -0.06   0.00
    42   7     0.10   0.05   0.05    -0.03  -0.01  -0.01     0.01   0.00   0.00
    43   7    -0.01   0.01   0.01    -0.07  -0.02   0.03    -0.03  -0.01   0.01
    44   6     0.02   0.10  -0.01    -0.01  -0.03   0.00     0.00   0.02  -0.00
    45   6     0.02   0.00   0.01    -0.01  -0.01  -0.01     0.01   0.00   0.00
    46   6     0.02   0.01   0.00    -0.02  -0.01  -0.01     0.01   0.01   0.00
    47   6     0.06  -0.06   0.04    -0.02   0.02  -0.01     0.01  -0.01   0.01
    48   6     0.04   0.01  -0.01    -0.01  -0.00   0.00     0.10   0.04  -0.04
    49   6     0.01  -0.01   0.00    -0.00   0.00  -0.00     0.05  -0.04   0.01
    50   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.04  -0.04  -0.01
    51   6    -0.01  -0.03   0.01     0.00   0.01  -0.00    -0.02  -0.10   0.04
    52   6     0.00   0.01  -0.00     0.00  -0.06   0.05    -0.00  -0.03   0.03
    53   6     0.01  -0.00  -0.00    -0.03  -0.02   0.01    -0.02  -0.01   0.01
    54   6    -0.01  -0.01   0.00    -0.04  -0.02   0.02    -0.02  -0.00   0.01
    55   6    -0.01   0.01  -0.00    -0.08   0.04  -0.03    -0.03   0.02  -0.02
    56   6     0.02   0.07  -0.00    -0.02  -0.03  -0.00     0.01   0.02   0.00
    57   6    -0.08   0.06  -0.05     0.03  -0.02   0.02    -0.02   0.01  -0.01
    58   6    -0.01  -0.07   0.01     0.01   0.03  -0.00    -0.00  -0.02   0.00
    59   6    -0.04  -0.13   0.01     0.02   0.05  -0.00    -0.01  -0.03   0.00
    60   6    -0.10   0.07  -0.06     0.04  -0.03   0.02    -0.02   0.01  -0.01
    61   6    -0.05   0.05  -0.03     0.02  -0.02   0.01    -0.01   0.01  -0.01
    62   6    -0.03  -0.11   0.01     0.01   0.04  -0.00    -0.01  -0.02   0.00
    63   6     0.06  -0.04   0.03    -0.03   0.01  -0.01     0.02  -0.00   0.01
    64   6     0.03   0.01  -0.01    -0.01   0.00   0.00     0.11  -0.02  -0.02
    65   6     0.00   0.04  -0.02    -0.00  -0.01   0.00     0.01   0.11  -0.04
    66   6    -0.03  -0.01   0.01     0.01   0.00  -0.00    -0.07  -0.02   0.03
    67   6    -0.05  -0.01   0.02     0.01   0.00  -0.00    -0.16  -0.03   0.05
    68   6     0.00   0.06  -0.02    -0.00  -0.01   0.00     0.00   0.16  -0.05
    69   6     0.01   0.03  -0.01    -0.00  -0.01   0.00     0.01   0.08  -0.03
    70   6    -0.05  -0.01   0.01     0.01   0.00  -0.00    -0.12  -0.03   0.04
    71   6     0.00  -0.03   0.01    -0.00   0.01  -0.00     0.05  -0.11   0.03
    72   6    -0.01  -0.01   0.01    -0.05  -0.06   0.06    -0.02  -0.03   0.02
    73   6     0.01  -0.01  -0.00     0.09  -0.04   0.03     0.04  -0.02   0.01
    74   6     0.00   0.01  -0.00     0.01   0.06  -0.05     0.00   0.02  -0.02
    75   6     0.00   0.01  -0.01     0.02   0.10  -0.09     0.01   0.04  -0.04
    76   6    -0.00  -0.00  -0.00     0.11  -0.04   0.03     0.05  -0.02   0.02
    77   6    -0.00   0.00   0.00     0.05  -0.02   0.02     0.03  -0.01   0.01
    78   6    -0.00  -0.01   0.00     0.01   0.06  -0.06     0.01   0.03  -0.03
    79   6     0.01   0.00  -0.00    -0.07   0.02  -0.00    -0.04   0.00   0.00
    80   8     0.01  -0.00   0.01     0.02  -0.00   0.00    -0.05   0.01   0.01
    81  15    -0.00   0.01  -0.00     0.00   0.01  -0.01    -0.01  -0.04   0.03
    82   8    -0.03   0.01  -0.01    -0.04   0.01  -0.01     0.06  -0.01   0.00
    83   8    -0.00   0.00   0.00    -0.00   0.01   0.01     0.03  -0.01  -0.05
    84   6     0.00  -0.01  -0.01     0.01  -0.02  -0.01    -0.01   0.03   0.03
    85   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.01
    86   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.01   0.01
    87   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.01
    88   1     0.21  -0.14   0.05     0.11  -0.03   0.33    -0.17  -0.01   0.04
    89   1    -0.07   0.13  -0.01    -0.06   0.04   0.07     0.25  -0.01   0.01
    90   1    -0.07   0.06   0.13     0.01   0.04   0.28    -0.02  -0.05   0.05
    91   1    -0.11  -0.01   0.11     0.03  -0.03  -0.21    -0.07   0.05  -0.07
    92   1     0.17   0.07   0.19     0.08  -0.01  -0.07    -0.06   0.06  -0.07
    93   1     0.11   0.09   0.07    -0.02   0.09  -0.02     0.11  -0.14  -0.06
    94   1    -0.07   0.13  -0.00    -0.11  -0.08  -0.08     0.02  -0.17   0.03
    95   1     0.05  -0.07   0.12     0.01   0.05   0.20     0.02   0.06  -0.01
    96   1     0.08  -0.04   0.06    -0.02   0.10   0.25     0.04   0.10  -0.03
    97   1     0.08   0.01   0.02     0.02   0.02   0.01    -0.02   0.00  -0.01
    98   1    -0.10  -0.08  -0.03     0.05   0.02   0.03    -0.02  -0.02  -0.00
    99   1    -0.17  -0.07  -0.02     0.03   0.00   0.02    -0.01  -0.02   0.00
   100   1    -0.01   0.05   0.03     0.01  -0.01   0.00    -0.02   0.01   0.00
   101   1     0.01   0.04   0.01    -0.00   0.02  -0.00    -0.05   0.05  -0.00
   102   1    -0.08   0.07   0.03     0.00   0.00  -0.00    -0.07   0.10  -0.04
   103   1    -0.04  -0.00   0.02     0.02  -0.01   0.00    -0.07   0.11  -0.05
   104   1     0.05  -0.04   0.01     0.03  -0.00   0.00    -0.07   0.02  -0.01
   105   1    -0.03  -0.02  -0.01     0.00  -0.01  -0.02     0.02   0.01  -0.01
   106   1    -0.04   0.01  -0.02     0.03   0.05  -0.13     0.04   0.01  -0.01
   107   1     0.01   0.03  -0.04     0.07   0.07  -0.14     0.05   0.01  -0.00
   108   1     0.02  -0.00  -0.02     0.03   0.05  -0.05     0.02   0.03  -0.01
   109   1     0.04   0.03   0.02    -0.04  -0.01  -0.02     0.02   0.00   0.01
   110   1    -0.07   0.08  -0.05     0.03  -0.02   0.02    -0.02   0.01  -0.01
   111   1     0.13  -0.05   0.07    -0.05   0.02  -0.03     0.03  -0.01   0.02
   112   1    -0.06  -0.09  -0.02     0.03   0.04   0.00    -0.02  -0.02  -0.00
   113   1    -0.10   0.02  -0.05     0.04  -0.01   0.02    -0.02   0.01  -0.01
   114   1     0.08   0.14   0.01    -0.03  -0.05  -0.00     0.02   0.03   0.00
   115   1    -0.02  -0.11   0.01     0.01   0.04  -0.00    -0.01  -0.02   0.00
   116   1     0.06   0.02   0.02    -0.03  -0.02  -0.01     0.02   0.01   0.00
   117   1     0.02  -0.01   0.00    -0.01   0.01  -0.00     0.08  -0.09   0.03
   118   1     0.01   0.04  -0.02     0.00  -0.01   0.00    -0.01   0.11  -0.03
   119   1     0.01  -0.06   0.02    -0.00   0.02  -0.00     0.04  -0.18   0.06
   120   1    -0.04   0.00   0.01     0.01  -0.00  -0.00    -0.14   0.01   0.03
   121   1    -0.02   0.04  -0.01     0.00  -0.01   0.00    -0.04   0.13  -0.04
   122   1     0.07  -0.00  -0.01    -0.01   0.00   0.00     0.19  -0.02  -0.05
   123   1    -0.05  -0.01   0.02     0.01   0.00  -0.00    -0.12  -0.01   0.02
   124   1     0.03  -0.02   0.00    -0.01   0.01   0.00     0.12  -0.07  -0.03
   125   1    -0.02   0.01   0.00    -0.11  -0.01   0.01    -0.05  -0.01   0.00
   126   1     0.01  -0.00  -0.00     0.10  -0.03   0.01     0.04  -0.01   0.01
   127   1    -0.01   0.01   0.00    -0.15   0.03  -0.02    -0.07   0.01  -0.01
   128   1     0.01  -0.00  -0.01     0.06   0.06  -0.07     0.02   0.03  -0.03
   129   1    -0.00  -0.01   0.00     0.10  -0.03   0.00     0.05  -0.01   0.00
   130   1     0.00   0.01   0.00    -0.06  -0.09   0.09    -0.03  -0.05   0.05
   131   1    -0.01  -0.01  -0.00     0.01   0.06  -0.06     0.01   0.03  -0.03
   132   1     0.01   0.02  -0.01    -0.06  -0.02   0.04    -0.04  -0.02   0.03
   133   1     0.01  -0.01  -0.01     0.02  -0.02  -0.01    -0.04   0.02   0.01
   134   1     0.01   0.00   0.00     0.01   0.01   0.00    -0.01  -0.02  -0.01
   135   1    -0.03   0.02  -0.01    -0.05   0.03  -0.03     0.07  -0.04   0.04
   136   1     0.01   0.00   0.02     0.02   0.00   0.04    -0.03  -0.01  -0.05
   137   1     0.01   0.01   0.02     0.01   0.01   0.03    -0.02  -0.02  -0.04
   138   1     0.00  -0.00  -0.00     0.00  -0.00  -0.01    -0.01   0.01   0.02
   139   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.02  -0.00
   140   1     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.01   0.04   0.00
   141   1     0.00  -0.00  -0.00    -0.00   0.01   0.01     0.01  -0.02  -0.05
   142   1     0.00  -0.00  -0.00     0.00  -0.01  -0.00    -0.01   0.05   0.02
   143  17     0.00  -0.00  -0.00     0.00  -0.00  -0.02     0.00  -0.00  -0.00
                    136                    137                    138
                      A                      A                      A
 Frequencies --    714.4967               726.0069               739.3883
 Red. masses --      5.7568                 6.2250                 3.3115
 Frc consts  --      1.7315                 1.9332                 1.0666
 IR Inten    --      8.1649                13.4408                28.1815
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.01     0.05  -0.04  -0.02    -0.02   0.00  -0.02
     2   6    -0.12   0.04   0.02     0.01  -0.05   0.01    -0.04   0.01   0.02
     3   6    -0.06   0.05  -0.13    -0.03  -0.07  -0.01    -0.01   0.01  -0.04
     4   6    -0.00   0.01   0.02    -0.05   0.03   0.01     0.01   0.02   0.05
     5   6     0.05  -0.02  -0.04    -0.01   0.04  -0.01     0.04   0.02  -0.02
     6   6     0.02  -0.05   0.03     0.02   0.08  -0.00     0.00  -0.02   0.03
     7   6    -0.05   0.02   0.10     0.04  -0.06   0.03     0.00  -0.02  -0.05
     8   6    -0.01  -0.06  -0.02     0.08   0.05   0.01    -0.01  -0.03   0.07
     9   6    -0.01  -0.03  -0.12     0.03  -0.01  -0.08     0.01  -0.01   0.01
    10   6     0.09   0.10   0.18    -0.05  -0.01   0.03     0.01  -0.01  -0.04
    11   6    -0.01   0.07  -0.02     0.07  -0.09   0.01    -0.05  -0.00   0.02
    12   6     0.03   0.04   0.04    -0.08  -0.05  -0.02    -0.00   0.00  -0.05
    13   6     0.04  -0.01  -0.01    -0.03   0.08  -0.01     0.01   0.02   0.04
    14   6     0.07  -0.11   0.05    -0.05   0.11   0.01     0.05  -0.02  -0.02
    15   7    -0.04   0.01   0.03    -0.01   0.04  -0.01     0.01  -0.02   0.00
    16   6    -0.04   0.05   0.13    -0.03   0.04   0.05    -0.00   0.00   0.01
    17   6     0.01  -0.10  -0.06     0.01  -0.06  -0.03    -0.01  -0.01  -0.01
    18   7     0.06  -0.04  -0.06    -0.02  -0.12   0.06     0.02   0.02   0.00
    19   6    -0.03   0.07  -0.10    -0.05   0.07  -0.05    -0.00   0.01  -0.00
    20   6     0.02   0.08   0.04    -0.01   0.04   0.02    -0.00   0.01   0.00
    21   6     0.04  -0.03  -0.13     0.07  -0.02  -0.06    -0.00   0.00  -0.00
    22   6     0.04  -0.05   0.09     0.05  -0.04   0.04    -0.00  -0.01   0.01
    23   6    -0.00   0.01  -0.01     0.03  -0.04   0.01     0.01   0.05  -0.06
    24   6     0.01   0.01   0.00    -0.06  -0.02  -0.03    -0.03   0.00  -0.02
    25   6     0.01   0.01  -0.03     0.05   0.02  -0.02    -0.00   0.00  -0.01
    26   6    -0.04  -0.01   0.00     0.07  -0.03  -0.03     0.01  -0.02  -0.00
    27   6    -0.03  -0.01  -0.02     0.06  -0.02  -0.02     0.02  -0.02  -0.02
    28   6    -0.00  -0.01   0.00     0.04   0.02   0.02     0.03  -0.00   0.02
    29   6    -0.02  -0.01  -0.01     0.01   0.05   0.04    -0.01   0.02   0.01
    30   6    -0.02  -0.02  -0.01    -0.00   0.06   0.05    -0.01   0.02   0.03
    31   6     0.00  -0.02   0.01    -0.04  -0.01  -0.03     0.01  -0.00   0.06
    32   6     0.02  -0.01  -0.01    -0.04  -0.01  -0.01     0.03   0.02  -0.02
    33   6    -0.00  -0.01   0.02    -0.02   0.03  -0.01    -0.01  -0.05   0.06
    34   6     0.01  -0.00  -0.01    -0.00   0.04   0.02    -0.01  -0.01  -0.04
    35   6    -0.01  -0.03   0.01     0.01   0.05   0.02    -0.03  -0.03   0.03
    36   6    -0.03  -0.04   0.04    -0.02  -0.06  -0.00     0.00   0.00   0.00
    37   6    -0.05  -0.01  -0.00    -0.03  -0.05   0.00    -0.00   0.00  -0.00
    38   6     0.01  -0.01   0.04    -0.04  -0.01   0.02     0.00  -0.00   0.01
    39   6    -0.03   0.00  -0.01    -0.03   0.03   0.02    -0.00  -0.00  -0.00
    40   6    -0.02   0.00   0.04    -0.03   0.05   0.02     0.00  -0.00   0.00
    41   7    -0.01   0.01  -0.00     0.01  -0.01   0.00    -0.01  -0.02  -0.06
    42   7     0.03   0.01   0.01    -0.02  -0.01  -0.01     0.02  -0.00  -0.03
    43   7     0.04   0.02  -0.01     0.02   0.01  -0.01     0.00  -0.00  -0.00
    44   6     0.01   0.06  -0.01     0.00  -0.08   0.02    -0.02  -0.00   0.07
    45   6     0.03   0.02   0.02    -0.05  -0.03  -0.03     0.01  -0.02  -0.07
    46   6     0.04   0.01   0.01    -0.06  -0.01  -0.02     0.01  -0.01  -0.06
    47   6     0.03  -0.04   0.02    -0.04   0.06  -0.03    -0.03   0.03   0.05
    48   6    -0.02  -0.01   0.01     0.04   0.03  -0.02     0.03   0.03   0.12
    49   6    -0.01   0.01  -0.00     0.04  -0.02   0.00    -0.04  -0.04  -0.11
    50   6    -0.01   0.01   0.00     0.03  -0.04  -0.00    -0.04  -0.02  -0.11
    51   6     0.01   0.02  -0.01    -0.02  -0.05   0.02     0.04   0.05   0.10
    52   6    -0.00   0.06  -0.05    -0.01   0.05  -0.04     0.00   0.00   0.01
    53   6     0.05   0.02  -0.02     0.05   0.03  -0.02    -0.00  -0.01  -0.01
    54   6     0.04   0.00  -0.02     0.05   0.00  -0.02    -0.00  -0.01  -0.00
    55   6     0.05  -0.03   0.03     0.04  -0.03   0.04    -0.00   0.01   0.00
    56   6     0.05   0.05   0.01    -0.10  -0.07  -0.03    -0.06  -0.01   0.03
    57   6    -0.04   0.04  -0.03     0.05  -0.05   0.04     0.02  -0.01  -0.02
    58   6    -0.01  -0.04   0.00     0.02   0.05  -0.00    -0.01   0.02   0.05
    59   6    -0.03  -0.09   0.00     0.06   0.14   0.01     0.03   0.04  -0.01
    60   6    -0.07   0.05  -0.04     0.12  -0.06   0.06     0.05  -0.02   0.00
    61   6    -0.03   0.03  -0.02     0.04  -0.02   0.02    -0.01   0.01   0.05
    62   6    -0.02  -0.06   0.01     0.02   0.07  -0.01     0.01   0.00  -0.03
    63   6     0.07  -0.00   0.03    -0.12  -0.02  -0.05    -0.06  -0.01   0.03
    64   6    -0.03   0.01   0.00     0.08  -0.05  -0.01    -0.02   0.05   0.08
    65   6    -0.00  -0.03   0.01     0.01   0.05  -0.02    -0.01  -0.03  -0.04
    66   6     0.02   0.00  -0.01    -0.04  -0.01   0.01     0.03   0.03   0.08
    67   6     0.04   0.01  -0.01    -0.10  -0.01   0.03     0.03  -0.01  -0.03
    68   6     0.00  -0.04   0.01    -0.01   0.10  -0.03     0.00  -0.04  -0.02
    69   6    -0.00  -0.02   0.01    -0.00   0.03  -0.01     0.03   0.03   0.08
    70   6     0.02   0.01  -0.01    -0.05  -0.01   0.02    -0.01  -0.01  -0.05
    71   6    -0.01   0.02  -0.00     0.05  -0.07   0.01    -0.00   0.04   0.08
    72   6     0.05   0.05  -0.04     0.08   0.05  -0.05    -0.00   0.00   0.01
    73   6    -0.06   0.03  -0.03    -0.05   0.02  -0.03     0.00  -0.00  -0.00
    74   6    -0.00  -0.03   0.04    -0.01  -0.03   0.03     0.00   0.00   0.00
    75   6    -0.03  -0.08   0.07    -0.03  -0.09   0.08     0.00   0.00  -0.00
    76   6    -0.11   0.04  -0.03    -0.12   0.04  -0.02     0.00  -0.00  -0.00
    77   6    -0.05   0.02  -0.02    -0.04   0.02  -0.01     0.00   0.00   0.00
    78   6    -0.01  -0.06   0.06    -0.00  -0.04   0.05    -0.00  -0.00  -0.00
    79   6     0.10   0.01  -0.01     0.10   0.02  -0.02    -0.00   0.00   0.00
    80   8     0.01   0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.00
    81  15     0.00   0.02  -0.01     0.00  -0.00   0.00     0.01   0.00  -0.00
    82   8    -0.01  -0.01   0.00     0.00  -0.01  -0.00    -0.02   0.01  -0.00
    83   8     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.01   0.00   0.01
    84   6    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00  -0.01  -0.01
    85   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    86   6    -0.00  -0.01   0.01    -0.00  -0.01   0.01    -0.00   0.01  -0.01
    87   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    88   1    -0.11   0.09   0.24    -0.01   0.01   0.06    -0.04  -0.00   0.02
    89   1     0.05  -0.01   0.05     0.02  -0.04   0.00     0.03   0.03  -0.12
    90   1     0.04  -0.04   0.12    -0.03   0.10   0.04    -0.02  -0.02  -0.04
    91   1     0.06   0.07  -0.22     0.14  -0.00  -0.01    -0.06   0.00   0.08
    92   1    -0.02   0.03  -0.18     0.11   0.06   0.03    -0.01   0.02   0.05
    93   1     0.11  -0.09  -0.06    -0.10   0.06   0.01     0.06  -0.02  -0.08
    94   1    -0.01   0.04  -0.18    -0.04   0.06  -0.08    -0.01  -0.00  -0.03
    95   1    -0.02   0.05   0.16    -0.08  -0.02   0.11    -0.01  -0.00  -0.01
    96   1    -0.00   0.03   0.26     0.03   0.01   0.12    -0.01   0.00   0.02
    97   1    -0.06  -0.02  -0.02     0.12   0.02   0.03     0.04   0.01   0.02
    98   1    -0.04   0.00  -0.03     0.01  -0.02  -0.01    -0.01   0.02  -0.05
    99   1    -0.03  -0.01  -0.03    -0.02   0.03   0.00    -0.03   0.03  -0.04
   100   1    -0.05  -0.01  -0.02     0.10   0.06   0.05     0.02   0.03   0.03
   101   1     0.01  -0.03  -0.00    -0.07   0.05  -0.01     0.02  -0.03   0.06
   102   1     0.04   0.00  -0.03    -0.03  -0.03   0.02     0.04   0.07  -0.13
   103   1     0.02   0.02  -0.04     0.00   0.00   0.03     0.03   0.06  -0.14
   104   1     0.01  -0.02  -0.01    -0.05   0.07   0.00     0.00  -0.04   0.04
   105   1    -0.09  -0.02   0.02    -0.10  -0.04   0.03     0.01   0.00   0.01
   106   1    -0.10  -0.01  -0.07    -0.01  -0.03  -0.00    -0.01   0.00  -0.01
   107   1    -0.08   0.02  -0.08     0.00   0.03  -0.01    -0.01   0.00  -0.01
   108   1    -0.05  -0.01   0.01    -0.08  -0.00   0.04     0.00  -0.00   0.00
   109   1     0.08   0.01   0.05    -0.14  -0.01  -0.09    -0.04  -0.01  -0.04
   110   1    -0.06   0.02  -0.02     0.09   0.01   0.01     0.09  -0.01  -0.15
   111   1     0.09  -0.03   0.06    -0.12   0.02  -0.09     0.01  -0.02  -0.12
   112   1    -0.05  -0.07  -0.00     0.08   0.12  -0.01     0.11   0.00  -0.19
   113   1    -0.07   0.02  -0.04     0.11  -0.05   0.07     0.12  -0.06  -0.15
   114   1     0.06   0.09   0.00    -0.10  -0.11   0.01     0.01  -0.04  -0.08
   115   1    -0.03  -0.05  -0.01     0.06   0.05   0.04     0.08  -0.03  -0.11
   116   1     0.07   0.06   0.01    -0.13  -0.10  -0.01    -0.04  -0.03   0.00
   117   1    -0.02   0.03  -0.01     0.06  -0.09   0.04    -0.03   0.04  -0.03
   118   1     0.01  -0.03   0.00    -0.03   0.05   0.01    -0.05  -0.10  -0.27
   119   1    -0.01   0.04  -0.02     0.04  -0.09   0.04    -0.06  -0.02  -0.18
   120   1     0.03  -0.01  -0.01    -0.10   0.01   0.04    -0.06  -0.12  -0.35
   121   1     0.01  -0.03   0.01    -0.02   0.10  -0.03    -0.09  -0.16  -0.32
   122   1    -0.04   0.01   0.01     0.10  -0.02  -0.03    -0.06  -0.04  -0.15
   123   1     0.02  -0.00  -0.00    -0.05   0.02  -0.01    -0.06  -0.10  -0.24
   124   1    -0.03   0.02   0.01     0.10  -0.05  -0.03    -0.02   0.02   0.01
   125   1     0.09   0.03  -0.00     0.13   0.03   0.00    -0.01  -0.00  -0.00
   126   1    -0.07   0.01  -0.01    -0.06  -0.00   0.02     0.00  -0.01  -0.02
   127   1     0.12  -0.01   0.01     0.12   0.00   0.02    -0.00  -0.01  -0.01
   128   1    -0.04  -0.08   0.06    -0.04  -0.08   0.08     0.00  -0.01  -0.02
   129   1    -0.11  -0.00  -0.02    -0.12   0.01  -0.03     0.00  -0.02  -0.02
   130   1     0.06   0.08  -0.09     0.06   0.06  -0.09    -0.00  -0.01  -0.01
   131   1    -0.04  -0.06   0.04    -0.06  -0.05   0.02     0.00  -0.01  -0.01
   132   1     0.08   0.06  -0.07     0.09   0.05  -0.09    -0.00  -0.00   0.00
   133   1     0.00  -0.00  -0.00    -0.01   0.00  -0.00     0.02  -0.01  -0.00
   134   1    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00   0.01   0.00
   135   1     0.00  -0.00   0.00     0.01  -0.01   0.01    -0.03   0.02  -0.02
   136   1     0.00  -0.00   0.00    -0.00  -0.00  -0.01     0.01   0.00   0.02
   137   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.01
   138   1     0.00  -0.01   0.01    -0.00  -0.00   0.01     0.00   0.00  -0.01
   139   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
   140   1    -0.00   0.02   0.00    -0.00   0.01   0.00     0.00  -0.01   0.00
   141   1     0.01  -0.02  -0.03     0.01  -0.01  -0.02    -0.00   0.01   0.02
   142   1     0.00   0.01  -0.00    -0.00   0.01   0.00     0.00  -0.01  -0.00
   143  17     0.01  -0.00  -0.01     0.00  -0.00  -0.01    -0.00  -0.00   0.00
                    139                    140                    141
                      A                      A                      A
 Frequencies --    739.8409               739.8424               740.5486
 Red. masses --      2.8831                 2.8652                 4.2898
 Frc consts  --      0.9298                 0.9240                 1.3861
 IR Inten    --      3.2789                14.9267                 8.7088
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.01     0.00   0.00  -0.00     0.03  -0.00   0.02
     2   6     0.01  -0.00   0.00     0.01  -0.00  -0.00     0.07  -0.01  -0.02
     3   6     0.00  -0.01   0.00     0.00  -0.00   0.01     0.01  -0.03   0.03
     4   6    -0.00  -0.01   0.00    -0.00  -0.00  -0.00    -0.03  -0.04  -0.05
     5   6    -0.01  -0.01  -0.00    -0.01  -0.00   0.00    -0.09  -0.04   0.02
     6   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.01   0.04  -0.03
     7   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.01   0.03   0.05
     8   6    -0.00   0.01  -0.01    -0.00   0.00   0.00     0.00   0.05  -0.08
     9   6    -0.00   0.00  -0.01    -0.01   0.01   0.00    -0.02   0.02  -0.02
    10   6    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.01   0.02   0.05
    11   6     0.01  -0.00   0.00     0.01  -0.00   0.00     0.08  -0.00  -0.01
    12   6     0.00  -0.00   0.01     0.00  -0.00   0.00     0.01  -0.01   0.07
    13   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.02  -0.04  -0.05
    14   6    -0.01   0.01   0.00    -0.01   0.00  -0.00    -0.09   0.05   0.01
    15   7    -0.00   0.01  -0.00    -0.00   0.00  -0.01    -0.02   0.03  -0.01
    16   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.01
    17   6     0.00   0.00   0.00     0.00  -0.00  -0.01     0.01   0.01   0.01
    18   7    -0.00  -0.00  -0.00     0.00  -0.00   0.01    -0.02  -0.03  -0.00
    19   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    20   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01  -0.00
    21   6    -0.00  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    22   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.01  -0.01
    23   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.07   0.08
    24   6     0.01   0.01  -0.01     0.00   0.01  -0.00     0.05   0.03   0.01
    25   6     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
    26   6    -0.02   0.00   0.01    -0.01  -0.00   0.00    -0.04   0.03   0.03
    27   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.04   0.03   0.02
    28   6    -0.01  -0.01  -0.00    -0.00  -0.00   0.00    -0.05  -0.02  -0.01
    29   6     0.01  -0.01   0.00     0.00  -0.00  -0.00     0.03  -0.04  -0.03
    30   6     0.01  -0.00   0.00     0.00  -0.00   0.00     0.03  -0.05  -0.03
    31   6    -0.01  -0.00  -0.01    -0.00   0.00  -0.00    -0.01  -0.01  -0.08
    32   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00    -0.04  -0.05   0.03
    33   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.01   0.07  -0.10
    34   6     0.01   0.00   0.00     0.00   0.00  -0.00    -0.00   0.02   0.08
    35   6     0.01   0.00  -0.00     0.00  -0.00  -0.00     0.04   0.07  -0.03
    36   6    -0.00  -0.00   0.00     0.01   0.01  -0.00    -0.00  -0.00  -0.01
    37   6    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.00  -0.00   0.00
    38   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00  -0.01
    39   6     0.00   0.00  -0.00    -0.00  -0.01   0.01     0.00   0.00   0.01
    40   6     0.00   0.00  -0.00    -0.01   0.00   0.01    -0.00   0.01  -0.00
    41   7     0.00   0.01   0.03     0.00   0.00   0.02    -0.02  -0.00  -0.05
    42   7     0.02  -0.01  -0.06     0.01  -0.00  -0.02    -0.00  -0.01  -0.02
    43   7     0.00   0.02   0.02    -0.01  -0.04  -0.05    -0.00  -0.00  -0.00
    44   6    -0.06   0.03   0.12    -0.02   0.01   0.05    -0.02   0.03   0.00
    45   6     0.05  -0.02  -0.12     0.02  -0.01  -0.05     0.03   0.02  -0.01
    46   6     0.06  -0.02  -0.11     0.02  -0.01  -0.04     0.05  -0.00  -0.01
    47   6    -0.05   0.02   0.12    -0.02   0.01   0.05    -0.01  -0.03   0.04
    48   6    -0.01  -0.02  -0.06    -0.01  -0.01  -0.03     0.02   0.06   0.09
    49   6     0.02   0.01   0.05     0.01   0.01   0.03    -0.01  -0.02  -0.10
    50   6     0.01   0.01   0.05     0.01   0.01   0.03     0.01  -0.07  -0.10
    51   6    -0.02  -0.02  -0.05    -0.01  -0.01  -0.03     0.01   0.00   0.12
    52   6    -0.00  -0.04  -0.05     0.00   0.10   0.11    -0.00   0.01   0.01
    53   6     0.01   0.04   0.04    -0.01  -0.09  -0.10    -0.00  -0.00  -0.01
    54   6     0.00   0.04   0.05    -0.00  -0.09  -0.11     0.00  -0.00  -0.01
    55   6    -0.00  -0.04  -0.04     0.01   0.10   0.11     0.00   0.00   0.01
    56   6    -0.02   0.02   0.09    -0.01   0.01   0.03     0.06   0.03   0.04
    57   6     0.02  -0.01  -0.05     0.01  -0.00  -0.02    -0.00   0.01  -0.02
    58   6    -0.04   0.01   0.09    -0.02   0.01   0.03    -0.02  -0.01   0.02
    59   6     0.01  -0.02  -0.03     0.00  -0.01  -0.01    -0.04  -0.08  -0.02
    60   6     0.00  -0.00  -0.03     0.00  -0.00  -0.01    -0.07   0.03  -0.04
    61   6    -0.04   0.02   0.09    -0.02   0.01   0.03    -0.02   0.00   0.01
    62   6     0.02  -0.01  -0.05     0.01  -0.00  -0.02     0.00  -0.02   0.00
    63   6    -0.03   0.02   0.08    -0.01   0.01   0.03     0.06   0.03   0.04
    64   6    -0.00  -0.02  -0.04    -0.00  -0.01  -0.02     0.09  -0.04   0.07
    65   6     0.01   0.01   0.02     0.00   0.00   0.01    -0.01   0.01  -0.06
    66   6    -0.01  -0.01  -0.04    -0.01  -0.01  -0.02    -0.01   0.02   0.08
    67   6    -0.01   0.00   0.01     0.00   0.00   0.01    -0.09  -0.01  -0.01
    68   6     0.00   0.01   0.01     0.00   0.00   0.01    -0.02   0.05  -0.03
    69   6    -0.01  -0.01  -0.04    -0.01  -0.01  -0.02     0.01   0.02   0.08
    70   6     0.00   0.01   0.02     0.00   0.00   0.01    -0.01  -0.02  -0.03
    71   6    -0.00  -0.02  -0.04    -0.00  -0.01  -0.02     0.05  -0.00   0.07
    72   6    -0.00  -0.03  -0.03     0.01   0.07   0.07     0.01   0.01   0.00
    73   6     0.00   0.02   0.02    -0.01  -0.04  -0.04    -0.00  -0.00  -0.00
    74   6    -0.00  -0.03  -0.04     0.01   0.07   0.08    -0.00   0.00   0.01
    75   6    -0.00   0.01   0.01    -0.00  -0.02  -0.02    -0.00  -0.01   0.00
    76   6    -0.00   0.01   0.01     0.00  -0.02  -0.02    -0.01  -0.00  -0.00
    77   6    -0.00  -0.03  -0.03     0.01   0.07   0.08     0.00   0.00   0.01
    78   6     0.00   0.02   0.02    -0.00  -0.04  -0.05     0.00  -0.00  -0.00
    79   6     0.00  -0.03  -0.03    -0.00   0.06   0.08     0.00   0.01   0.00
    80   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.00   0.01
    81  15    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    82   8     0.01  -0.00   0.00     0.01  -0.00   0.00     0.04  -0.01   0.00
    83   8     0.00  -0.00  -0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.02
    84   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.02   0.02
    85   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.01
    86   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.01
    87   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    88   1     0.01   0.00   0.01     0.01  -0.00  -0.01     0.07   0.01  -0.03
    89   1    -0.01  -0.01   0.01    -0.01  -0.01   0.00    -0.08  -0.06   0.13
    90   1     0.01   0.01   0.02     0.00   0.00   0.00     0.04   0.04   0.03
    91   1     0.02  -0.00  -0.02     0.01  -0.00   0.01     0.10  -0.01  -0.10
    92   1     0.01  -0.00  -0.04     0.00  -0.00  -0.01     0.02  -0.03  -0.10
    93   1    -0.00   0.02  -0.01    -0.00   0.01  -0.01    -0.08   0.07   0.06
    94   1     0.01  -0.00   0.01    -0.00  -0.01  -0.02     0.01  -0.00   0.03
    95   1     0.01   0.01   0.01     0.00  -0.01  -0.02     0.01   0.00   0.00
    96   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.00  -0.03
    97   1    -0.02   0.00  -0.01    -0.01  -0.00  -0.00    -0.08  -0.03  -0.01
    98   1    -0.00   0.03  -0.03    -0.00   0.01  -0.02     0.02   0.04   0.02
    99   1     0.02   0.03  -0.03     0.01   0.01  -0.01     0.06   0.01  -0.00
   100   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.03  -0.05  -0.03
   101   1    -0.01   0.01  -0.01    -0.00   0.00  -0.00    -0.01   0.06  -0.11
   102   1    -0.01  -0.01   0.02    -0.01  -0.00   0.01    -0.02  -0.10   0.12
   103   1    -0.00  -0.01   0.02    -0.00  -0.01   0.01    -0.02  -0.06   0.14
   104   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.10  -0.08
   105   1    -0.00  -0.01   0.01     0.00   0.01  -0.01    -0.01  -0.00  -0.01
   106   1     0.00  -0.00   0.02    -0.01   0.01  -0.04     0.01  -0.00   0.01
   107   1     0.01  -0.00   0.01    -0.02   0.00  -0.03     0.01   0.00   0.01
   108   1     0.01  -0.00   0.00    -0.01   0.00  -0.01    -0.01   0.00  -0.01
   109   1     0.02  -0.00   0.01     0.01  -0.00   0.00     0.08   0.01   0.07
   110   1     0.11  -0.06  -0.27     0.04  -0.02  -0.11    -0.02  -0.05  -0.04
   111   1     0.09  -0.04  -0.16     0.03  -0.01  -0.06     0.06  -0.00   0.02
   112   1     0.16  -0.09  -0.36     0.06  -0.03  -0.14    -0.01  -0.10  -0.06
   113   1     0.16  -0.07  -0.36     0.06  -0.03  -0.14    -0.03   0.02  -0.13
   114   1     0.09  -0.03  -0.18     0.03  -0.01  -0.07     0.08   0.03  -0.05
   115   1     0.12  -0.05  -0.28     0.05  -0.02  -0.11    -0.01  -0.01  -0.11
   116   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.09   0.06  -0.01
   117   1     0.01  -0.00   0.01     0.00   0.00   0.00     0.06  -0.11   0.04
   118   1     0.03   0.04   0.13     0.02   0.02   0.07    -0.11  -0.04  -0.20
   119   1     0.03   0.02   0.08     0.01   0.02   0.05    -0.01  -0.11  -0.10
   120   1     0.04   0.05   0.16     0.03   0.03   0.09    -0.16  -0.10  -0.26
   121   1     0.04   0.07   0.15     0.02   0.04   0.09    -0.08  -0.04  -0.33
   122   1     0.03   0.02   0.07     0.01   0.02   0.04    -0.01  -0.09  -0.17
   123   1     0.03   0.05   0.12     0.02   0.03   0.07    -0.07  -0.05  -0.26
   124   1     0.01  -0.00  -0.00     0.00  -0.00   0.00     0.03  -0.04  -0.03
   125   1    -0.00   0.01   0.00     0.01  -0.01  -0.01     0.01   0.00   0.00
   126   1     0.01   0.10   0.11    -0.02  -0.23  -0.25    -0.00  -0.01  -0.01
   127   1     0.00   0.06   0.07    -0.01  -0.15  -0.16     0.01  -0.01  -0.01
   128   1     0.01   0.13   0.14    -0.02  -0.30  -0.32    -0.00  -0.02  -0.01
   129   1     0.00   0.13   0.13    -0.01  -0.30  -0.32    -0.01  -0.01  -0.02
   130   1     0.00   0.06   0.06    -0.01  -0.14  -0.15     0.00  -0.01  -0.01
   131   1     0.00   0.09   0.10    -0.01  -0.22  -0.25    -0.00  -0.01  -0.02
   132   1     0.00   0.01  -0.00    -0.01  -0.02   0.00     0.00  -0.00  -0.00
   133   1    -0.01   0.00   0.00    -0.01   0.00   0.00    -0.03   0.02   0.01
   134   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
   135   1     0.01  -0.01   0.01     0.01  -0.01   0.01     0.06  -0.03   0.03
   136   1    -0.01  -0.00  -0.01    -0.00  -0.00  -0.01    -0.02  -0.01  -0.04
   137   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.01  -0.02  -0.03
   138   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.02
   139   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
   140   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.01   0.02  -0.00
   141   1     0.00  -0.01  -0.01     0.00  -0.00  -0.01     0.01  -0.02  -0.04
   142   1    -0.00   0.01   0.00    -0.00   0.01   0.00    -0.00   0.03   0.01
   143  17     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
                    142                    143                    144
                      A                      A                      A
 Frequencies --    743.7567               744.8123               747.8439
 Red. masses --      4.8960                 5.2348                 4.5282
 Frc consts  --      1.5957                 1.7110                 1.4921
 IR Inten    --      6.4706                16.4665                 2.2754
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.05    -0.02   0.02   0.05    -0.01  -0.00  -0.03
     2   6     0.08  -0.01   0.03     0.02   0.00  -0.04     0.03  -0.01   0.02
     3   6     0.03  -0.04  -0.02     0.02   0.01   0.06     0.02  -0.01  -0.06
     4   6    -0.02  -0.02   0.06     0.01  -0.01  -0.08     0.01   0.01   0.05
     5   6    -0.07  -0.06  -0.01     0.06  -0.02   0.03     0.01  -0.01  -0.03
     6   6    -0.01   0.00   0.03     0.02  -0.05  -0.04     0.01  -0.02   0.02
     7   6     0.07  -0.00  -0.09     0.00  -0.01   0.08    -0.02  -0.00   0.04
     8   6    -0.03   0.02   0.07     0.04  -0.00  -0.08     0.00   0.00  -0.02
     9   6    -0.06   0.08  -0.03    -0.05   0.07  -0.03     0.01  -0.00  -0.07
    10   6    -0.04   0.01  -0.04    -0.04   0.04   0.05    -0.01   0.04   0.08
    11   6     0.06  -0.03   0.06     0.04   0.01  -0.03    -0.01   0.00  -0.01
    12   6     0.01   0.00  -0.01    -0.03  -0.00   0.04    -0.01  -0.01   0.02
    13   6    -0.03  -0.03   0.04     0.02   0.03  -0.04     0.01  -0.00   0.00
    14   6    -0.04   0.04  -0.03     0.01  -0.03   0.05     0.00  -0.01   0.03
    15   7    -0.06   0.08  -0.06    -0.05   0.08  -0.06     0.01   0.04   0.03
    16   6     0.03   0.04   0.07     0.01   0.02   0.01    -0.02  -0.07  -0.12
    17   6    -0.01  -0.04  -0.09    -0.00  -0.01  -0.02     0.01   0.08   0.18
    18   7    -0.01  -0.02   0.05    -0.03  -0.06   0.02    -0.05  -0.02  -0.08
    19   6     0.03  -0.04  -0.01     0.02  -0.01  -0.01     0.01  -0.02   0.03
    20   6     0.04  -0.00   0.03     0.04  -0.01   0.01    -0.02  -0.02  -0.06
    21   6    -0.01  -0.01  -0.02    -0.00  -0.01   0.00     0.01   0.01   0.01
    22   6     0.01   0.02   0.01     0.01   0.01   0.00    -0.03  -0.01  -0.03
    23   6     0.01   0.03  -0.04    -0.10   0.00   0.09    -0.02   0.02   0.00
    24   6     0.01   0.13  -0.14    -0.04  -0.07   0.05    -0.01   0.06  -0.07
    25   6    -0.03   0.01  -0.05    -0.02   0.00  -0.03     0.11  -0.03   0.18
    26   6    -0.02  -0.06   0.09     0.03  -0.01  -0.07    -0.00  -0.03   0.04
    27   6     0.00   0.06  -0.08     0.02  -0.06   0.01     0.01   0.02  -0.05
    28   6    -0.01  -0.14   0.15     0.04   0.08  -0.05     0.01  -0.06   0.07
    29   6     0.02   0.05  -0.09    -0.03   0.01   0.07     0.00   0.03  -0.04
    30   6     0.00  -0.07   0.09    -0.02   0.06  -0.01    -0.01  -0.02   0.05
    31   6     0.00   0.00   0.04     0.06   0.07  -0.02     0.02   0.02   0.02
    32   6     0.01   0.02  -0.02     0.03   0.03   0.10     0.01   0.02   0.02
    33   6    -0.01  -0.03   0.05     0.10   0.00  -0.10     0.02  -0.02  -0.00
    34   6     0.00  -0.00  -0.03    -0.07  -0.07   0.01    -0.02  -0.02  -0.02
    35   6    -0.01  -0.02   0.02    -0.03  -0.04  -0.11    -0.02  -0.02  -0.02
    36   6     0.01   0.01   0.04     0.01   0.01   0.02    -0.04  -0.03  -0.11
    37   6    -0.02   0.01  -0.03    -0.01   0.01  -0.01     0.05  -0.04   0.09
    38   6     0.03  -0.01   0.05     0.02  -0.00   0.03    -0.11   0.03  -0.18
    39   6    -0.01  -0.01  -0.03    -0.00  -0.01  -0.02     0.04   0.03   0.11
    40   6     0.01  -0.02   0.03     0.01  -0.01   0.01    -0.04   0.04  -0.09
    41   7     0.00  -0.00   0.00     0.02  -0.01  -0.00     0.01  -0.01   0.00
    42   7    -0.00  -0.01   0.00     0.01   0.01   0.00     0.01  -0.00  -0.00
    43   7     0.00   0.00   0.00     0.00   0.00  -0.00    -0.01   0.01   0.01
    44   6     0.02   0.02  -0.02     0.00  -0.03   0.03     0.01   0.01   0.00
    45   6     0.03   0.01   0.04    -0.03  -0.02  -0.03     0.01  -0.00   0.01
    46   6    -0.03  -0.02   0.02    -0.01   0.01  -0.01    -0.02  -0.01  -0.00
    47   6    -0.01  -0.00  -0.03     0.01   0.03   0.00    -0.01   0.01  -0.01
    48   6     0.00  -0.01  -0.01    -0.02  -0.03   0.05    -0.00  -0.01   0.01
    49   6    -0.00  -0.00   0.01    -0.06   0.02  -0.02    -0.02   0.00  -0.00
    50   6    -0.01   0.01   0.01    -0.00   0.04  -0.01    -0.00   0.02   0.00
    51   6     0.00   0.01  -0.02     0.05   0.01  -0.01     0.01   0.00  -0.01
    52   6     0.01  -0.00  -0.01     0.01  -0.00  -0.00    -0.03  -0.01   0.01
    53   6     0.01   0.00   0.01     0.00  -0.00   0.00    -0.02   0.01  -0.01
    54   6    -0.01  -0.00   0.01    -0.01  -0.00   0.01     0.04   0.01  -0.03
    55   6    -0.01  -0.00  -0.01    -0.01   0.00  -0.01     0.02  -0.01   0.03
    56   6    -0.01  -0.02  -0.02    -0.05  -0.01  -0.01    -0.02  -0.01  -0.01
    57   6     0.02  -0.00   0.02    -0.01  -0.01  -0.00     0.01  -0.00   0.01
    58   6     0.01   0.02  -0.02     0.00  -0.01   0.01     0.00   0.01  -0.00
    59   6    -0.01   0.01   0.00     0.04   0.05   0.01     0.00   0.02   0.00
    60   6    -0.02   0.02  -0.00     0.07  -0.03   0.02     0.00   0.00   0.00
    61   6    -0.01   0.01  -0.03     0.01  -0.00   0.01    -0.01   0.01  -0.01
    62   6    -0.02  -0.02   0.01     0.01   0.01  -0.01    -0.01  -0.01  -0.00
    63   6     0.05   0.01   0.01    -0.08  -0.03  -0.02     0.01  -0.00   0.00
    64   6    -0.02   0.02  -0.01    -0.06   0.07   0.00    -0.03   0.03  -0.00
    65   6     0.00  -0.01   0.01    -0.02   0.01   0.01    -0.00   0.00   0.01
    66   6     0.01  -0.00  -0.01    -0.00  -0.02   0.02     0.00  -0.01   0.00
    67   6     0.02   0.00  -0.00     0.11  -0.01  -0.02     0.04  -0.00  -0.00
    68   6     0.01  -0.01   0.00     0.02  -0.12   0.02     0.01  -0.04   0.01
    69   6     0.00   0.00  -0.01     0.01  -0.02   0.01     0.01  -0.00  -0.00
    70   6    -0.00   0.00   0.00     0.01   0.01  -0.03    -0.00   0.00  -0.01
    71   6    -0.01  -0.00  -0.01    -0.11   0.09   0.00    -0.04   0.02  -0.00
    72   6    -0.02  -0.01   0.01    -0.02  -0.01   0.01     0.07   0.03  -0.03
    73   6     0.01   0.00   0.01     0.00  -0.00   0.00    -0.02  -0.00  -0.01
    74   6     0.00   0.00  -0.01     0.00   0.00  -0.00    -0.01  -0.02   0.02
    75   6     0.01   0.02  -0.01     0.01   0.01  -0.01    -0.02  -0.05   0.03
    76   6     0.01   0.00   0.00     0.01  -0.00   0.00    -0.03  -0.00   0.00
    77   6    -0.01   0.00  -0.01    -0.00   0.00  -0.00     0.02  -0.02   0.02
    78   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.01  -0.01
    79   6    -0.00  -0.01  -0.00    -0.01  -0.01   0.00     0.00   0.01  -0.01
    80   8    -0.07  -0.00   0.02    -0.07  -0.00   0.02    -0.01  -0.00   0.00
    81  15    -0.04   0.01  -0.00    -0.04   0.00   0.00    -0.01   0.01  -0.00
    82   8     0.13  -0.04   0.01     0.13  -0.04   0.01     0.03  -0.01   0.00
    83   8     0.05  -0.02  -0.08     0.05  -0.02  -0.09     0.01  -0.00  -0.02
    84   6    -0.03   0.07   0.06    -0.02   0.06   0.06    -0.00   0.01   0.01
    85   6     0.00   0.01   0.03     0.00   0.01   0.02     0.00   0.00   0.01
    86   6     0.00  -0.05   0.04     0.00  -0.05   0.04    -0.00  -0.02   0.01
    87   6     0.00  -0.02   0.00     0.00  -0.02   0.01     0.00  -0.01   0.00
    88   1     0.08  -0.02   0.03     0.03  -0.03  -0.06     0.05  -0.03   0.14
    89   1    -0.07  -0.10  -0.10     0.06  -0.01   0.18     0.01  -0.01  -0.02
    90   1     0.06  -0.02   0.01     0.07  -0.05   0.03     0.02  -0.01   0.09
    91   1     0.06  -0.01   0.10     0.09   0.04  -0.08     0.05   0.00  -0.16
    92   1     0.06  -0.01  -0.10     0.01   0.03  -0.04     0.06   0.01  -0.14
    93   1     0.04   0.10  -0.18    -0.03  -0.07   0.10     0.05   0.02  -0.06
    94   1    -0.01  -0.09  -0.12    -0.00  -0.02  -0.04     0.11   0.10   0.30
    95   1     0.05  -0.01  -0.05     0.04  -0.02  -0.03     0.04   0.10   0.14
    96   1     0.05   0.06   0.09     0.03   0.01   0.01    -0.09  -0.08  -0.16
    97   1    -0.02  -0.13   0.17     0.05   0.05  -0.08     0.00  -0.07   0.09
    98   1     0.02   0.18  -0.22    -0.05  -0.12   0.07     0.01   0.07  -0.10
    99   1     0.02   0.18  -0.23    -0.05  -0.08   0.10    -0.01   0.07  -0.10
   100   1    -0.02  -0.14   0.16     0.05   0.10  -0.05    -0.00  -0.06   0.10
   101   1    -0.00  -0.01   0.05     0.13   0.00  -0.10     0.03  -0.00   0.00
   102   1     0.01   0.05  -0.08    -0.09   0.01   0.16    -0.02   0.04   0.00
   103   1     0.02   0.03  -0.07    -0.15  -0.02   0.14    -0.03   0.01  -0.00
   104   1     0.00  -0.03   0.05     0.06  -0.04  -0.13     0.02  -0.03  -0.00
   105   1     0.03   0.00   0.05     0.02   0.01   0.03    -0.11   0.00  -0.23
   106   1    -0.05   0.01  -0.08    -0.03   0.01  -0.04     0.15  -0.03   0.23
   107   1    -0.04   0.00  -0.08    -0.03  -0.00  -0.04     0.13  -0.01   0.24
   108   1     0.04  -0.01   0.06     0.03  -0.01   0.03    -0.14   0.03  -0.22
   109   1    -0.04   0.02  -0.02    -0.04  -0.02  -0.05    -0.04   0.01  -0.03
   110   1     0.00   0.00   0.05     0.03   0.03  -0.05     0.02   0.01  -0.00
   111   1    -0.02   0.03   0.01    -0.02  -0.03  -0.05    -0.01   0.01  -0.02
   112   1    -0.01  -0.01   0.05     0.04   0.07  -0.04     0.01   0.01  -0.00
   113   1    -0.04   0.00   0.03     0.07  -0.03   0.03     0.00  -0.01   0.01
   114   1     0.01   0.04   0.01    -0.05  -0.04   0.01    -0.00   0.01  -0.00
   115   1    -0.04  -0.01   0.02     0.04  -0.01   0.04    -0.00  -0.01   0.00
   116   1     0.05   0.07  -0.00    -0.09  -0.07   0.01     0.01   0.02   0.00
   117   1    -0.02   0.03  -0.02    -0.07   0.06  -0.06    -0.03   0.03  -0.03
   118   1     0.02  -0.00   0.01     0.05  -0.02  -0.10     0.02  -0.01  -0.04
   119   1    -0.00   0.02  -0.00    -0.07   0.02  -0.07    -0.03   0.01  -0.03
   120   1     0.03   0.01   0.02     0.11   0.01  -0.10     0.04   0.00  -0.03
   121   1     0.00  -0.01   0.04     0.01  -0.13   0.04     0.00  -0.04   0.03
   122   1     0.00   0.02   0.02    -0.08   0.05   0.06    -0.01   0.03   0.03
   123   1     0.00   0.00   0.03     0.04  -0.07   0.06     0.01  -0.02   0.04
   124   1     0.00   0.01   0.01    -0.15   0.07   0.08    -0.04   0.03   0.03
   125   1    -0.04  -0.00  -0.01    -0.03  -0.00  -0.00     0.12   0.02   0.03
   126   1     0.01   0.01  -0.00     0.01   0.01  -0.01    -0.03  -0.01   0.05
   127   1    -0.02   0.00  -0.00    -0.02  -0.00  -0.00     0.06   0.02   0.03
   128   1     0.01   0.02  -0.00     0.01   0.01  -0.01    -0.02  -0.03   0.04
   129   1     0.01   0.00   0.02     0.02  -0.00   0.01    -0.04   0.02  -0.03
   130   1    -0.01   0.01   0.01    -0.01   0.00   0.01     0.02  -0.03  -0.00
   131   1     0.00   0.01   0.02     0.01   0.00   0.01    -0.01   0.00  -0.04
   132   1    -0.00   0.01   0.00    -0.01   0.00   0.01     0.01  -0.03   0.00
   133   1    -0.11   0.06   0.02    -0.10   0.05   0.02    -0.03   0.01   0.00
   134   1    -0.03  -0.03  -0.01    -0.03  -0.03  -0.00    -0.00  -0.01   0.00
   135   1     0.20  -0.11   0.12     0.18  -0.10   0.11     0.04  -0.02   0.02
   136   1    -0.08  -0.02  -0.14    -0.07  -0.02  -0.13    -0.02  -0.00  -0.03
   137   1    -0.04  -0.06  -0.10    -0.04  -0.05  -0.09    -0.00  -0.02  -0.01
   138   1    -0.03  -0.00   0.07    -0.03  -0.00   0.07    -0.00  -0.00   0.02
   139   1    -0.02   0.01   0.01    -0.02   0.01   0.01    -0.01  -0.00   0.01
   140   1    -0.02   0.08  -0.00    -0.02   0.08  -0.00    -0.01   0.02   0.00
   141   1     0.04  -0.08  -0.16     0.04  -0.08  -0.15     0.01  -0.03  -0.05
   142   1    -0.02   0.10   0.03    -0.02   0.10   0.03    -0.00   0.03   0.01
   143  17     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
                    145                    146                    147
                      A                      A                      A
 Frequencies --    751.7031               753.2579               754.6318
 Red. masses --      4.4602                 4.3716                 2.1326
 Frc consts  --      1.4849                 1.4614                 0.7155
 IR Inten    --      5.9693                 4.4647                 2.2084
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.02    -0.00  -0.01  -0.06    -0.00  -0.01  -0.03
     2   6     0.01   0.00  -0.01    -0.07   0.02  -0.00     0.01  -0.01   0.01
     3   6     0.00  -0.00   0.04    -0.04   0.03   0.05     0.00  -0.00   0.02
     4   6    -0.01  -0.01  -0.03     0.00   0.02  -0.00    -0.00   0.01   0.01
     5   6    -0.02  -0.01   0.02     0.05   0.02  -0.01     0.02   0.00  -0.01
     6   6    -0.00   0.00  -0.01     0.03   0.00  -0.01     0.01  -0.00   0.01
     7   6     0.03  -0.00  -0.03    -0.01   0.00  -0.06     0.01  -0.00  -0.05
     8   6    -0.01   0.00   0.03    -0.01  -0.03   0.01    -0.01  -0.00   0.04
     9   6    -0.02   0.02   0.04     0.00  -0.02   0.04     0.01   0.00   0.03
    10   6    -0.01  -0.01  -0.06     0.03  -0.01  -0.04    -0.02  -0.00  -0.04
    11   6     0.02  -0.01   0.01    -0.05   0.01  -0.01    -0.02  -0.01   0.01
    12   6     0.01   0.00  -0.02    -0.01   0.00   0.04     0.01  -0.00  -0.02
    13   6    -0.02   0.00   0.00     0.03   0.00   0.02    -0.01  -0.01   0.01
    14   6    -0.01   0.02  -0.03     0.06  -0.05   0.02    -0.00   0.01  -0.02
    15   7    -0.03  -0.03  -0.04     0.01  -0.06   0.02     0.01  -0.02  -0.01
    16   6     0.04   0.09   0.19    -0.00   0.02   0.05     0.03   0.01   0.04
    17   6    -0.04  -0.09  -0.17     0.01  -0.03  -0.05    -0.02  -0.01  -0.05
    18   7     0.02   0.03   0.06     0.04   0.03   0.01    -0.01   0.05   0.01
    19   6     0.01  -0.01  -0.09    -0.01   0.02  -0.03    -0.00  -0.06   0.02
    20   6     0.04   0.04   0.05     0.00   0.02   0.01    -0.01  -0.01   0.03
    21   6    -0.03  -0.06  -0.13    -0.00  -0.01  -0.02    -0.02  -0.00  -0.01
    22   6     0.01   0.02   0.04     0.01  -0.00   0.01    -0.01   0.03   0.00
    23   6     0.01   0.01  -0.02    -0.07  -0.08   0.16    -0.03  -0.01   0.04
    24   6     0.01  -0.04   0.05    -0.02   0.09  -0.12     0.01   0.00   0.01
    25   6     0.06  -0.05   0.19    -0.01  -0.01   0.02     0.02   0.01  -0.01
    26   6     0.00   0.02  -0.02    -0.01  -0.06   0.04    -0.00   0.01   0.01
    27   6    -0.00  -0.01   0.03     0.01   0.02  -0.08    -0.00   0.01   0.01
    28   6    -0.01   0.04  -0.05     0.02  -0.09   0.12    -0.01  -0.00  -0.01
    29   6    -0.00  -0.02   0.02    -0.00   0.06  -0.05     0.01  -0.01  -0.01
    30   6     0.00   0.01  -0.03    -0.01  -0.02   0.07     0.01  -0.01  -0.01
    31   6    -0.00  -0.01   0.01     0.01   0.03  -0.09     0.01   0.02  -0.01
    32   6     0.00  -0.00  -0.01    -0.03  -0.02   0.09    -0.00   0.01   0.03
    33   6    -0.01  -0.01   0.02     0.07   0.08  -0.16     0.03   0.01  -0.04
    34   6     0.00   0.01  -0.01    -0.02  -0.03   0.09    -0.01  -0.02   0.01
    35   6    -0.00   0.00   0.01     0.03   0.02  -0.08    -0.00  -0.00  -0.03
    36   6    -0.06   0.02  -0.07    -0.01   0.02   0.00     0.02  -0.03  -0.01
    37   6     0.01   0.02   0.11    -0.01   0.03   0.02     0.02  -0.03  -0.02
    38   6    -0.06   0.05  -0.19     0.02   0.01  -0.02    -0.03  -0.01   0.01
    39   6     0.05  -0.02   0.09     0.00  -0.03  -0.00     0.00   0.04   0.01
    40   6    -0.02  -0.02  -0.10     0.00  -0.03  -0.01    -0.00   0.04   0.01
    41   7    -0.00  -0.00  -0.00     0.01   0.01   0.01     0.01  -0.00   0.00
    42   7    -0.00   0.00   0.00     0.02  -0.00  -0.00    -0.01  -0.00  -0.00
    43   7     0.01   0.02   0.00     0.01   0.01  -0.00    -0.02  -0.01   0.01
    44   6    -0.01  -0.00  -0.00     0.02   0.01   0.03     0.00  -0.00  -0.03
    45   6    -0.01   0.00  -0.00     0.02  -0.02   0.00    -0.00   0.01   0.01
    46   6     0.01   0.01   0.00    -0.03  -0.01  -0.00     0.01  -0.00  -0.00
    47   6     0.00  -0.01   0.01     0.01   0.01  -0.03    -0.01  -0.00   0.02
    48   6     0.00   0.00  -0.00    -0.02   0.00   0.01     0.01   0.00   0.04
    49   6     0.00  -0.00   0.00    -0.01   0.03  -0.01    -0.01   0.00  -0.01
    50   6    -0.00  -0.00   0.00     0.03  -0.01  -0.01     0.01   0.01   0.01
    51   6    -0.00   0.00   0.00     0.01  -0.02   0.01     0.00  -0.02  -0.03
    52   6     0.01  -0.01   0.03     0.02   0.01   0.02    -0.03  -0.05  -0.06
    53   6    -0.04  -0.01   0.01    -0.01  -0.02   0.00     0.01   0.03   0.01
    54   6     0.00   0.03  -0.01    -0.01   0.01   0.00     0.02  -0.02  -0.02
    55   6     0.03   0.00  -0.02     0.01  -0.00  -0.03    -0.01   0.04   0.08
    56   6     0.02   0.01   0.01    -0.06  -0.02  -0.01     0.02   0.00   0.00
    57   6    -0.00   0.00  -0.00    -0.00  -0.00   0.02     0.01  -0.00  -0.01
    58   6    -0.00  -0.01  -0.00     0.00   0.01   0.01     0.00   0.00  -0.01
    59   6    -0.00  -0.01  -0.00     0.02   0.05   0.02    -0.01  -0.02  -0.01
    60   6    -0.01  -0.00  -0.00     0.03   0.00   0.00    -0.02   0.00   0.00
    61   6     0.00  -0.01   0.00    -0.01   0.02  -0.01    -0.00  -0.00   0.01
    62   6     0.00   0.01   0.00    -0.01  -0.02  -0.02    -0.00   0.01   0.02
    63   6    -0.00   0.00  -0.00    -0.01  -0.02  -0.00     0.01   0.01   0.01
    64   6    -0.00  -0.00   0.00     0.03  -0.02  -0.00    -0.00   0.01   0.00
    65   6     0.00  -0.00  -0.00    -0.01   0.02  -0.01     0.00   0.02   0.02
    66   6     0.00   0.00  -0.00    -0.02  -0.01   0.01    -0.01  -0.01   0.01
    67   6    -0.00   0.00  -0.00    -0.01  -0.01  -0.00     0.02  -0.00   0.01
    68   6    -0.00   0.01   0.00    -0.01  -0.01   0.00     0.00  -0.03  -0.01
    69   6     0.00   0.00  -0.00    -0.01  -0.02   0.01     0.00  -0.00  -0.01
    70   6    -0.00   0.00   0.00     0.02  -0.00  -0.01    -0.01  -0.01  -0.02
    71   6     0.01  -0.00   0.00    -0.02   0.03  -0.00    -0.03   0.01  -0.01
    72   6    -0.01   0.01  -0.01    -0.04  -0.00   0.01     0.05  -0.01  -0.03
    73   6    -0.03   0.01   0.00    -0.01   0.01   0.01     0.02  -0.04  -0.04
    74   6     0.01  -0.03   0.02     0.01  -0.01   0.01    -0.01   0.00  -0.02
    75   6     0.02   0.01  -0.01     0.02   0.03  -0.01    -0.03  -0.06  -0.00
    76   6     0.05  -0.02  -0.00     0.04  -0.01  -0.01    -0.05   0.03   0.03
    77   6     0.02  -0.01   0.00    -0.00   0.00  -0.01     0.01  -0.00   0.02
    78   6     0.00   0.00  -0.02    -0.01  -0.01  -0.01     0.01   0.05   0.03
    79   6    -0.07  -0.03   0.02    -0.03  -0.02   0.01     0.04   0.04  -0.01
    80   8    -0.01  -0.00   0.00     0.04   0.00  -0.02     0.01   0.00  -0.00
    81  15    -0.01   0.00  -0.01     0.03  -0.01   0.00     0.01  -0.01   0.00
    82   8     0.03  -0.01   0.00    -0.08   0.03  -0.00    -0.01   0.01  -0.00
    83   8     0.00  -0.00  -0.00    -0.03   0.01   0.06    -0.01   0.00   0.01
    84   6    -0.01   0.01   0.01     0.01  -0.04  -0.04     0.00  -0.01  -0.01
    85   6     0.00   0.00   0.01    -0.00  -0.01  -0.02    -0.00  -0.00  -0.00
    86   6     0.00  -0.00   0.00    -0.00   0.04  -0.03     0.00   0.01  -0.01
    87   6     0.00  -0.00  -0.00    -0.00   0.02  -0.00    -0.00   0.01  -0.00
    88   1     0.00  -0.00  -0.10    -0.08   0.06   0.04     0.01  -0.01   0.01
    89   1    -0.02  -0.02   0.01     0.06   0.02   0.05     0.02  -0.00  -0.01
    90   1     0.01  -0.01  -0.07     0.02   0.02   0.14     0.01   0.00   0.04
    91   1    -0.01  -0.00   0.14    -0.06  -0.01  -0.03    -0.05  -0.02   0.09
    92   1    -0.04  -0.01   0.10     0.05   0.02  -0.12    -0.02  -0.01   0.05
    93   1    -0.04   0.00   0.02     0.09  -0.03  -0.05    -0.00   0.01  -0.02
    94   1    -0.01  -0.04  -0.16    -0.01  -0.00  -0.07    -0.02  -0.09  -0.04
    95   1     0.08   0.11   0.16    -0.01   0.01   0.01     0.00   0.00  -0.02
    96   1     0.07   0.20   0.41     0.03   0.04   0.09     0.01   0.06   0.07
    97   1    -0.00   0.05  -0.07     0.01  -0.13   0.16    -0.01   0.01  -0.00
    98   1    -0.00  -0.04   0.06    -0.01   0.07  -0.14     0.02   0.01   0.01
    99   1     0.01  -0.04   0.06    -0.03   0.09  -0.14     0.02  -0.00   0.01
   100   1     0.00   0.05  -0.07    -0.00  -0.11   0.17    -0.01  -0.01  -0.01
   101   1    -0.01  -0.01   0.02     0.08   0.09  -0.24     0.04   0.03  -0.06
   102   1     0.01   0.00  -0.02    -0.06  -0.08   0.19    -0.03   0.01   0.04
   103   1     0.01   0.01  -0.02    -0.06  -0.07   0.19    -0.04  -0.01   0.05
   104   1    -0.01  -0.01   0.03     0.08   0.10  -0.24     0.03   0.01  -0.06
   105   1    -0.10   0.06  -0.26     0.00   0.02  -0.02    -0.01  -0.03   0.01
   106   1     0.04  -0.02   0.22    -0.04  -0.00   0.03     0.06   0.00  -0.01
   107   1     0.06  -0.04   0.22    -0.03  -0.02   0.02     0.04   0.03  -0.04
   108   1    -0.08   0.03  -0.28     0.02  -0.00  -0.03    -0.03   0.02   0.00
   109   1     0.02  -0.00   0.02    -0.04  -0.01  -0.13    -0.02   0.01   0.08
   110   1    -0.02  -0.01   0.01     0.07   0.02  -0.11    -0.04   0.00   0.09
   111   1     0.01  -0.00   0.02     0.02  -0.02  -0.13    -0.03   0.02   0.09
   112   1    -0.01  -0.01   0.01     0.05   0.03  -0.05    -0.02  -0.01   0.04
   113   1    -0.01   0.01  -0.00     0.02  -0.03   0.04     0.00   0.01  -0.05
   114   1     0.00  -0.01   0.00    -0.05   0.03   0.05     0.05  -0.02  -0.08
   115   1     0.00   0.01  -0.01    -0.02  -0.02   0.08     0.03  -0.00  -0.10
   116   1    -0.00  -0.01  -0.00    -0.04   0.02   0.06     0.05  -0.00  -0.07
   117   1     0.00   0.00   0.00     0.02  -0.05   0.04    -0.03  -0.03  -0.10
   118   1    -0.00  -0.00   0.01    -0.01   0.03   0.03    -0.02  -0.03  -0.13
   119   1     0.00   0.00   0.00     0.00  -0.02   0.05    -0.04  -0.04  -0.10
   120   1    -0.00  -0.00   0.00     0.00   0.02   0.02     0.01  -0.01  -0.06
   121   1    -0.00   0.00  -0.01     0.02   0.01   0.02     0.02  -0.00   0.07
   122   1     0.00  -0.00  -0.01    -0.02  -0.00   0.04     0.02   0.05   0.13
   123   1    -0.00   0.00  -0.01     0.03  -0.00   0.02     0.04   0.03   0.15
   124   1     0.01  -0.01  -0.01    -0.05   0.01   0.03    -0.01   0.05   0.12
   125   1     0.02  -0.03  -0.01    -0.04  -0.05  -0.05     0.07   0.19   0.20
   126   1    -0.02   0.01  -0.03    -0.00  -0.03  -0.09     0.02   0.19   0.30
   127   1     0.01  -0.03   0.01    -0.02  -0.06  -0.05     0.04   0.23   0.22
   128   1    -0.01   0.04  -0.03     0.00   0.01  -0.06     0.00   0.05   0.15
   129   1     0.05   0.03   0.04     0.05   0.01   0.04    -0.07  -0.07  -0.13
   130   1    -0.02   0.02   0.09    -0.02   0.05   0.07     0.02  -0.21  -0.23
   131   1     0.05   0.05   0.06     0.04   0.05   0.08    -0.06  -0.20  -0.27
   132   1    -0.05  -0.02   0.11    -0.03   0.03   0.08     0.03  -0.16  -0.24
   133   1    -0.01   0.01   0.01     0.07  -0.04  -0.01     0.01  -0.01  -0.00
   134   1    -0.01  -0.00  -0.00     0.01   0.03   0.00     0.00   0.00  -0.00
   135   1     0.04  -0.02   0.03    -0.12   0.07  -0.08    -0.02   0.01  -0.01
   136   1    -0.01  -0.00  -0.03     0.05   0.01   0.09     0.01   0.00   0.02
   137   1    -0.01  -0.01  -0.02     0.02   0.04   0.06     0.00   0.01   0.01
   138   1    -0.00  -0.00   0.00     0.02   0.00  -0.05     0.00   0.00  -0.01
   139   1    -0.00   0.00  -0.00     0.02  -0.01  -0.01     0.00   0.00  -0.01
   140   1    -0.00   0.00  -0.00     0.02  -0.05   0.00     0.00  -0.02  -0.00
   141   1     0.00  -0.00  -0.00    -0.03   0.06   0.11    -0.01   0.02   0.03
   142   1    -0.00   0.00   0.00     0.01  -0.07  -0.02     0.00  -0.02  -0.00
   143  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
                    148                    149                    150
                      A                      A                      A
 Frequencies --    755.3807               755.6410               756.5461
 Red. masses --      1.4629                 1.4864                 2.6030
 Frc consts  --      0.4918                 0.5001                 0.8778
 IR Inten    --      1.9767                 2.4185                 2.4920
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.01   0.04
     2   6     0.00   0.00  -0.00    -0.01   0.00   0.00    -0.02   0.01  -0.01
     3   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.01  -0.03
     5   6    -0.00  -0.00   0.00     0.01   0.00  -0.00    -0.01   0.00   0.01
     6   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.01
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.01   0.05
     8   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.02  -0.00  -0.05
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.01  -0.02
    10   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.02   0.00   0.04
    11   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.01   0.01  -0.01
    12   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.04
    13   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.01  -0.02
    14   6    -0.00  -0.00  -0.00     0.01  -0.00   0.00     0.01  -0.02   0.03
    15   7    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.02   0.01   0.01
    16   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.03   0.01  -0.03
    17   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.01   0.03
    18   7    -0.00   0.00  -0.00     0.00   0.00   0.00     0.02  -0.05  -0.00
    19   6     0.00  -0.01   0.00     0.00   0.00  -0.00     0.00   0.08  -0.03
    20   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.02   0.01  -0.02
    21   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.01
    22   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.03   0.00
    23   6     0.00   0.00  -0.00    -0.01  -0.00   0.01     0.03   0.01  -0.03
    24   6     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.01   0.01  -0.03
    25   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.03  -0.01   0.02
    26   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.02  -0.00
    27   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.02
    28   6     0.00   0.00  -0.00     0.00  -0.00   0.01     0.01  -0.01   0.03
    29   6    -0.00  -0.00   0.00    -0.00   0.01  -0.00    -0.01   0.02  -0.00
    30   6    -0.00  -0.00  -0.00    -0.00   0.00   0.01    -0.01   0.01   0.02
    31   6     0.00  -0.00   0.00     0.00   0.01  -0.00    -0.01  -0.02   0.00
    32   6     0.00   0.00  -0.00     0.00   0.00   0.01    -0.00  -0.02  -0.03
    33   6    -0.00  -0.00   0.00     0.01   0.00  -0.01    -0.03  -0.00   0.03
    34   6     0.00  -0.00   0.00    -0.01  -0.01   0.01     0.02   0.02  -0.01
    35   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.01     0.00   0.01   0.02
    36   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.04   0.01
    37   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.03   0.05   0.02
    38   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.04   0.02  -0.02
    39   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.06  -0.00
    40   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.05  -0.01
    41   7     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    42   7    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
    43   7     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.03   0.01  -0.01
    44   6    -0.03   0.01   0.06     0.03  -0.01  -0.06     0.02  -0.01  -0.01
    45   6     0.01  -0.00  -0.02    -0.01  -0.00   0.02    -0.00  -0.01   0.01
    46   6    -0.01   0.00   0.02     0.00  -0.00  -0.02    -0.01   0.00  -0.01
    47   6     0.03  -0.01  -0.06    -0.03   0.02   0.06    -0.00   0.02   0.02
    48   6    -0.01  -0.02  -0.06    -0.02  -0.03  -0.07     0.01   0.02   0.02
    49   6     0.00   0.01   0.02    -0.00   0.01   0.02     0.01  -0.01  -0.01
    50   6    -0.01  -0.00  -0.02    -0.00  -0.00  -0.02    -0.00  -0.01   0.01
    51   6     0.02   0.02   0.06     0.02   0.02   0.07    -0.02  -0.00  -0.02
    52   6    -0.00  -0.03  -0.03     0.00  -0.01  -0.01     0.04  -0.06  -0.05
    53   6     0.00   0.01   0.01    -0.00   0.00   0.00    -0.01  -0.01   0.04
    54   6    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.03  -0.00  -0.03
    55   6     0.00   0.03   0.03     0.00   0.01   0.01     0.02   0.09   0.03
    56   6    -0.00   0.01   0.02    -0.01  -0.01  -0.02    -0.03  -0.01  -0.02
    57   6    -0.02   0.01   0.04     0.02  -0.01  -0.04    -0.00  -0.00  -0.01
    58   6    -0.01   0.00   0.01     0.01  -0.00  -0.01     0.01  -0.01  -0.00
    59   6    -0.02   0.00   0.03     0.02   0.00  -0.03     0.02   0.02  -0.01
    60   6     0.01  -0.01  -0.04    -0.00   0.00   0.04     0.02   0.00   0.02
    61   6     0.01  -0.00  -0.01    -0.01   0.01   0.01    -0.01   0.01   0.00
    62   6     0.02  -0.01  -0.04    -0.02   0.01   0.04    -0.01  -0.01   0.01
    63   6     0.01  -0.00  -0.02    -0.02  -0.00   0.01    -0.02  -0.02   0.00
    64   6    -0.01  -0.00  -0.02    -0.01   0.00  -0.02     0.02  -0.02   0.01
    65   6    -0.01  -0.01  -0.04    -0.01  -0.01  -0.05     0.01  -0.01   0.02
    66   6    -0.00  -0.00  -0.01    -0.01  -0.01  -0.01     0.01   0.01   0.00
    67   6    -0.00  -0.01  -0.03     0.00  -0.02  -0.04    -0.02   0.01   0.02
    68   6     0.01   0.01   0.03     0.01   0.00   0.04    -0.01   0.03  -0.02
    69   6     0.00   0.00   0.01     0.01   0.00   0.01    -0.01  -0.00  -0.00
    70   6     0.01   0.01   0.04     0.01   0.02   0.04     0.00  -0.01  -0.02
    71   6     0.00   0.01   0.02    -0.01   0.02   0.02     0.03  -0.02  -0.01
    72   6    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.09  -0.03   0.00
    73   6    -0.00  -0.02  -0.02    -0.00  -0.00  -0.00    -0.04  -0.03  -0.04
    74   6    -0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.02  -0.03   0.01
    75   6    -0.00  -0.02  -0.02     0.00  -0.00  -0.00     0.05   0.02  -0.08
    76   6     0.00   0.02   0.02     0.00   0.00   0.00     0.09   0.02   0.03
    77   6     0.00   0.01   0.01     0.00   0.00   0.00    -0.01   0.03  -0.01
    78   6     0.00   0.02   0.02    -0.00   0.00   0.00    -0.02   0.01   0.05
    79   6    -0.00   0.01   0.01    -0.00   0.00   0.00    -0.07  -0.03   0.06
    80   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    81  15    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    82   8     0.01  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    83   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    84   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    85   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    86   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    87   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    88   1     0.01  -0.00  -0.00    -0.01   0.00   0.01    -0.02   0.02  -0.04
    89   1    -0.01  -0.00   0.00     0.01   0.00   0.00    -0.01   0.01   0.03
    90   1     0.00  -0.01  -0.00     0.00  -0.00   0.01    -0.01   0.00  -0.05
    91   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.05   0.02  -0.11
    92   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.03   0.02  -0.07
    93   1     0.00   0.00   0.00     0.01  -0.01  -0.00     0.01  -0.02   0.03
    94   1     0.00  -0.01  -0.00     0.00   0.00  -0.00     0.02   0.10   0.01
    95   1     0.01   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.02
    96   1    -0.00   0.01   0.00    -0.00  -0.00   0.00     0.00  -0.05  -0.03
    97   1    -0.00  -0.00  -0.00     0.01   0.00   0.00     0.01  -0.03   0.03
    98   1    -0.00  -0.01   0.02    -0.00   0.01  -0.02    -0.02   0.00  -0.04
    99   1    -0.00   0.01  -0.01    -0.01  -0.01   0.01    -0.02   0.01  -0.02
   100   1    -0.00   0.01  -0.01     0.00  -0.01   0.02     0.01  -0.02   0.04
   101   1    -0.00  -0.01   0.01     0.01   0.00  -0.01    -0.03  -0.02   0.04
   102   1    -0.00  -0.01   0.01    -0.01  -0.01   0.03     0.03  -0.01  -0.04
   103   1     0.01   0.00  -0.02    -0.00   0.00  -0.01     0.03  -0.00  -0.02
   104   1     0.00   0.00  -0.00     0.01   0.01  -0.03    -0.03  -0.01   0.05
   105   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.02   0.04  -0.01
   106   1     0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.06  -0.01   0.06
   107   1     0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.07  -0.04   0.01
   108   1    -0.00   0.00  -0.01     0.00   0.00  -0.00     0.03  -0.02  -0.04
   109   1     0.10  -0.04  -0.20    -0.11   0.04   0.20    -0.06   0.01   0.04
   110   1     0.11  -0.05  -0.26    -0.11   0.06   0.25    -0.03   0.05   0.07
   111   1     0.11  -0.05  -0.23    -0.11   0.04   0.23    -0.04   0.00   0.06
   112   1     0.05  -0.03  -0.11    -0.04   0.04   0.11    -0.00   0.04   0.02
   113   1    -0.05   0.02   0.10     0.06  -0.03  -0.10     0.04  -0.03  -0.02
   114   1    -0.11   0.05   0.24     0.10  -0.05  -0.24     0.02  -0.01  -0.09
   115   1    -0.12   0.05   0.26     0.13  -0.06  -0.26     0.06  -0.04  -0.08
   116   1    -0.09   0.04   0.21     0.08  -0.05  -0.21     0.01  -0.03  -0.07
   117   1     0.04   0.07   0.19     0.05   0.09   0.23    -0.01  -0.05  -0.09
   118   1     0.06   0.08   0.23     0.09   0.10   0.28    -0.06  -0.06  -0.11
   119   1     0.06   0.07   0.21     0.07   0.09   0.26    -0.01  -0.04  -0.11
   120   1     0.03   0.03   0.09     0.05   0.04   0.11    -0.05  -0.03  -0.04
   121   1    -0.03  -0.04  -0.10    -0.03  -0.06  -0.11     0.01   0.05   0.02
   122   1    -0.06  -0.07  -0.21    -0.07  -0.08  -0.25     0.04   0.02   0.09
   123   1    -0.06  -0.08  -0.23    -0.07  -0.11  -0.28     0.03   0.07   0.09
   124   1    -0.05  -0.06  -0.19    -0.08  -0.07  -0.22     0.06   0.01   0.07
   125   1     0.01   0.10   0.11    -0.00   0.02   0.02    -0.08   0.17   0.21
   126   1     0.01   0.12   0.14     0.00   0.02   0.02     0.01   0.30   0.19
   127   1     0.01   0.11   0.12     0.00   0.02   0.02    -0.02   0.18   0.25
   128   1     0.00   0.05   0.06     0.00   0.01   0.01     0.02   0.18   0.02
   129   1    -0.00  -0.05  -0.06     0.00  -0.01  -0.01     0.10  -0.14  -0.06
   130   1    -0.01  -0.11  -0.12    -0.00  -0.02  -0.02    -0.06  -0.20  -0.21
   131   1    -0.01  -0.12  -0.13     0.00  -0.02  -0.02     0.06  -0.26  -0.20
   132   1    -0.01  -0.10  -0.11    -0.00  -0.02  -0.02    -0.09  -0.22  -0.14
   133   1    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
   134   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
   135   1     0.01  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
   136   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
   137   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   138   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
   139   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.01
   140   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
   141   1     0.00  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.01  -0.01
   142   1    -0.00   0.01   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   143  17     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
                    151                    152                    153
                      A                      A                      A
 Frequencies --    763.2748               764.3305               764.4171
 Red. masses --      3.5184                 1.5658                 1.5648
 Frc consts  --      1.2077                 0.5390                 0.5387
 IR Inten    --     10.9777                50.5877                15.8813
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.13    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.03   0.03   0.05    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01   0.01  -0.12    -0.00   0.00  -0.00    -0.00   0.00   0.01
     4   6    -0.01   0.01   0.16    -0.00   0.00   0.00     0.00  -0.00  -0.01
     5   6    -0.01  -0.02  -0.06    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.01   0.00   0.07     0.00  -0.00   0.00     0.00  -0.00  -0.00
     7   6     0.04   0.00  -0.07     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.03  -0.02   0.13    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   6     0.01  -0.01  -0.04     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   6     0.02  -0.00  -0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    11   6     0.01  -0.01   0.05     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.03   0.02  -0.11     0.00   0.00  -0.00    -0.00  -0.00   0.01
    13   6    -0.03  -0.01   0.05    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   6     0.01   0.01  -0.06     0.00   0.00  -0.00     0.00  -0.00   0.00
    15   7    -0.02   0.03   0.02     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   6    -0.03  -0.02  -0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6     0.02   0.00   0.06     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   7     0.03  -0.00  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   6     0.00   0.03  -0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    20   6    -0.00   0.01  -0.03    -0.00   0.00   0.00     0.00  -0.00   0.00
    21   6     0.02   0.01   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   6     0.00  -0.03   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    23   6    -0.03  -0.04   0.07    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   6     0.00  -0.06   0.06     0.00  -0.00   0.00    -0.00   0.01  -0.01
    25   6    -0.01  -0.00   0.01    -0.00   0.00  -0.01     0.00   0.00  -0.00
    26   6     0.01   0.02  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    27   6     0.00  -0.02   0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   6    -0.00   0.05  -0.06    -0.00   0.00  -0.00     0.00  -0.01   0.01
    29   6    -0.01  -0.02   0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    30   6    -0.00   0.01  -0.03    -0.00   0.00  -0.00     0.00  -0.00   0.01
    31   6    -0.00   0.00  -0.03    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    32   6    -0.02  -0.02   0.03    -0.00  -0.00   0.00    -0.00   0.00   0.00
    33   6     0.02   0.04  -0.07     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   6     0.01  -0.01   0.05     0.00  -0.00   0.00    -0.00  -0.00   0.00
    35   6     0.03   0.00  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    36   6    -0.01   0.01   0.00     0.01   0.00   0.00     0.00  -0.00   0.00
    37   6    -0.01   0.01   0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
    38   6     0.01   0.01  -0.01     0.00  -0.00   0.01    -0.00  -0.00   0.00
    39   6    -0.00  -0.02   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    40   6    -0.01  -0.02  -0.00    -0.00  -0.00   0.01     0.00   0.00   0.00
    41   7    -0.01   0.01  -0.01     0.00   0.00   0.01     0.01   0.01   0.03
    42   7     0.00   0.00  -0.01    -0.00   0.00   0.01     0.02  -0.00  -0.04
    43   7     0.01   0.00  -0.01    -0.00  -0.03  -0.04    -0.00  -0.00  -0.00
    44   6    -0.02   0.00   0.04     0.01  -0.00  -0.01    -0.03   0.01   0.08
    45   6    -0.01   0.00  -0.01    -0.00   0.00   0.00     0.01  -0.00  -0.02
    46   6     0.01   0.01  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.02
    47   6    -0.01   0.00   0.04     0.01  -0.00  -0.01    -0.04   0.02   0.08
    48   6    -0.01   0.03   0.04    -0.00  -0.00  -0.01    -0.02  -0.02  -0.07
    49   6     0.00   0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.02
    50   6     0.01  -0.02  -0.00     0.00   0.00   0.00     0.00   0.01   0.01
    51   6    -0.01   0.01   0.04    -0.00  -0.00  -0.01    -0.02  -0.02  -0.06
    52   6     0.03   0.00  -0.00     0.01   0.08   0.09    -0.00   0.00   0.00
    53   6     0.00  -0.01   0.01    -0.00  -0.02  -0.02    -0.00   0.00  -0.00
    54   6    -0.01   0.01  -0.01    -0.00  -0.02  -0.02     0.00  -0.00  -0.00
    55   6     0.02   0.02  -0.01     0.01   0.07   0.08    -0.00   0.00   0.00
    56   6     0.02   0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
    57   6     0.01  -0.00  -0.03    -0.00   0.00   0.01     0.02  -0.01  -0.05
    58   6     0.00  -0.01  -0.01    -0.00   0.00   0.00     0.01  -0.00  -0.01
    59   6     0.01  -0.01  -0.02    -0.00   0.00   0.01     0.02  -0.01  -0.04
    60   6     0.01  -0.01  -0.02    -0.00   0.00   0.01     0.02  -0.01  -0.04
    61   6     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
    62   6     0.02   0.00  -0.02    -0.00   0.00   0.01     0.02  -0.01  -0.05
    63   6    -0.01  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.01
    64   6     0.03  -0.04  -0.00     0.00  -0.00   0.00     0.00   0.00   0.01
    65   6    -0.00  -0.02  -0.02     0.00   0.00   0.01     0.01   0.01   0.04
    66   6     0.00   0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.01
    67   6    -0.04   0.00  -0.01     0.00   0.00   0.01     0.01   0.01   0.03
    68   6    -0.02   0.01  -0.02     0.00   0.00   0.00     0.01   0.01   0.03
    69   6    -0.02  -0.03   0.00     0.00  -0.00   0.00     0.00   0.00   0.01
    70   6     0.02  -0.01  -0.03     0.00   0.00   0.01     0.01   0.01   0.04
    71   6     0.02  -0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.01
    72   6    -0.04  -0.00   0.00    -0.00  -0.01  -0.01     0.00  -0.00  -0.00
    73   6    -0.03   0.00  -0.00    -0.00  -0.05  -0.05     0.00  -0.00  -0.00
    74   6     0.01  -0.02   0.02    -0.00  -0.01  -0.01    -0.00   0.00  -0.00
    75   6     0.03   0.02  -0.03    -0.00  -0.04  -0.04    -0.00  -0.00  -0.00
    76   6     0.05   0.00  -0.00    -0.00  -0.04  -0.04    -0.00  -0.00  -0.00
    77   6    -0.01   0.02  -0.01    -0.00  -0.01  -0.01     0.00  -0.00   0.00
    78   6    -0.01  -0.02   0.02    -0.00  -0.05  -0.05     0.00  -0.00  -0.00
    79   6    -0.03  -0.02   0.02    -0.00  -0.01  -0.01     0.00   0.00  -0.00
    80   8    -0.02  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    81  15    -0.02   0.02  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    82   8     0.05  -0.02   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    83   8     0.02  -0.00  -0.04     0.00  -0.00  -0.00    -0.00   0.00   0.00
    84   6    -0.01   0.03   0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    85   6     0.00   0.01   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    86   6     0.00  -0.03   0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
    87   6     0.00  -0.02  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    88   1    -0.02   0.07   0.31    -0.00   0.00   0.01    -0.00  -0.00  -0.01
    89   1    -0.01  -0.05  -0.19    -0.00  -0.00  -0.00     0.00   0.00   0.01
    90   1     0.04   0.00   0.15     0.00   0.00   0.00    -0.00   0.00   0.00
    91   1    -0.02   0.02   0.21    -0.00   0.00   0.01     0.00  -0.00  -0.01
    92   1    -0.06  -0.02   0.12    -0.00  -0.00   0.00     0.00   0.00  -0.01
    93   1     0.04   0.03  -0.14     0.00   0.00  -0.00     0.00   0.00  -0.00
    94   1     0.04   0.06   0.06    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    95   1    -0.01   0.02   0.01    -0.00  -0.01  -0.01     0.00  -0.00  -0.00
    96   1    -0.04  -0.07  -0.08    -0.00  -0.00  -0.01     0.00   0.00   0.00
    97   1     0.01   0.10  -0.12     0.00   0.00  -0.00    -0.00  -0.01   0.01
    98   1     0.00  -0.02   0.05     0.00  -0.00   0.00    -0.01   0.01  -0.01
    99   1    -0.01  -0.03   0.04    -0.00  -0.00   0.00     0.00   0.01  -0.01
   100   1    -0.00   0.10  -0.12    -0.00   0.00  -0.00     0.00  -0.00   0.01
   101   1     0.05   0.06  -0.14     0.00   0.00  -0.00    -0.00   0.00   0.00
   102   1     0.00  -0.02   0.04    -0.00  -0.00   0.00    -0.01  -0.00   0.01
   103   1     0.02  -0.03   0.05     0.00  -0.00   0.00    -0.00  -0.01   0.01
   104   1     0.07   0.06  -0.13     0.00   0.00  -0.00     0.00  -0.00  -0.00
   105   1    -0.00   0.01  -0.00     0.01   0.00   0.00     0.00  -0.00   0.00
   106   1    -0.02  -0.01   0.02    -0.00   0.01  -0.01     0.00   0.00  -0.00
   107   1    -0.03  -0.01   0.01    -0.01   0.00  -0.01     0.00   0.00  -0.00
   108   1    -0.00  -0.01  -0.01    -0.00  -0.00   0.01     0.00   0.00   0.00
   109   1    -0.03   0.01   0.13     0.02  -0.01  -0.03    -0.11   0.04   0.23
   110   1    -0.08   0.03   0.16     0.02  -0.01  -0.04    -0.14   0.06   0.31
   111   1    -0.06   0.02   0.15     0.02  -0.01  -0.04    -0.13   0.05   0.28
   112   1    -0.04   0.01   0.07     0.01  -0.00  -0.02    -0.05   0.03   0.11
   113   1    -0.03   0.02   0.07     0.01  -0.00  -0.02    -0.05   0.02   0.11
   114   1    -0.07   0.01   0.15     0.02  -0.01  -0.04    -0.13   0.05   0.27
   115   1    -0.07   0.04   0.16     0.02  -0.01  -0.04    -0.14   0.05   0.30
   116   1    -0.06   0.00   0.11     0.01  -0.01  -0.03    -0.10   0.04   0.23
   117   1     0.05  -0.01   0.12    -0.01  -0.01  -0.03    -0.05  -0.06  -0.18
   118   1     0.00   0.04   0.16    -0.01  -0.01  -0.04    -0.06  -0.08  -0.24
   119   1     0.05   0.03   0.13    -0.01  -0.01  -0.03    -0.06  -0.07  -0.22
   120   1    -0.03   0.01   0.08    -0.00  -0.00  -0.01    -0.02  -0.03  -0.09
   121   1     0.03   0.07   0.05    -0.00  -0.00  -0.01    -0.02  -0.03  -0.09
   122   1     0.03   0.03   0.16    -0.01  -0.01  -0.03    -0.06  -0.08  -0.23
   123   1     0.07   0.09   0.15    -0.01  -0.01  -0.04    -0.07  -0.09  -0.25
   124   1     0.03   0.03   0.12    -0.01  -0.01  -0.03    -0.05  -0.06  -0.19
   125   1    -0.04   0.01   0.02     0.02   0.21   0.24     0.00   0.01   0.01
   126   1    -0.01   0.06  -0.02     0.02   0.28   0.31     0.00   0.01   0.01
   127   1    -0.00  -0.00   0.04     0.02   0.26   0.28     0.00   0.01   0.01
   128   1     0.00   0.06  -0.03     0.01   0.11   0.12     0.00   0.00   0.01
   129   1     0.05  -0.03   0.02     0.01   0.11   0.12    -0.00   0.00   0.00
   130   1    -0.02   0.01  -0.01     0.01   0.26   0.29     0.00   0.01   0.01
   131   1     0.04  -0.04   0.03     0.02   0.29   0.32    -0.00   0.01   0.01
   132   1    -0.03  -0.02   0.02     0.02   0.22   0.25     0.00   0.01   0.01
   133   1    -0.05   0.03   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
   134   1    -0.01  -0.02   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   135   1     0.09  -0.05   0.06     0.00  -0.00   0.00    -0.01   0.00  -0.00
   136   1    -0.04  -0.01  -0.06    -0.00  -0.00  -0.00     0.00   0.00   0.00
   137   1    -0.01  -0.03  -0.04    -0.00  -0.00  -0.00     0.00   0.00   0.00
   138   1    -0.01  -0.00   0.04    -0.00   0.00   0.00     0.00   0.00  -0.00
   139   1    -0.01   0.00   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
   140   1    -0.01   0.04  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   141   1     0.02  -0.05  -0.09     0.00  -0.00  -0.00    -0.00   0.00   0.01
   142   1    -0.01   0.05   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
   143  17    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                    154                    155                    156
                      A                      A                      A
 Frequencies --    764.5249               767.1576               776.3465
 Red. masses --      1.7212                 5.7153                 5.7275
 Frc consts  --      0.5927                 1.9818                 2.0339
 IR Inten    --    148.7747                12.3723                 2.4925
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.03    -0.04   0.04   0.02    -0.04   0.02   0.02
     2   6     0.01  -0.01  -0.01     0.02   0.06  -0.02    -0.03   0.02  -0.01
     3   6     0.00  -0.00   0.03     0.03   0.07   0.01    -0.00   0.03   0.03
     4   6     0.00  -0.00  -0.04     0.04  -0.04  -0.03     0.03   0.01  -0.03
     5   6     0.00   0.01   0.02    -0.05  -0.05   0.01     0.06   0.02   0.01
     6   6    -0.00   0.00  -0.02    -0.04  -0.05  -0.01     0.00  -0.03  -0.01
     7   6    -0.01  -0.00   0.02    -0.01   0.08  -0.00    -0.02  -0.02   0.01
     8   6     0.01   0.01  -0.03    -0.05  -0.02  -0.02     0.03  -0.02  -0.02
     9   6    -0.00   0.00   0.01    -0.03  -0.02   0.04     0.01  -0.01   0.01
    10   6    -0.01   0.00   0.01     0.03  -0.01   0.00     0.01  -0.02   0.00
    11   6    -0.00   0.00  -0.01    -0.01   0.07   0.00    -0.04  -0.01  -0.02
    12   6    -0.01  -0.00   0.03     0.05   0.03   0.02    -0.05  -0.02   0.00
    13   6     0.01   0.00  -0.01     0.03  -0.06   0.00     0.02   0.04   0.00
    14   6    -0.00  -0.00   0.01     0.04  -0.07   0.01     0.05  -0.03   0.03
    15   7     0.00  -0.01  -0.00    -0.01  -0.03   0.00     0.01  -0.01  -0.01
    16   6     0.01   0.01   0.01     0.03  -0.01   0.02    -0.00   0.01  -0.01
    17   6    -0.00  -0.00  -0.02    -0.03   0.02  -0.03    -0.01  -0.00  -0.00
    18   7    -0.01  -0.00   0.01    -0.01   0.09  -0.03     0.00  -0.01   0.01
    19   6    -0.00  -0.01   0.00     0.02  -0.07   0.03    -0.00   0.03  -0.01
    20   6     0.00  -0.00   0.01     0.01  -0.02   0.01     0.00  -0.00   0.00
    21   6    -0.00  -0.00  -0.00    -0.04  -0.00   0.00    -0.01  -0.01   0.00
    22   6     0.00   0.01  -0.00    -0.03   0.03  -0.01    -0.01  -0.01   0.01
    23   6     0.01   0.01  -0.02     0.00  -0.00  -0.00    -0.04   0.03   0.01
    24   6    -0.00   0.02  -0.02    -0.01  -0.01   0.00    -0.05  -0.00  -0.04
    25   6     0.00   0.00  -0.00     0.01  -0.00   0.01    -0.01  -0.01   0.01
    26   6    -0.01  -0.01   0.01    -0.02  -0.02  -0.02     0.06  -0.04  -0.03
    27   6    -0.00   0.00  -0.01    -0.02  -0.04  -0.02     0.05  -0.03  -0.04
    28   6    -0.00  -0.02   0.02     0.03   0.02   0.01     0.04  -0.00   0.03
    29   6     0.00   0.01  -0.01    -0.04   0.01   0.01    -0.01   0.06   0.03
    30   6     0.00  -0.00   0.01    -0.04  -0.00  -0.00    -0.01   0.06   0.06
    31   6     0.00  -0.00   0.01     0.01  -0.03  -0.01     0.06   0.03   0.03
    32   6     0.01   0.00  -0.01     0.01  -0.04  -0.01     0.05   0.02   0.04
    33   6    -0.01  -0.01   0.02    -0.02   0.02   0.00     0.03  -0.02  -0.01
    34   6    -0.00   0.01  -0.01     0.04  -0.00   0.01    -0.02  -0.05  -0.03
    35   6    -0.01   0.00   0.01     0.03  -0.01   0.01    -0.02  -0.07  -0.04
    36   6     0.00  -0.00  -0.00     0.02  -0.00  -0.01     0.00   0.02   0.00
    37   6     0.00  -0.00  -0.00     0.02  -0.01  -0.01     0.00   0.01   0.00
    38   6    -0.00  -0.00   0.00    -0.02  -0.00  -0.00     0.01   0.00  -0.01
    39   6     0.00   0.00  -0.00     0.01   0.02   0.00     0.01  -0.01  -0.00
    40   6     0.00   0.00   0.00     0.01   0.01  -0.01     0.01  -0.02  -0.01
    41   7    -0.01  -0.02  -0.04    -0.04   0.03  -0.00    -0.02   0.02   0.00
    42   7     0.01  -0.01  -0.03     0.04   0.02   0.02    -0.02  -0.01  -0.01
    43   7    -0.00  -0.01  -0.01    -0.03  -0.01   0.01    -0.01  -0.00   0.00
    44   6    -0.03   0.01   0.06     0.08   0.00   0.03    -0.09  -0.02  -0.04
    45   6     0.01  -0.00  -0.01     0.01  -0.05   0.01    -0.04   0.05  -0.03
    46   6     0.00  -0.00  -0.01    -0.02   0.05  -0.02    -0.01  -0.07   0.01
    47   6    -0.03   0.01   0.06     0.07   0.06   0.02    -0.09  -0.05  -0.02
    48   6     0.03   0.02   0.08    -0.04   0.07  -0.01    -0.06   0.07  -0.01
    49   6    -0.01  -0.01  -0.02     0.03   0.03  -0.02     0.02   0.06  -0.02
    50   6    -0.01  -0.00  -0.02    -0.03  -0.04   0.02    -0.05  -0.03   0.02
    51   6     0.03   0.03   0.08    -0.08   0.03   0.01    -0.08   0.05   0.01
    52   6    -0.01   0.01   0.01    -0.05  -0.00   0.01    -0.02  -0.01   0.00
    53   6    -0.00   0.00  -0.01    -0.01   0.02  -0.02    -0.01   0.01  -0.01
    54   6     0.00  -0.00  -0.00     0.02  -0.02   0.02     0.00  -0.01   0.01
    55   6    -0.00   0.01   0.02    -0.04  -0.03   0.02    -0.02  -0.01   0.01
    56   6     0.00  -0.00  -0.01    -0.12   0.02  -0.06     0.09  -0.05   0.04
    57   6     0.02  -0.01  -0.04    -0.10   0.03  -0.05     0.14  -0.05   0.06
    58   6     0.00   0.00  -0.01     0.01  -0.10   0.02    -0.01   0.14  -0.03
    59   6     0.01  -0.01  -0.03     0.11   0.08   0.03    -0.11  -0.06  -0.04
    60   6     0.01  -0.01  -0.03     0.13   0.01   0.06    -0.12  -0.03  -0.05
    61   6     0.00  -0.00  -0.01    -0.04   0.09  -0.03     0.06  -0.11   0.05
    62   6     0.02  -0.01  -0.04    -0.06  -0.09  -0.01     0.07   0.14   0.01
    63   6     0.01  -0.00  -0.01    -0.09  -0.10  -0.02     0.05   0.10   0.01
    64   6    -0.01   0.01  -0.01     0.05  -0.11   0.02     0.01  -0.10   0.03
    65   6    -0.01  -0.01  -0.05     0.02  -0.10   0.02     0.02  -0.14   0.03
    66   6    -0.01  -0.01  -0.01     0.06   0.05  -0.03     0.09   0.07  -0.05
    67   6    -0.00  -0.02  -0.04    -0.12   0.05   0.01    -0.10   0.07   0.00
    68   6    -0.01  -0.02  -0.04    -0.07   0.10  -0.02    -0.08   0.09  -0.01
    69   6    -0.00   0.00  -0.02    -0.04  -0.07   0.03    -0.05  -0.10   0.05
    70   6    -0.02  -0.02  -0.05     0.10  -0.01  -0.03     0.14  -0.00  -0.03
    71   6    -0.01  -0.00  -0.01     0.12  -0.03  -0.02     0.10   0.01  -0.02
    72   6     0.01  -0.00  -0.00     0.08  -0.00  -0.00     0.02  -0.01   0.00
    73   6     0.01  -0.01  -0.01     0.06  -0.01   0.01     0.03  -0.01   0.00
    74   6    -0.00   0.00  -0.01    -0.02   0.04  -0.03    -0.01   0.02  -0.02
    75   6    -0.01  -0.01  -0.00    -0.06  -0.04   0.04    -0.02  -0.01   0.01
    76   6    -0.01  -0.01  -0.01    -0.08  -0.01   0.01    -0.03  -0.01   0.01
    77   6     0.00  -0.01   0.00     0.03  -0.04   0.03     0.02  -0.02   0.02
    78   6     0.00  -0.00  -0.01     0.03   0.04  -0.04     0.01   0.02  -0.02
    79   6     0.01   0.00  -0.01     0.04   0.04  -0.04     0.01   0.02  -0.02
    80   8     0.01   0.00  -0.00    -0.03  -0.00   0.01    -0.02  -0.00   0.01
    81  15     0.01  -0.01   0.00    -0.02   0.02  -0.01    -0.01   0.01  -0.01
    82   8    -0.01   0.01  -0.00     0.05  -0.02   0.00     0.03  -0.01  -0.00
    83   8    -0.01   0.00   0.01     0.02  -0.01  -0.04     0.01  -0.00  -0.02
    84   6     0.00  -0.01  -0.01    -0.01   0.03   0.02    -0.00   0.02   0.01
    85   6    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.00   0.00   0.01
    86   6    -0.00   0.01  -0.01     0.00  -0.02   0.02     0.00  -0.01   0.01
    87   6    -0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    88   1     0.00  -0.02  -0.09     0.04   0.01  -0.04    -0.03  -0.01  -0.04
    89   1     0.00   0.01   0.04    -0.08   0.04   0.05     0.05   0.07   0.03
    90   1    -0.01  -0.00  -0.05     0.03  -0.07  -0.01    -0.01  -0.03  -0.02
    91   1     0.01  -0.00  -0.06    -0.05   0.02   0.01    -0.02   0.00  -0.05
    92   1     0.02   0.01  -0.04    -0.04  -0.04  -0.05     0.03   0.04  -0.01
    93   1    -0.01  -0.01   0.03     0.09  -0.02  -0.00     0.02  -0.07   0.02
    94   1    -0.01  -0.01  -0.02     0.00  -0.08   0.00    -0.02   0.03  -0.01
    95   1     0.00  -0.01  -0.01     0.05   0.02  -0.03    -0.00  -0.01   0.00
    96   1     0.01   0.02   0.02    -0.00   0.05   0.02    -0.01  -0.01   0.02
    97   1    -0.01  -0.03   0.03    -0.02  -0.02  -0.03     0.11  -0.02   0.07
    98   1    -0.00   0.01  -0.02    -0.07  -0.02  -0.04    -0.00  -0.04  -0.03
    99   1     0.01   0.01  -0.01    -0.07  -0.04  -0.01    -0.04   0.02   0.00
   100   1     0.00  -0.02   0.03    -0.04   0.01  -0.01     0.07   0.03   0.10
   101   1    -0.01  -0.02   0.04     0.02  -0.04  -0.01     0.10  -0.04  -0.00
   102   1     0.01   0.01  -0.02     0.06  -0.05  -0.01     0.01   0.04   0.02
   103   1    -0.00   0.02  -0.02     0.05  -0.05   0.01    -0.04  -0.01  -0.01
   104   1    -0.02  -0.01   0.04     0.03  -0.01   0.01     0.06  -0.08  -0.03
   105   1     0.00  -0.00   0.00     0.01  -0.00  -0.03     0.02   0.01  -0.01
   106   1     0.00   0.00  -0.01     0.04   0.02  -0.02    -0.01   0.01   0.01
   107   1     0.00   0.00  -0.00     0.04   0.01  -0.01    -0.00  -0.01   0.00
   108   1     0.00   0.00   0.00     0.01   0.02  -0.02     0.02   0.00  -0.02
   109   1    -0.08   0.03   0.17    -0.10  -0.02  -0.04     0.02   0.04   0.04
   110   1    -0.10   0.04   0.22    -0.02   0.20  -0.05     0.04  -0.21   0.11
   111   1    -0.09   0.04   0.20    -0.01  -0.10   0.02    -0.05   0.14  -0.02
   112   1    -0.04   0.02   0.08     0.03   0.21  -0.02    -0.02  -0.21   0.03
   113   1    -0.04   0.02   0.08     0.13  -0.14   0.08    -0.12   0.15  -0.09
   114   1    -0.09   0.04   0.20    -0.05   0.07  -0.05     0.05  -0.13   0.02
   115   1    -0.10   0.04   0.22     0.09  -0.17   0.07    -0.06   0.21  -0.10
   116   1    -0.07   0.04   0.17    -0.09  -0.06  -0.03     0.07   0.01   0.00
   117   1     0.05   0.09   0.23     0.07  -0.07   0.02     0.05  -0.02   0.02
   118   1     0.09   0.11   0.31    -0.13  -0.10   0.08    -0.13  -0.13   0.11
   119   1     0.07   0.09   0.28     0.08   0.04  -0.03     0.08   0.09  -0.03
   120   1     0.04   0.04   0.11    -0.17  -0.07   0.06    -0.16  -0.07   0.07
   121   1     0.03   0.03   0.12     0.04   0.18  -0.06     0.05   0.17  -0.07
   122   1     0.08   0.10   0.27    -0.02  -0.07   0.05    -0.08  -0.10   0.03
   123   1     0.07   0.09   0.31     0.09   0.15  -0.05     0.12   0.14  -0.12
   124   1     0.06   0.08   0.23     0.09  -0.05   0.01     0.02  -0.05  -0.02
   125   1     0.01   0.03   0.03     0.06   0.01  -0.01     0.01   0.01  -0.00
   126   1     0.01   0.03   0.05     0.03  -0.08   0.07     0.02  -0.03   0.04
   127   1     0.00   0.04   0.04    -0.00   0.04  -0.04    -0.01   0.02  -0.01
   128   1     0.00   0.00   0.03     0.00  -0.09   0.08     0.00  -0.03   0.03
   129   1    -0.01   0.02   0.01    -0.09   0.06  -0.04    -0.03   0.02  -0.02
   130   1     0.01   0.04   0.05     0.04  -0.03   0.03     0.01  -0.02   0.01
   131   1    -0.01   0.05   0.05    -0.07   0.07  -0.06    -0.03   0.03  -0.04
   132   1     0.01   0.04   0.03     0.05   0.02  -0.03     0.01  -0.00  -0.01
   133   1     0.01  -0.01  -0.00    -0.05   0.03   0.01    -0.03   0.01   0.00
   134   1     0.00   0.01  -0.00    -0.01  -0.02   0.00    -0.00  -0.02   0.00
   135   1    -0.02   0.01  -0.01     0.08  -0.05   0.05     0.05  -0.03   0.03
   136   1     0.01   0.00   0.02    -0.04  -0.01  -0.06    -0.03  -0.00  -0.03
   137   1     0.00   0.01   0.01    -0.01  -0.03  -0.03    -0.00  -0.02  -0.02
   138   1     0.00   0.00  -0.01    -0.02   0.00   0.03    -0.01   0.00   0.02
   139   1     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.01   0.00   0.00
   140   1     0.00  -0.01   0.00    -0.01   0.03  -0.01    -0.01   0.02  -0.00
   141   1    -0.01   0.01   0.02     0.02  -0.04  -0.07     0.01  -0.03  -0.05
   142   1     0.00  -0.01  -0.00    -0.01   0.04   0.01    -0.01   0.03   0.01
   143  17     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
                    157                    158                    159
                      A                      A                      A
 Frequencies --    782.0596               788.3572               788.4237
 Red. masses --      6.0210                 2.8294                 2.8270
 Frc consts  --      2.1697                 1.0361                 1.0354
 IR Inten    --      1.2506                 2.5627                 1.9040
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.05   0.02   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6    -0.03   0.01  -0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.02   0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.01   0.03   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6     0.00  -0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.00  -0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.05  -0.02   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   6     0.01   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   6     0.01  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   7    -0.02  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   6    -0.04   0.02  -0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    17   6     0.03  -0.03   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   7     0.06  -0.06   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6     0.00   0.13  -0.06     0.00   0.00  -0.00     0.00   0.00  -0.00
    20   6     0.03   0.03  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   6    -0.01  -0.01   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   6     0.01  -0.05   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    23   6     0.03  -0.03   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   6    -0.01  -0.01   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    25   6    -0.09  -0.03   0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   6     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    27   6     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
    28   6     0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    29   6    -0.01   0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   6    -0.01   0.01   0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    31   6    -0.04  -0.04  -0.04     0.00   0.00   0.00     0.00   0.00  -0.00
    32   6    -0.03  -0.04  -0.03     0.00   0.00   0.00     0.00   0.00  -0.00
    33   6    -0.03   0.03  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    34   6     0.03   0.04   0.04    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    35   6     0.03   0.04   0.03    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    36   6    -0.02   0.15   0.03     0.00   0.00   0.00    -0.00   0.00   0.00
    37   6    -0.03   0.14   0.04     0.00   0.00   0.01    -0.00   0.00   0.00
    38   6     0.08   0.03  -0.04     0.00   0.00  -0.00     0.00   0.00  -0.00
    39   6     0.04  -0.14  -0.04    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    40   6     0.05  -0.14  -0.05     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    41   7     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    42   7    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    43   7    -0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    44   6    -0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.04  -0.02  -0.08
    45   6    -0.01   0.01  -0.00    -0.00   0.00   0.01    -0.07   0.03   0.15
    46   6    -0.00  -0.01   0.00     0.00  -0.00  -0.01     0.07  -0.02  -0.15
    47   6    -0.01  -0.01  -0.00    -0.00   0.00   0.01    -0.04   0.02   0.08
    48   6     0.03  -0.03   0.00    -0.00  -0.00  -0.00     0.02   0.03   0.08
    49   6    -0.00  -0.03   0.01     0.00   0.00   0.01    -0.04  -0.04  -0.14
    50   6     0.03   0.01  -0.01    -0.00  -0.00  -0.01     0.03   0.05   0.14
    51   6     0.04  -0.03  -0.00     0.00   0.00   0.00    -0.02  -0.03  -0.08
    52   6    -0.11  -0.03   0.03    -0.01  -0.09  -0.09    -0.00   0.00   0.00
    53   6    -0.08   0.03  -0.03     0.01   0.15   0.17    -0.00  -0.00  -0.00
    54   6    -0.01  -0.06   0.06    -0.01  -0.15  -0.17     0.00   0.00   0.00
    55   6    -0.09  -0.04   0.05     0.00   0.08   0.09    -0.00  -0.00  -0.00
    56   6     0.01  -0.01   0.00    -0.00   0.00   0.00    -0.02   0.01   0.03
    57   6     0.02  -0.01   0.01     0.00  -0.00  -0.00     0.01  -0.01  -0.03
    58   6    -0.00   0.02  -0.00    -0.00   0.00   0.00    -0.03   0.01   0.07
    59   6    -0.01  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    60   6    -0.01  -0.01  -0.00     0.00   0.00   0.00     0.00  -0.00   0.01
    61   6     0.01  -0.02   0.01     0.00  -0.00  -0.00     0.03  -0.01  -0.07
    62   6     0.01   0.02   0.00    -0.00  -0.00   0.00    -0.01   0.00   0.03
    63   6     0.00   0.01  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.03
    64   6     0.01   0.04  -0.01    -0.00   0.00   0.00    -0.01  -0.01  -0.03
    65   6    -0.01   0.07  -0.02    -0.00  -0.00  -0.00     0.01   0.01   0.03
    66   6    -0.05  -0.04   0.03     0.00   0.00   0.00    -0.02  -0.02  -0.07
    67   6     0.04  -0.03   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    68   6     0.04  -0.04   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    69   6     0.03   0.05  -0.03    -0.00  -0.00  -0.00     0.02   0.02   0.07
    70   6    -0.07   0.00   0.02     0.00   0.00   0.00    -0.01  -0.01  -0.03
    71   6    -0.04  -0.01   0.01     0.00   0.00  -0.00     0.01   0.01   0.03
    72   6     0.09  -0.05   0.03    -0.00   0.03   0.04     0.00  -0.00  -0.00
    73   6     0.18  -0.05   0.02    -0.00  -0.03  -0.03     0.00   0.00   0.00
    74   6    -0.04   0.12  -0.11     0.00   0.07   0.07    -0.00  -0.00  -0.00
    75   6    -0.12  -0.04   0.05    -0.00   0.00  -0.01    -0.00  -0.00   0.00
    76   6    -0.12  -0.04   0.04     0.00   0.00   0.01    -0.00  -0.00   0.00
    77   6     0.11  -0.10   0.09    -0.00  -0.07  -0.08     0.00   0.00   0.00
    78   6     0.07   0.13  -0.12     0.00   0.03   0.03     0.00   0.00  -0.00
    79   6     0.00   0.08  -0.07    -0.01  -0.03  -0.04    -0.00   0.00   0.00
    80   8    -0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    81  15    -0.01   0.02  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    82   8     0.02  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    83   8     0.01   0.00  -0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    84   6    -0.00   0.01   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    85   6     0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    86   6    -0.00  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    87   6     0.00  -0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    88   1    -0.06   0.07   0.06     0.00  -0.00   0.00     0.00  -0.00   0.00
    89   1    -0.02   0.00  -0.05     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    90   1    -0.01   0.03  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    91   1     0.02   0.02  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    92   1    -0.01   0.01  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    93   1     0.01  -0.02  -0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    94   1     0.01   0.15  -0.03     0.00   0.00  -0.00     0.00   0.00  -0.00
    95   1     0.01   0.00   0.02     0.00   0.00   0.00     0.00  -0.00  -0.00
    96   1     0.01  -0.05   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    97   1     0.02   0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.01   0.01
    98   1    -0.01  -0.01  -0.01     0.00  -0.00   0.00     0.00  -0.02   0.02
    99   1    -0.02   0.00  -0.00     0.00   0.00  -0.00     0.00   0.02  -0.02
   100   1     0.01   0.02  -0.00    -0.00   0.00  -0.00     0.00   0.01  -0.01
   101   1    -0.06   0.03  -0.04     0.00   0.00  -0.00    -0.00  -0.01   0.01
   102   1     0.03  -0.06  -0.01    -0.00   0.00  -0.00    -0.01  -0.01   0.02
   103   1     0.06  -0.01   0.01    -0.00   0.00   0.00     0.01   0.01  -0.02
   104   1    -0.02   0.08  -0.02     0.00  -0.00  -0.00     0.01   0.00  -0.01
   105   1     0.12   0.13  -0.05    -0.01   0.01  -0.02     0.00   0.00  -0.00
   106   1    -0.13   0.03   0.06    -0.02   0.01  -0.03    -0.00  -0.00   0.00
   107   1    -0.10  -0.11   0.03     0.02  -0.01   0.03    -0.00  -0.00  -0.00
   108   1     0.15  -0.03  -0.09     0.01  -0.00   0.02     0.00  -0.00  -0.00
   109   1     0.00   0.00   0.00    -0.00   0.00   0.01    -0.06   0.02   0.12
   110   1     0.01  -0.02   0.01     0.00  -0.00  -0.01     0.06  -0.02  -0.13
   111   1    -0.01   0.02  -0.00     0.01  -0.00  -0.01     0.09  -0.04  -0.21
   112   1    -0.00  -0.02   0.00     0.01  -0.00  -0.02     0.15  -0.06  -0.31
   113   1    -0.01   0.02  -0.01    -0.01   0.00   0.02    -0.14   0.06   0.31
   114   1     0.00  -0.02   0.00    -0.01   0.00   0.01    -0.10   0.04   0.21
   115   1    -0.00   0.03  -0.01    -0.00   0.00   0.01    -0.06   0.02   0.13
   116   1     0.00  -0.01  -0.00     0.00  -0.00  -0.01     0.05  -0.02  -0.13
   117   1    -0.02  -0.02  -0.01     0.00   0.00   0.01    -0.03  -0.04  -0.12
   118   1     0.05   0.07  -0.06    -0.00  -0.00  -0.00     0.03   0.04   0.13
   119   1    -0.04  -0.06   0.02    -0.00  -0.00  -0.01     0.06   0.07   0.20
   120   1     0.07   0.04  -0.03    -0.01  -0.01  -0.01     0.08   0.10   0.30
   121   1    -0.03  -0.08   0.03     0.00   0.01   0.01    -0.08  -0.10  -0.30
   122   1     0.05   0.05  -0.01     0.00   0.00   0.01    -0.05  -0.07  -0.20
   123   1    -0.06  -0.06   0.06     0.00   0.00   0.00    -0.03  -0.04  -0.13
   124   1     0.00   0.02   0.01    -0.00  -0.00  -0.01     0.03   0.04   0.12
   125   1     0.00   0.06  -0.00     0.00   0.13   0.15    -0.00  -0.00  -0.00
   126   1     0.13  -0.14   0.19    -0.01  -0.13  -0.14     0.00   0.00   0.00
   127   1    -0.09   0.14  -0.07    -0.02  -0.21  -0.24    -0.00   0.00   0.00
   128   1     0.03  -0.16   0.15    -0.02  -0.33  -0.35     0.00   0.00   0.00
   129   1    -0.16   0.11  -0.10     0.02   0.33   0.35    -0.00  -0.00  -0.00
   130   1     0.06  -0.15   0.08     0.01   0.21   0.24     0.00  -0.00  -0.00
   131   1    -0.11   0.14  -0.20     0.01   0.14   0.15    -0.00  -0.00  -0.00
   132   1     0.03  -0.05  -0.01    -0.01  -0.13  -0.14     0.00   0.00   0.00
   133   1    -0.02   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   134   1    -0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   135   1     0.04  -0.02   0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   136   1    -0.02  -0.00  -0.03     0.00   0.00   0.00     0.00   0.00   0.00
   137   1    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
   138   1    -0.00  -0.00   0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   139   1    -0.01   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
   140   1    -0.01   0.02   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   141   1     0.01  -0.03  -0.05    -0.00   0.00   0.00    -0.00   0.00   0.00
   142   1    -0.00   0.02   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   143  17     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                    160                    161                    162
                      A                      A                      A
 Frequencies --    788.4725               789.9686               801.4096
 Red. masses --      2.8238                 6.1265                 4.9011
 Frc consts  --      1.0343                 2.2526                 1.8546
 IR Inten    --      3.3975                43.1415                19.9396
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.02  -0.03  -0.03     0.01  -0.02   0.01
     2   6    -0.00   0.00  -0.00     0.03  -0.07   0.02    -0.08  -0.04  -0.00
     3   6    -0.00   0.00   0.00    -0.01  -0.10  -0.03    -0.05  -0.03   0.07
     4   6     0.00  -0.00  -0.00    -0.06   0.04   0.05     0.01   0.03  -0.06
     5   6    -0.00   0.00   0.00     0.04   0.00  -0.01     0.10   0.10  -0.00
     6   6    -0.00  -0.00  -0.00     0.06   0.02   0.02     0.02   0.07  -0.02
     7   6    -0.00   0.00  -0.00     0.03  -0.08   0.01    -0.05  -0.08  -0.04
     8   6    -0.00  -0.00  -0.00     0.03   0.03   0.02     0.06   0.01   0.03
     9   6    -0.00  -0.00   0.00    -0.04   0.12  -0.08     0.15  -0.10   0.05
    10   6     0.00  -0.00  -0.00    -0.07   0.07  -0.00     0.04  -0.07   0.00
    11   6    -0.00   0.00   0.00     0.05  -0.06   0.01    -0.10  -0.07  -0.05
    12   6     0.00   0.00  -0.00    -0.02  -0.01  -0.02    -0.05  -0.04  -0.01
    13   6     0.00  -0.00   0.00    -0.05   0.03  -0.01    -0.02   0.06  -0.00
    14   6     0.00  -0.00   0.00    -0.07   0.07  -0.02    -0.02   0.06  -0.01
    15   7     0.00  -0.00   0.00    -0.04   0.13  -0.06     0.13  -0.09   0.03
    16   6     0.00  -0.00   0.00    -0.03   0.01  -0.01     0.01   0.03  -0.02
    17   6    -0.00   0.00  -0.00     0.03  -0.03   0.02    -0.02  -0.02   0.01
    18   7     0.00   0.00  -0.00    -0.00  -0.13   0.05     0.03  -0.02   0.02
    19   6    -0.00  -0.00   0.00     0.01   0.05  -0.03    -0.06   0.10  -0.05
    20   6    -0.00  -0.00   0.00     0.03   0.01  -0.01    -0.06   0.03  -0.01
    21   6    -0.00   0.00   0.00     0.02  -0.00  -0.01     0.00  -0.00   0.02
    22   6     0.00   0.00  -0.00     0.03  -0.01  -0.00    -0.03  -0.07   0.03
    23   6     0.00  -0.00   0.00    -0.05   0.04  -0.00    -0.01   0.01   0.00
    24   6    -0.00  -0.00  -0.00     0.04   0.01   0.03     0.04   0.03  -0.00
    25   6     0.00   0.00  -0.00    -0.03  -0.01   0.01     0.00   0.00  -0.00
    26   6     0.00   0.00  -0.00    -0.04   0.06   0.05    -0.04   0.08   0.06
    27   6     0.00   0.00  -0.01    -0.03   0.06   0.06    -0.02   0.10   0.06
    28   6     0.00   0.00   0.00    -0.05  -0.01  -0.03    -0.06  -0.05   0.00
    29   6    -0.00  -0.00   0.01     0.05  -0.06  -0.04     0.08  -0.05  -0.06
    30   6    -0.00   0.00   0.00     0.04  -0.06  -0.05     0.06  -0.05  -0.05
    31   6    -0.00  -0.00   0.00     0.07   0.08   0.07     0.02   0.03   0.01
    32   6    -0.00  -0.00   0.01     0.05   0.10   0.06     0.01   0.03   0.02
    33   6     0.00  -0.00   0.00     0.06  -0.05   0.00     0.02  -0.02  -0.00
    34   6     0.00   0.00  -0.01    -0.08  -0.07  -0.07    -0.03  -0.02  -0.02
    35   6     0.00   0.00  -0.00    -0.06  -0.08  -0.06    -0.02  -0.02  -0.02
    36   6     0.00  -0.00  -0.00    -0.01   0.06   0.02    -0.00  -0.00  -0.01
    37   6     0.00  -0.00  -0.00    -0.02   0.05   0.02     0.00  -0.00  -0.01
    38   6    -0.00  -0.00   0.00     0.04   0.01  -0.01     0.00  -0.00   0.01
    39   6    -0.00   0.00   0.00     0.01  -0.06  -0.01     0.00   0.00  -0.00
    40   6    -0.00   0.00   0.00     0.01  -0.06  -0.02     0.00   0.00   0.00
    41   7     0.00  -0.00   0.00     0.01  -0.01   0.00     0.01  -0.01   0.00
    42   7     0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.01  -0.02  -0.01
    43   7    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
    44   6     0.03  -0.02  -0.08     0.03   0.01   0.02     0.02   0.01   0.01
    45   6    -0.06   0.02   0.14     0.03  -0.01   0.01     0.03  -0.01   0.02
    46   6     0.06  -0.02  -0.14     0.02   0.04   0.00     0.01   0.02  -0.00
    47   6    -0.04   0.02   0.08     0.04   0.02   0.01     0.02   0.01   0.01
    48   6    -0.02  -0.03  -0.08    -0.04   0.03  -0.01    -0.01   0.01  -0.00
    49   6     0.04   0.05   0.15    -0.00   0.05  -0.01    -0.00   0.01  -0.00
    50   6    -0.04  -0.05  -0.15    -0.05  -0.00   0.01    -0.01   0.00   0.00
    51   6     0.02   0.03   0.08    -0.04   0.03   0.01    -0.01   0.01   0.00
    52   6     0.00   0.00   0.00    -0.02  -0.00   0.01    -0.00  -0.00  -0.00
    53   6    -0.00  -0.01  -0.01    -0.02  -0.00  -0.01     0.00   0.00   0.00
    54   6     0.00   0.01   0.01    -0.01  -0.01   0.02    -0.00  -0.00  -0.00
    55   6     0.00  -0.00  -0.01    -0.02  -0.01   0.01    -0.00   0.00   0.00
    56   6    -0.02   0.00   0.03    -0.01   0.03  -0.01    -0.01   0.02  -0.00
    57   6     0.01  -0.01  -0.03    -0.06   0.03  -0.03    -0.05   0.02  -0.02
    58   6    -0.03   0.02   0.06     0.00  -0.07   0.01    -0.00  -0.04   0.01
    59   6     0.00   0.00  -0.00     0.04   0.01   0.02     0.03   0.01   0.01
    60   6     0.00  -0.00   0.00     0.04   0.02   0.01     0.02   0.02   0.01
    61   6     0.03  -0.01  -0.06    -0.03   0.05  -0.02    -0.03   0.05  -0.02
    62   6    -0.01   0.01   0.03    -0.03  -0.06  -0.01    -0.03  -0.06  -0.01
    63   6     0.01  -0.01  -0.03     0.00  -0.03   0.01     0.02  -0.02   0.01
    64   6     0.01   0.01   0.03    -0.02  -0.04   0.02    -0.01  -0.00   0.00
    65   6    -0.01  -0.01  -0.03     0.01  -0.10   0.02     0.00  -0.02   0.01
    66   6     0.02   0.02   0.07     0.07   0.05  -0.03     0.02   0.01  -0.01
    67   6     0.00  -0.00  -0.00    -0.04   0.04  -0.00    -0.01   0.01  -0.00
    68   6     0.00  -0.00   0.00    -0.05   0.03   0.00    -0.01   0.01   0.00
    69   6    -0.02  -0.03  -0.07    -0.03  -0.07   0.03    -0.01  -0.02   0.01
    70   6     0.01   0.01   0.03     0.10   0.00  -0.02     0.02   0.00  -0.00
    71   6    -0.01  -0.01  -0.03     0.03   0.03  -0.02     0.00   0.01  -0.00
    72   6    -0.00  -0.00  -0.00     0.01  -0.02   0.01    -0.00  -0.00   0.00
    73   6    -0.00   0.00   0.00     0.05  -0.01   0.01     0.00  -0.00  -0.00
    74   6    -0.00  -0.00  -0.00    -0.01   0.03  -0.03    -0.00   0.00  -0.00
    75   6     0.00   0.00   0.00    -0.03  -0.01   0.01    -0.00   0.00  -0.00
    76   6     0.00   0.00  -0.00    -0.02  -0.01   0.01    -0.00  -0.00   0.00
    77   6    -0.00   0.00   0.00     0.03  -0.02   0.02     0.00  -0.00  -0.00
    78   6    -0.00  -0.00  -0.00     0.02   0.03  -0.03     0.00   0.00  -0.00
    79   6     0.00   0.00   0.00    -0.01   0.02  -0.01     0.00   0.00  -0.00
    80   8    -0.00  -0.00   0.00     0.04   0.02  -0.03    -0.03  -0.02   0.03
    81  15    -0.00   0.00  -0.00     0.06  -0.09   0.05    -0.07   0.05  -0.07
    82   8     0.00  -0.00   0.00    -0.10   0.04   0.00     0.11  -0.05  -0.01
    83   8     0.00  -0.00  -0.00    -0.04   0.01   0.07     0.02  -0.00  -0.01
    84   6    -0.00   0.00   0.00     0.02  -0.06  -0.04    -0.02   0.09   0.05
    85   6     0.00   0.00   0.00    -0.01  -0.02  -0.03     0.02   0.03   0.04
    86   6     0.00   0.00  -0.00    -0.01   0.04  -0.04     0.01  -0.01   0.01
    87   6     0.00  -0.00  -0.00    -0.01   0.03   0.00     0.01  -0.01  -0.00
    88   1    -0.00   0.00  -0.00     0.03  -0.05   0.09    -0.11   0.00  -0.13
    89   1    -0.00   0.00   0.00     0.08  -0.14  -0.08     0.10   0.12   0.05
    90   1    -0.00  -0.00   0.00     0.05   0.02  -0.02    -0.10   0.10  -0.01
    91   1    -0.00   0.00   0.00     0.10  -0.01   0.02    -0.14  -0.09   0.01
    92   1     0.00  -0.00  -0.00    -0.01   0.03   0.02     0.03   0.05   0.07
    93   1     0.00  -0.00  -0.00    -0.10   0.04  -0.02    -0.10  -0.04   0.01
    94   1    -0.00  -0.00   0.00     0.05   0.04  -0.02    -0.09   0.16   0.08
    95   1    -0.00   0.00   0.00     0.01  -0.00   0.01    -0.11  -0.02   0.11
    96   1     0.00   0.00  -0.00     0.02  -0.02  -0.02    -0.07  -0.06   0.05
    97   1     0.00  -0.01   0.01    -0.08   0.04  -0.03    -0.08  -0.03   0.09
    98   1     0.00  -0.02   0.02     0.06   0.07   0.05     0.11   0.06   0.10
    99   1    -0.00   0.02  -0.02     0.11   0.02   0.00     0.14  -0.02   0.05
   100   1     0.00   0.01  -0.01    -0.03  -0.03  -0.09    -0.04  -0.15   0.05
   101   1     0.01   0.01  -0.01     0.12  -0.00   0.03     0.02  -0.00   0.02
   102   1     0.01   0.01  -0.02    -0.08   0.14   0.02    -0.03   0.03   0.02
   103   1    -0.01  -0.01   0.02    -0.14   0.05  -0.03    -0.04   0.02  -0.02
   104   1    -0.01  -0.01   0.01     0.04  -0.12  -0.02     0.01  -0.02  -0.03
   105   1     0.00  -0.00   0.00     0.03   0.05  -0.01     0.02  -0.01   0.04
   106   1     0.00  -0.00   0.00    -0.07   0.00   0.03     0.02  -0.00   0.02
   107   1    -0.00   0.00  -0.00    -0.05  -0.05   0.02    -0.00   0.00  -0.01
   108   1    -0.00   0.00  -0.00     0.05  -0.02  -0.02    -0.00  -0.00  -0.00
   109   1    -0.06   0.02   0.11     0.03  -0.02  -0.00     0.02  -0.02  -0.00
   110   1     0.06  -0.03  -0.12    -0.03   0.08  -0.05    -0.02   0.05  -0.05
   111   1     0.09  -0.04  -0.20     0.04  -0.06   0.02     0.03  -0.04   0.01
   112   1     0.14  -0.06  -0.30    -0.00   0.07  -0.00    -0.00   0.05  -0.00
   113   1    -0.14   0.06   0.29     0.04  -0.06   0.02     0.02  -0.04   0.01
   114   1    -0.09   0.03   0.20    -0.01   0.07  -0.01    -0.00   0.07  -0.01
   115   1    -0.06   0.03   0.12     0.01  -0.08   0.04    -0.01  -0.07   0.03
   116   1     0.05  -0.02  -0.12    -0.01   0.03   0.01     0.01   0.05   0.01
   117   1     0.03   0.04   0.13     0.02   0.05   0.01     0.00   0.02   0.00
   118   1    -0.04  -0.04  -0.13    -0.06  -0.09   0.07    -0.01  -0.02   0.02
   119   1    -0.06  -0.07  -0.22     0.04   0.08  -0.03     0.01   0.02  -0.01
   120   1    -0.09  -0.11  -0.32    -0.08  -0.05   0.01    -0.02  -0.01   0.00
   121   1     0.09   0.11   0.32     0.04   0.09  -0.01     0.01   0.02  -0.00
   122   1     0.05   0.08   0.22    -0.07  -0.05   0.03    -0.02  -0.01   0.01
   123   1     0.03   0.05   0.14     0.08   0.07  -0.07     0.02   0.01  -0.02
   124   1    -0.04  -0.04  -0.13    -0.04  -0.02  -0.02    -0.02  -0.00  -0.00
   125   1    -0.00  -0.01  -0.01    -0.01   0.01  -0.01    -0.00   0.00   0.00
   126   1     0.00   0.01   0.01     0.04  -0.02   0.05     0.00  -0.00  -0.00
   127   1     0.00   0.01   0.01    -0.03   0.04  -0.01    -0.00  -0.00  -0.00
   128   1     0.00   0.02   0.02     0.01  -0.02   0.05     0.00  -0.00  -0.00
   129   1    -0.00  -0.02  -0.02    -0.03   0.01  -0.04    -0.00   0.00   0.00
   130   1    -0.00  -0.01  -0.01     0.01  -0.05   0.01     0.00   0.00   0.00
   131   1    -0.00  -0.01  -0.01    -0.02   0.03  -0.06    -0.00   0.00   0.00
   132   1     0.00   0.01   0.01     0.00  -0.02   0.01     0.00  -0.00  -0.00
   133   1    -0.00   0.00   0.00     0.16  -0.06  -0.02    -0.27   0.09   0.01
   134   1     0.00  -0.00   0.00    -0.01   0.08  -0.02     0.04  -0.15   0.06
   135   1     0.00  -0.00   0.00    -0.18   0.12  -0.13     0.21  -0.17   0.18
   136   1    -0.00  -0.00  -0.00     0.12   0.01   0.14    -0.21  -0.01  -0.19
   137   1     0.00  -0.00  -0.00     0.00   0.09   0.04     0.04  -0.16  -0.00
   138   1    -0.00   0.00   0.00     0.05  -0.01  -0.09    -0.05   0.01   0.06
   139   1    -0.00   0.00  -0.00     0.03  -0.01   0.01    -0.02  -0.01  -0.05
   140   1    -0.00  -0.00  -0.00     0.03  -0.06   0.04    -0.01  -0.01  -0.05
   141   1    -0.00  -0.00  -0.00    -0.04   0.10   0.18    -0.01  -0.03  -0.05
   142   1    -0.00   0.00   0.00     0.03  -0.11  -0.04    -0.03   0.04   0.03
   143  17    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.01   0.00   0.00
                    163                    164                    165
                      A                      A                      A
 Frequencies --    806.0719               807.0600               818.4446
 Red. masses --      3.2404                 3.0283                 1.1553
 Frc consts  --      1.2405                 1.1621                 0.4560
 IR Inten    --     12.2452                14.7356                 2.5029
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.04    -0.00  -0.02  -0.05    -0.00   0.00   0.00
     2   6     0.01  -0.00   0.01    -0.01  -0.02   0.01    -0.00   0.00  -0.00
     3   6     0.01  -0.00  -0.11    -0.00  -0.02  -0.12    -0.00   0.00   0.00
     4   6     0.00   0.01   0.10     0.00   0.02   0.11     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.02   0.03  -0.00     0.00   0.01  -0.00
     6   6     0.00   0.00   0.05     0.01   0.02   0.06    -0.00   0.00  -0.00
     7   6    -0.03   0.00   0.11    -0.05  -0.02   0.13    -0.00  -0.00  -0.00
     8   6     0.03   0.01  -0.11     0.06   0.02  -0.12     0.00  -0.00   0.00
     9   6    -0.04   0.02   0.05    -0.00   0.00   0.10     0.01  -0.01   0.00
    10   6    -0.02  -0.04  -0.09    -0.01  -0.07  -0.12     0.00  -0.01   0.00
    11   6     0.01   0.01  -0.00    -0.00  -0.01  -0.01    -0.01  -0.00  -0.00
    12   6     0.00  -0.00   0.03    -0.03  -0.02   0.05    -0.00  -0.00  -0.00
    13   6     0.02   0.00  -0.04     0.02   0.03  -0.07    -0.00   0.00   0.00
    14   6     0.00  -0.01   0.03    -0.00   0.01   0.00     0.00   0.00   0.00
    15   7    -0.03  -0.01   0.01    -0.01  -0.07   0.00     0.01  -0.00   0.00
    16   6     0.01   0.01   0.05     0.00  -0.01  -0.01     0.00   0.00   0.00
    17   6     0.00   0.00  -0.03     0.00   0.01  -0.03    -0.00  -0.00  -0.00
    18   7    -0.00   0.03   0.02     0.00   0.04   0.03     0.00   0.00   0.00
    19   6    -0.00  -0.05  -0.04     0.01   0.01   0.04    -0.01   0.00  -0.01
    20   6     0.00  -0.02  -0.02     0.01   0.01   0.03    -0.01  -0.00  -0.01
    21   6     0.01   0.01   0.03    -0.00  -0.01  -0.03     0.00   0.00   0.01
    22   6     0.01   0.03  -0.02     0.01   0.02  -0.01    -0.00  -0.00   0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   6    -0.00   0.00  -0.00     0.01   0.01  -0.01     0.00   0.00  -0.00
    25   6    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   6     0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.00   0.00   0.00
    27   6     0.00  -0.01  -0.01    -0.01   0.02   0.00    -0.00   0.00   0.00
    28   6     0.01   0.00   0.00    -0.01  -0.02   0.01    -0.00  -0.00   0.00
    29   6    -0.01   0.01   0.01     0.02  -0.01  -0.02     0.00  -0.00  -0.00
    30   6    -0.01   0.01   0.01     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    31   6    -0.00   0.00   0.00     0.00   0.01   0.01    -0.00  -0.00  -0.00
    32   6    -0.00   0.00   0.00    -0.00   0.01   0.01    -0.00  -0.00  -0.00
    33   6    -0.00   0.00  -0.00     0.01  -0.00  -0.01    -0.00   0.00  -0.00
    34   6     0.00  -0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    35   6     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    36   6     0.00   0.00  -0.00    -0.00   0.00   0.01     0.00  -0.00  -0.00
    37   6    -0.00   0.00  -0.01    -0.00  -0.00   0.01     0.00  -0.00  -0.00
    38   6     0.01  -0.00   0.02    -0.00   0.00  -0.01     0.00  -0.00   0.00
    39   6    -0.01  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    40   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    41   7    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    42   7     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    43   7     0.00  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    44   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    45   6    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    46   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    47   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    48   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    49   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    50   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    51   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    52   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    53   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    54   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    55   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    56   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    57   6     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    58   6     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    59   6    -0.00  -0.00  -0.00     0.01   0.00   0.00     0.00   0.00   0.00
    60   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
    61   6     0.00  -0.00   0.00    -0.01   0.01  -0.00    -0.00   0.00  -0.00
    62   6     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    63   6    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    64   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    65   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    66   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    67   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    68   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    69   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    70   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    71   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    72   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    73   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    74   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    75   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    76   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    77   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    78   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    79   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    80   8     0.02   0.01   0.00    -0.02  -0.01   0.00    -0.01  -0.00   0.00
    81  15    -0.02  -0.07  -0.09     0.00   0.06   0.05    -0.01  -0.00  -0.02
    82   8     0.07  -0.04  -0.02    -0.03   0.02   0.01     0.04  -0.00  -0.02
    83   8    -0.04  -0.01   0.16     0.03  -0.00  -0.11    -0.00  -0.00   0.01
    84   6    -0.02   0.08   0.05     0.01  -0.04  -0.03    -0.05  -0.03   0.04
    85   6     0.02   0.02   0.05    -0.02  -0.01  -0.03    -0.02  -0.02   0.03
    86   6     0.00   0.09  -0.09     0.00  -0.06   0.06     0.01   0.01  -0.00
    87   6    -0.01   0.07  -0.01     0.01  -0.05   0.00     0.01   0.00   0.00
    88   1     0.04  -0.01   0.23     0.01  -0.01   0.25    -0.01   0.00  -0.01
    89   1    -0.01  -0.03  -0.24     0.02  -0.01  -0.31     0.00   0.01   0.00
    90   1    -0.01  -0.02  -0.11    -0.04   0.01  -0.16    -0.01   0.00   0.00
    91   1     0.11   0.03  -0.22     0.11   0.01  -0.29    -0.01  -0.00  -0.00
    92   1    -0.02  -0.01   0.05    -0.05  -0.01   0.22     0.01   0.00  -0.01
    93   1    -0.05  -0.05   0.15    -0.15  -0.09   0.35    -0.00  -0.00  -0.01
    94   1     0.11   0.09   0.28    -0.08  -0.13  -0.26     0.01   0.03   0.06
    95   1     0.06   0.09   0.17    -0.03  -0.08  -0.17     0.00   0.02   0.05
    96   1     0.04   0.03  -0.01     0.04   0.04   0.03    -0.00  -0.00   0.00
    97   1     0.01  -0.01   0.00    -0.01  -0.04   0.06    -0.00  -0.00   0.00
    98   1    -0.01  -0.02  -0.01     0.01  -0.01   0.04     0.00   0.00   0.00
    99   1    -0.02  -0.00  -0.00     0.03  -0.01   0.02     0.01  -0.00   0.00
   100   1     0.01   0.01   0.01     0.00  -0.05   0.04    -0.00  -0.01   0.00
   101   1     0.01   0.01  -0.02     0.02   0.02  -0.02    -0.00  -0.00   0.00
   102   1     0.00   0.01  -0.01    -0.01   0.02  -0.01     0.00  -0.00   0.00
   103   1     0.00  -0.00  -0.00    -0.00   0.01  -0.01     0.00   0.00  -0.00
   104   1     0.01   0.00  -0.00     0.02  -0.00  -0.02     0.00   0.00  -0.00
   105   1     0.03  -0.01   0.06    -0.02   0.01  -0.04     0.01  -0.00   0.02
   106   1     0.02  -0.00   0.02    -0.02   0.00  -0.02     0.01  -0.00   0.01
   107   1     0.01  -0.01   0.04    -0.00   0.00  -0.01     0.00  -0.00   0.01
   108   1     0.03  -0.02   0.07    -0.01   0.01  -0.03     0.00  -0.00   0.01
   109   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   110   1     0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.00   0.00  -0.00
   111   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
   112   1    -0.00  -0.00   0.00     0.00   0.01   0.00    -0.00   0.00   0.00
   113   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
   114   1     0.00  -0.01  -0.00     0.00   0.02  -0.00     0.00   0.00  -0.00
   115   1     0.00   0.01  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
   116   1    -0.00  -0.00  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
   117   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
   118   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
   119   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
   120   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   121   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   122   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
   123   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   124   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
   125   1    -0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
   126   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   127   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   128   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
   129   1    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
   130   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
   131   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
   132   1     0.00   0.00  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
   133   1    -0.18   0.07   0.01     0.11  -0.04   0.00     0.47  -0.05   0.04
   134   1     0.01  -0.08   0.04    -0.01   0.04  -0.02    -0.25   0.38  -0.23
   135   1     0.21  -0.14   0.16    -0.10   0.07  -0.08     0.18   0.08  -0.02
   136   1    -0.13  -0.02  -0.14     0.07   0.01   0.07     0.43  -0.03   0.11
   137   1     0.02  -0.11  -0.02    -0.02   0.06  -0.00    -0.24   0.27  -0.33
   138   1     0.05  -0.02  -0.13    -0.05   0.02   0.11    -0.05   0.01   0.05
   139   1     0.04  -0.02  -0.03    -0.04   0.01  -0.00    -0.01  -0.02  -0.07
   140   1     0.05  -0.15   0.03    -0.04   0.10  -0.03    -0.01  -0.05  -0.06
   141   1    -0.08   0.21   0.36     0.05  -0.14  -0.25    -0.03   0.01   0.02
   142   1     0.03  -0.20  -0.06    -0.03   0.15   0.05    -0.04   0.02   0.04
   143  17     0.00   0.00   0.01    -0.00   0.01   0.01    -0.00   0.00   0.00
                    166                    167                    168
                      A                      A                      A
 Frequencies --    823.0989               829.9070               843.7880
 Red. masses --      1.1039                 1.6317                 2.5411
 Frc consts  --      0.4406                 0.6622                 1.0660
 IR Inten    --      1.0396                52.8586                53.4728
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.01  -0.01   0.00    -0.04   0.03  -0.02
     2   6    -0.00   0.00   0.00    -0.00  -0.01  -0.00     0.02   0.05   0.01
     3   6    -0.00   0.00   0.00    -0.00  -0.01   0.00     0.02   0.04  -0.01
     4   6     0.00  -0.00  -0.00    -0.01   0.00  -0.00     0.03  -0.01  -0.02
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.02   0.03
     6   6    -0.00   0.00  -0.00     0.00   0.01  -0.00    -0.03  -0.06   0.05
     7   6    -0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.02   0.01   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.01  -0.02   0.05
     9   6     0.01  -0.01   0.00    -0.01  -0.02   0.00     0.05   0.09  -0.00
    10   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    11   6    -0.00  -0.00  -0.00     0.01  -0.00   0.00    -0.04   0.02  -0.02
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.03
    13   6     0.00   0.00  -0.00     0.00   0.01  -0.00     0.01  -0.01  -0.06
    14   6     0.00   0.00  -0.00    -0.00   0.01  -0.01     0.03  -0.04  -0.04
    15   7     0.00  -0.01  -0.00    -0.02  -0.04  -0.01     0.07   0.11  -0.11
    16   6     0.00   0.00   0.00     0.01   0.02   0.08     0.03   0.05  -0.01
    17   6    -0.00   0.00  -0.00     0.00   0.00  -0.02    -0.03  -0.03   0.01
    18   7     0.00   0.00  -0.00    -0.00   0.02  -0.01     0.01  -0.07   0.03
    19   6    -0.00  -0.00  -0.00    -0.02  -0.06  -0.09    -0.02   0.03  -0.04
    20   6    -0.00  -0.00  -0.00    -0.02  -0.03  -0.08    -0.02  -0.01  -0.01
    21   6    -0.00   0.00   0.00     0.02   0.02   0.05    -0.03   0.01   0.03
    22   6    -0.00  -0.00   0.00     0.01   0.02  -0.01    -0.07  -0.06   0.03
    23   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.01   0.01  -0.03
    24   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.02   0.02
    25   6     0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.00   0.00  -0.00
    26   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.02  -0.02
    27   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.02  -0.02
    28   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.03   0.04
    29   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.01   0.02  -0.03
    30   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01   0.02  -0.03
    31   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.03   0.02
    32   6    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.02  -0.05   0.01
    33   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.03  -0.04
    34   6     0.00   0.00   0.00    -0.01  -0.00  -0.00     0.03  -0.00   0.04
    35   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.02  -0.00   0.04
    36   6     0.00  -0.00  -0.00    -0.00   0.01  -0.03     0.01  -0.02  -0.02
    37   6     0.00  -0.00  -0.00    -0.01   0.01  -0.03     0.02  -0.02  -0.02
    38   6     0.00  -0.00   0.00     0.02  -0.00   0.04    -0.01  -0.00  -0.00
    39   6    -0.00   0.00  -0.00    -0.02  -0.00  -0.02     0.01   0.02   0.02
    40   6    -0.00   0.00  -0.00    -0.01  -0.00  -0.02     0.01   0.01   0.02
    41   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01   0.03   0.01
    42   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.02  -0.01
    43   7    -0.00  -0.00  -0.00     0.01  -0.02  -0.00    -0.01   0.00  -0.00
    44   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    45   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    46   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    47   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    48   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.01
    49   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    50   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00   0.00
    51   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
    52   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    53   6     0.00  -0.00  -0.00     0.01  -0.00  -0.00     0.00   0.00   0.00
    54   6    -0.00  -0.00  -0.00    -0.01  -0.01   0.00     0.00   0.00  -0.01
    55   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    56   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01   0.00
    57   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    58   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    59   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.01
    60   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.01
    61   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    62   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
    63   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.01
    64   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.02  -0.01  -0.01
    65   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.01
    66   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.01   0.01
    67   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.01   0.01
    68   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    69   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    70   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    71   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01   0.00  -0.00
    72   6    -0.00   0.00   0.00    -0.01  -0.00   0.01     0.01   0.01  -0.00
    73   6    -0.00   0.00  -0.00     0.01  -0.00   0.00    -0.01   0.00   0.00
    74   6    -0.00   0.00  -0.00    -0.00   0.01  -0.01     0.00  -0.01   0.01
    75   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    76   6    -0.00   0.00  -0.00    -0.01   0.00  -0.01     0.00   0.00   0.00
    77   6    -0.00   0.00  -0.00    -0.01   0.01  -0.00    -0.00  -0.00  -0.00
    78   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    79   6     0.00   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00  -0.00
    80   8    -0.01  -0.00   0.00    -0.00  -0.00  -0.01    -0.02  -0.00   0.01
    81  15    -0.00   0.01   0.00     0.01   0.03   0.03     0.01  -0.03   0.03
    82   8     0.01  -0.00  -0.00    -0.02   0.01   0.02    -0.01   0.01   0.00
    83   8     0.03   0.01  -0.01     0.01   0.01  -0.05    -0.00   0.01   0.00
    84   6    -0.01  -0.01   0.00     0.02  -0.02  -0.02     0.01  -0.01  -0.00
    85   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.02    -0.00  -0.00  -0.01
    86   6    -0.06  -0.02  -0.01     0.00  -0.03   0.03     0.00  -0.00  -0.00
    87   6    -0.04  -0.01  -0.01     0.01  -0.03   0.00    -0.00   0.01   0.00
    88   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.01  -0.08
    89   1     0.00   0.01   0.00     0.01  -0.01   0.02    -0.04   0.03  -0.19
    90   1    -0.00   0.00  -0.00    -0.00   0.01   0.02     0.00  -0.11  -0.25
    91   1    -0.00  -0.00  -0.00     0.01   0.00   0.01    -0.08  -0.01   0.03
    92   1    -0.00   0.00   0.02    -0.00   0.00   0.05    -0.16  -0.07   0.35
    93   1    -0.01  -0.01   0.01    -0.02   0.00   0.05    -0.10  -0.14   0.25
    94   1     0.00   0.01   0.03     0.18   0.24   0.59    -0.03   0.11   0.12
    95   1     0.00   0.01   0.02     0.11   0.24   0.49    -0.01   0.03   0.11
    96   1    -0.00  -0.00   0.00     0.03   0.02  -0.01    -0.12  -0.04   0.06
    97   1    -0.00  -0.01   0.01     0.00  -0.01   0.01    -0.00  -0.13   0.15
    98   1     0.00  -0.00   0.01    -0.00  -0.01   0.01    -0.01  -0.12   0.13
    99   1     0.00  -0.00   0.01     0.00  -0.00   0.00     0.02  -0.14   0.18
   100   1    -0.00  -0.01   0.01     0.00  -0.00   0.00     0.01  -0.17   0.18
   101   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.07   0.08  -0.21
   102   1     0.00  -0.00   0.00    -0.01   0.00   0.01     0.10   0.05  -0.19
   103   1     0.00   0.00  -0.00    -0.01   0.00   0.01     0.12   0.03  -0.13
   104   1     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.08   0.09  -0.14
   105   1     0.00  -0.00   0.01     0.08  -0.04   0.19     0.04  -0.04   0.06
   106   1     0.00  -0.00   0.00     0.07  -0.02   0.13     0.08  -0.01   0.05
   107   1     0.00   0.00   0.00     0.04  -0.03   0.13    -0.03   0.05  -0.14
   108   1     0.00  -0.00   0.01     0.08  -0.05   0.18    -0.07   0.03  -0.13
   109   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.03
   110   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.02  -0.01  -0.02
   111   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01  -0.01
   112   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.01   0.01   0.03
   113   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01   0.01   0.02
   114   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.02   0.00
   115   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.02
   116   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.02   0.02  -0.02
   117   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.03   0.03
   118   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
   119   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.03   0.01
   120   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00  -0.02
   121   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.02  -0.02
   122   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00  -0.00
   123   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.01   0.03
   124   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.01   0.03
   125   1    -0.00  -0.00  -0.00    -0.02  -0.00  -0.01     0.01  -0.01  -0.01
   126   1    -0.00  -0.00  -0.00     0.01  -0.01  -0.00    -0.01  -0.01  -0.02
   127   1    -0.00  -0.00  -0.00    -0.02   0.01  -0.01     0.01  -0.01   0.00
   128   1     0.00   0.00  -0.00     0.00   0.01   0.00     0.00   0.01   0.01
   129   1     0.00  -0.00   0.00    -0.00   0.01   0.01     0.00  -0.02  -0.02
   130   1    -0.00   0.00  -0.00     0.00   0.01  -0.01    -0.00   0.00  -0.00
   131   1    -0.00  -0.00   0.00    -0.00  -0.01  -0.01     0.00   0.02   0.02
   132   1     0.00   0.00  -0.00     0.01   0.00  -0.02     0.00   0.01   0.01
   133   1     0.06  -0.01   0.01     0.01  -0.02  -0.00     0.00  -0.01  -0.01
   134   1    -0.03   0.05  -0.03     0.03  -0.02   0.02     0.01  -0.01   0.00
   135   1     0.02   0.01  -0.00    -0.10   0.04  -0.06    -0.04   0.02  -0.03
   136   1     0.05  -0.00   0.01    -0.01   0.01   0.03    -0.00   0.00   0.02
   137   1    -0.03   0.04  -0.04     0.02   0.01   0.05     0.01   0.01   0.02
   138   1     0.32  -0.10  -0.35    -0.03   0.01   0.06    -0.01   0.00   0.00
   139   1     0.10   0.16   0.47    -0.02   0.00  -0.01    -0.00  -0.01  -0.02
   140   1     0.07   0.27   0.39    -0.02   0.04  -0.03    -0.00  -0.01  -0.01
   141   1     0.18  -0.00   0.00     0.02  -0.08  -0.13    -0.01   0.01   0.02
   142   1     0.28  -0.20  -0.31    -0.02   0.08   0.03    -0.01   0.00   0.01
   143  17    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
                    169                    170                    171
                      A                      A                      A
 Frequencies --    845.9979               850.0856               850.4805
 Red. masses --      1.5698                 1.3130                 1.2701
 Frc consts  --      0.6620                 0.5591                 0.5413
 IR Inten    --     25.6065                 9.9631                 3.2644
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.02     0.00   0.00   0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.01    -0.00   0.01  -0.01     0.00  -0.00  -0.00
     3   6    -0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.01   0.00   0.03    -0.00   0.00   0.02    -0.00  -0.00   0.01
     5   6    -0.00  -0.01  -0.04     0.00  -0.00  -0.01    -0.00  -0.00  -0.01
     6   6     0.01   0.00  -0.05     0.00  -0.00  -0.01     0.00   0.00  -0.01
     7   6     0.02   0.00  -0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.03  -0.01   0.06     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.02  -0.03  -0.03     0.01   0.01   0.01    -0.01  -0.00   0.00
    10   6     0.00   0.01   0.01    -0.00  -0.01  -0.02    -0.00  -0.00  -0.00
    11   6     0.02   0.00  -0.00    -0.01   0.00  -0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00   0.03    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   6     0.02   0.03  -0.06    -0.00  -0.01   0.00     0.00  -0.00   0.00
    14   6     0.01   0.02  -0.05     0.00  -0.01   0.00    -0.00   0.00   0.00
    15   7    -0.03  -0.00   0.03     0.01   0.00  -0.01    -0.00  -0.00   0.00
    16   6    -0.01  -0.02   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   6     0.01   0.01   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    18   7     0.00   0.02  -0.02     0.00  -0.00   0.01    -0.00   0.00  -0.00
    19   6     0.01  -0.01   0.01    -0.00   0.01  -0.00     0.00  -0.00   0.00
    20   6     0.01   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    21   6     0.01   0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    22   6     0.02   0.01  -0.01    -0.00  -0.01   0.00     0.00   0.00  -0.00
    23   6    -0.01  -0.01   0.02    -0.01  -0.01   0.02    -0.00  -0.00   0.00
    24   6     0.00  -0.03   0.03     0.00   0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   6    -0.00   0.03  -0.05     0.00  -0.02   0.02     0.00   0.01  -0.01
    27   6    -0.01   0.03  -0.05    -0.00  -0.02   0.02     0.00   0.01  -0.02
    28   6    -0.00  -0.04   0.05     0.00   0.00  -0.00     0.00   0.00  -0.00
    29   6    -0.00   0.02  -0.02    -0.00   0.01  -0.02    -0.00  -0.01   0.02
    30   6     0.01   0.02  -0.02    -0.00   0.01  -0.01    -0.00  -0.01   0.02
    31   6     0.01   0.01  -0.02    -0.01  -0.01   0.02     0.02   0.02  -0.03
    32   6     0.01   0.01  -0.02    -0.01  -0.01   0.02     0.02   0.02  -0.04
    33   6    -0.01  -0.02   0.03    -0.01  -0.01   0.03    -0.00  -0.00   0.01
    34   6     0.00   0.01  -0.03     0.03   0.03  -0.06    -0.02  -0.01   0.03
    35   6     0.00   0.01  -0.03     0.02   0.03  -0.06    -0.01  -0.01   0.03
    36   6     0.00   0.01   0.01    -0.02   0.01  -0.04    -0.02   0.01  -0.05
    37   6    -0.00   0.01   0.02    -0.02   0.01  -0.04    -0.03   0.01  -0.05
    38   6     0.00   0.00  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    39   6    -0.00  -0.01  -0.01     0.01  -0.01   0.04     0.02  -0.01   0.05
    40   6    -0.00  -0.00  -0.01     0.01  -0.01   0.03     0.02  -0.01   0.04
    41   7    -0.01  -0.02  -0.01    -0.01  -0.01  -0.00     0.00  -0.01  -0.00
    42   7     0.01  -0.03  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    43   7     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    44   6    -0.00   0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
    45   6     0.01  -0.00  -0.00    -0.00   0.00   0.01     0.00  -0.00  -0.01
    46   6    -0.01  -0.01  -0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
    47   6    -0.00   0.00   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    48   6     0.00   0.00   0.01     0.00   0.00   0.01    -0.00  -0.00  -0.01
    49   6     0.00  -0.01  -0.00    -0.00  -0.01  -0.01     0.00   0.00   0.01
    50   6    -0.01   0.00  -0.00    -0.00   0.01   0.01    -0.00  -0.00  -0.01
    51   6     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.01
    52   6    -0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.01
    53   6    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.00   0.01   0.01
    54   6    -0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01
    55   6     0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.00   0.01   0.01
    56   6    -0.02  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    57   6     0.01  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    58   6    -0.00   0.02  -0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    59   6     0.00   0.01  -0.01     0.00  -0.00  -0.01    -0.00   0.00   0.01
    60   6     0.00   0.01  -0.02    -0.00   0.00   0.01     0.00  -0.00  -0.01
    61   6    -0.01   0.02  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    62   6    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    63   6     0.01   0.01   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
    64   6    -0.01   0.01   0.00    -0.01   0.00  -0.01    -0.00   0.00   0.01
    65   6     0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.01
    66   6     0.01   0.01  -0.01     0.01   0.01  -0.00     0.00   0.00  -0.00
    67   6     0.00   0.00  -0.01     0.01   0.01   0.01    -0.00  -0.00  -0.01
    68   6     0.00   0.00  -0.01    -0.00  -0.00  -0.02     0.00   0.01   0.01
    69   6     0.01   0.01  -0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
    70   6    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00  -0.00  -0.01
    71   6     0.01  -0.01   0.01     0.01  -0.00   0.01    -0.00  -0.00  -0.01
    72   6     0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.00   0.01   0.01
    73   6     0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.01   0.01
    74   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    75   6    -0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01
    76   6     0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.00   0.01   0.01
    77   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    78   6     0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.00  -0.01  -0.01
    79   6    -0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01
    80   8     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    81  15    -0.00  -0.00  -0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    82   8     0.00  -0.01  -0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    83   8    -0.00  -0.00   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    84   6    -0.01   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    85   6     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    86   6     0.00   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    87   6    -0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    88   1    -0.00   0.01   0.06     0.01   0.00   0.07    -0.00   0.00   0.01
    89   1     0.01   0.01   0.23     0.00   0.00   0.07     0.00  -0.00   0.04
    90   1     0.03   0.04   0.31     0.02   0.01   0.12    -0.00   0.01   0.06
    91   1    -0.02   0.01   0.12    -0.00  -0.00  -0.02     0.01   0.01  -0.01
    92   1    -0.12  -0.04   0.45    -0.00  -0.00  -0.02     0.01  -0.00  -0.00
    93   1    -0.11  -0.07   0.29     0.00  -0.00  -0.00     0.00   0.01  -0.00
    94   1     0.02  -0.04  -0.04    -0.01   0.00  -0.01    -0.00  -0.02  -0.03
    95   1     0.01  -0.01  -0.05    -0.01  -0.00   0.00    -0.00  -0.01  -0.01
    96   1     0.02  -0.00  -0.04    -0.01  -0.00   0.01    -0.00   0.01   0.00
    97   1     0.00  -0.24   0.26    -0.00   0.12  -0.14     0.00  -0.08   0.09
    98   1    -0.03  -0.23   0.24     0.00   0.13  -0.15    -0.00  -0.10   0.10
    99   1     0.00  -0.10   0.13    -0.00  -0.10   0.11    -0.00   0.11  -0.12
   100   1     0.01  -0.12   0.14    -0.00  -0.09   0.10     0.00   0.10  -0.11
   101   1    -0.06  -0.07   0.14     0.07   0.06  -0.15    -0.11  -0.11   0.24
   102   1    -0.05  -0.07   0.13     0.08   0.08  -0.16    -0.11  -0.12   0.26
   103   1    -0.08  -0.06   0.15    -0.18  -0.19   0.39     0.08   0.10  -0.20
   104   1    -0.08  -0.08   0.15    -0.16  -0.18   0.37     0.07   0.09  -0.18
   105   1    -0.03   0.02  -0.07     0.11  -0.05   0.24     0.15  -0.07   0.33
   106   1    -0.05   0.01  -0.06     0.12  -0.06   0.26     0.16  -0.08   0.36
   107   1     0.01  -0.02   0.04    -0.11   0.05  -0.24    -0.15   0.07  -0.33
   108   1     0.02  -0.01   0.03    -0.10   0.05  -0.22    -0.14   0.06  -0.30
   109   1    -0.02   0.00  -0.03     0.01  -0.00  -0.02    -0.01   0.00   0.02
   110   1     0.01  -0.01  -0.01     0.01  -0.01  -0.03    -0.01   0.01   0.03
   111   1    -0.02   0.02  -0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
   112   1    -0.01   0.01   0.02    -0.01   0.00   0.03     0.01  -0.00  -0.03
   113   1    -0.03   0.01   0.04     0.02  -0.00  -0.04    -0.01   0.00   0.03
   114   1     0.00   0.03   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
   115   1     0.02  -0.01  -0.04    -0.02   0.01   0.04     0.01  -0.00  -0.03
   116   1     0.03   0.02  -0.03    -0.01   0.00   0.03     0.01  -0.00  -0.02
   117   1    -0.01   0.02  -0.02     0.00   0.02   0.02    -0.01  -0.01  -0.04
   118   1    -0.00  -0.01  -0.01     0.01   0.01   0.04    -0.01  -0.02  -0.05
   119   1     0.00   0.02  -0.00     0.00   0.01  -0.00     0.00   0.01   0.00
   120   1     0.01   0.01   0.02    -0.00  -0.01  -0.04     0.01   0.02   0.06
   121   1     0.01   0.01   0.02     0.02   0.03   0.09    -0.01  -0.01  -0.05
   122   1     0.02   0.01  -0.00     0.02   0.01   0.00     0.00  -0.00  -0.00
   123   1    -0.01  -0.01  -0.02    -0.03  -0.03  -0.08     0.01   0.02   0.05
   124   1     0.01  -0.01  -0.02     0.00  -0.02  -0.07     0.01   0.01   0.03
   125   1     0.00   0.01   0.01    -0.01  -0.03  -0.03    -0.01  -0.04  -0.05
   126   1     0.00   0.01   0.01    -0.00  -0.04  -0.04    -0.00  -0.05  -0.06
   127   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
   128   1    -0.00  -0.01  -0.01     0.01   0.04   0.05     0.01   0.05   0.07
   129   1     0.00   0.01   0.01    -0.00  -0.03  -0.04    -0.01  -0.05  -0.06
   130   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   131   1    -0.00  -0.00  -0.01     0.00   0.04   0.04     0.00   0.05   0.05
   132   1    -0.00  -0.01  -0.00     0.00   0.03   0.03     0.00   0.04   0.04
   133   1    -0.01   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
   134   1    -0.01   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   135   1     0.03  -0.01   0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
   136   1     0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
   137   1    -0.00  -0.00  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
   138   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
   139   1     0.00  -0.01  -0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
   140   1     0.00  -0.02  -0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
   141   1    -0.01   0.02   0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
   142   1    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
   143  17     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
                    172                    173                    174
                      A                      A                      A
 Frequencies --    850.9554               854.2161               858.7739
 Red. masses --      1.2720                 2.1740                 1.7206
 Frc consts  --      0.5427                 0.9346                 0.7477
 IR Inten    --      4.6512                51.0674                23.6763
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.02   0.02  -0.00    -0.01   0.01  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.04  -0.02     0.01   0.01  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.03  -0.01     0.01   0.01  -0.00
     4   6    -0.00  -0.00   0.01     0.02   0.00   0.05     0.01   0.00   0.01
     5   6    -0.00  -0.00  -0.01     0.01  -0.02  -0.02    -0.00  -0.01  -0.00
     6   6     0.00  -0.00  -0.01    -0.01  -0.03  -0.03    -0.01  -0.02   0.00
     7   6     0.00   0.00   0.00    -0.02   0.01  -0.00    -0.01   0.00  -0.00
     8   6     0.00   0.00   0.00     0.03   0.00  -0.02     0.01  -0.00   0.00
     9   6    -0.00   0.00  -0.00     0.05   0.07   0.05     0.02   0.03   0.00
    10   6    -0.00  -0.00  -0.01    -0.01  -0.03  -0.06    -0.01   0.00  -0.01
    11   6     0.00   0.00  -0.00    -0.05   0.00  -0.00    -0.01   0.01  -0.00
    12   6    -0.00  -0.00   0.01    -0.01  -0.01  -0.00     0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.01    -0.01  -0.03   0.00    -0.00  -0.01  -0.00
    14   6     0.00   0.00  -0.00     0.01  -0.04   0.01     0.00  -0.01   0.00
    15   7    -0.00   0.00  -0.00     0.06   0.06  -0.08     0.02   0.02  -0.01
    16   6    -0.00   0.00   0.00     0.02   0.04  -0.00     0.00  -0.01  -0.02
    17   6    -0.00  -0.00   0.00    -0.02  -0.02   0.00    -0.01  -0.00   0.02
    18   7     0.00  -0.00   0.00     0.02  -0.04   0.04    -0.00  -0.01   0.00
    19   6     0.00  -0.00  -0.00    -0.02   0.03  -0.03     0.01   0.03   0.03
    20   6     0.00  -0.00  -0.00    -0.02  -0.01  -0.01    -0.00   0.03   0.02
    21   6     0.00   0.00   0.00    -0.02   0.01   0.03    -0.01  -0.02  -0.04
    22   6    -0.00  -0.00   0.00    -0.05  -0.04   0.03    -0.02  -0.02  -0.01
    23   6    -0.00  -0.00   0.01    -0.03  -0.02   0.06    -0.01  -0.00   0.01
    24   6     0.00   0.00   0.00    -0.00   0.02  -0.02    -0.00  -0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.01   0.00  -0.02     0.04  -0.02   0.10
    26   6    -0.00  -0.04   0.04     0.00   0.00   0.01    -0.00   0.00  -0.00
    27   6    -0.00  -0.04   0.04     0.00   0.01   0.01     0.00   0.00  -0.00
    28   6     0.00  -0.00   0.00    -0.00   0.02  -0.02     0.00  -0.00   0.00
    29   6    -0.00   0.04  -0.05     0.01  -0.03   0.03     0.00  -0.00   0.00
    30   6    -0.00   0.04  -0.04     0.00  -0.03   0.03     0.00   0.00  -0.00
    31   6     0.02   0.02  -0.03     0.02   0.01  -0.06     0.00  -0.00  -0.01
    32   6     0.02   0.02  -0.04     0.02   0.00  -0.06     0.00  -0.00  -0.01
    33   6    -0.00  -0.00   0.01    -0.03  -0.02   0.05    -0.01  -0.00   0.01
    34   6    -0.01  -0.01   0.02     0.03   0.02  -0.02     0.01   0.00   0.00
    35   6    -0.01  -0.01   0.02     0.02   0.02  -0.03     0.00   0.00  -0.00
    36   6     0.00  -0.00   0.00     0.02  -0.02   0.02    -0.02   0.01  -0.05
    37   6     0.00  -0.00   0.00     0.03  -0.02   0.02    -0.02   0.01  -0.05
    38   6    -0.00   0.00  -0.00    -0.01   0.00  -0.01     0.03  -0.01   0.07
    39   6    -0.00   0.00  -0.00     0.00   0.02  -0.01    -0.03   0.02  -0.06
    40   6    -0.00   0.00  -0.00     0.00   0.01  -0.00    -0.04   0.01  -0.06
    41   7    -0.00  -0.01  -0.00    -0.03  -0.03  -0.01    -0.01  -0.00  -0.00
    42   7     0.01  -0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    43   7    -0.00   0.00  -0.00    -0.01   0.01  -0.00     0.02  -0.06   0.01
    44   6     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    45   6    -0.01   0.00   0.02    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    46   6     0.01  -0.00  -0.02     0.00   0.01   0.01    -0.00  -0.00   0.00
    47   6    -0.01   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.00
    48   6    -0.00  -0.00  -0.01    -0.00   0.00   0.01    -0.00   0.00   0.00
    49   6     0.00   0.00   0.01     0.01  -0.01   0.00     0.00  -0.00   0.00
    50   6    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    51   6     0.00   0.00   0.01     0.00   0.00   0.02     0.00   0.00   0.00
    52   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.02
    53   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02  -0.01  -0.01
    54   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.01  -0.02   0.00
    55   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01     0.01   0.01   0.02
    56   6    -0.01   0.00   0.01     0.01   0.00  -0.01    -0.00  -0.00  -0.00
    57   6    -0.00   0.00   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    58   6    -0.00   0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    59   6     0.01  -0.00  -0.02    -0.01  -0.00   0.02    -0.00   0.00  -0.00
    60   6    -0.01   0.00   0.02     0.00  -0.00   0.00     0.00   0.00  -0.00
    61   6     0.00  -0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    62   6     0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
    63   6     0.01  -0.00  -0.01    -0.01  -0.00  -0.00     0.00   0.00   0.00
    64   6    -0.00   0.01   0.01    -0.01   0.02   0.02    -0.00   0.00   0.00
    65   6     0.00  -0.00   0.01     0.00  -0.00   0.01     0.00   0.00   0.00
    66   6     0.00   0.00  -0.00     0.01   0.01  -0.01     0.00   0.00  -0.00
    67   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.03     0.00  -0.00  -0.01
    68   6     0.00   0.01   0.01     0.00   0.01  -0.02     0.00   0.00  -0.00
    69   6     0.00   0.00  -0.00     0.01   0.02  -0.01     0.00   0.00  -0.00
    70   6    -0.00  -0.00  -0.01    -0.01   0.00   0.01    -0.00   0.00   0.00
    71   6     0.00  -0.00  -0.01     0.02  -0.02   0.01     0.00  -0.00   0.00
    72   6     0.00  -0.00  -0.00     0.01  -0.00  -0.01    -0.02   0.00   0.03
    73   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.01   0.01   0.01
    74   6     0.00  -0.00   0.00     0.00  -0.01   0.01    -0.01   0.02  -0.03
    75   6     0.00   0.00   0.00     0.00   0.01   0.01    -0.01  -0.01  -0.04
    76   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.04
    77   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.02   0.01  -0.03
    78   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.02
    79   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.03   0.03   0.01
    80   8    -0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    81  15     0.00  -0.00   0.00     0.00  -0.02   0.02    -0.00  -0.01   0.00
    82   8    -0.00   0.00   0.00    -0.00   0.01   0.01     0.00  -0.00  -0.00
    83   8    -0.00   0.00   0.00     0.00   0.01  -0.01    -0.00  -0.00   0.01
    84   6     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    85   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.00
    86   6     0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    87   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.01   0.00
    88   1     0.00   0.01   0.02     0.02   0.03   0.13     0.01   0.00   0.02
    89   1     0.00  -0.00   0.04    -0.00   0.04   0.11    -0.01   0.01  -0.00
    90   1     0.00   0.01   0.07     0.03   0.00   0.26     0.01  -0.02   0.02
    91   1    -0.01  -0.00   0.01    -0.01  -0.00  -0.11    -0.02  -0.00  -0.01
    92   1    -0.02  -0.01   0.04    -0.00  -0.01  -0.12    -0.01  -0.01  -0.02
    93   1    -0.01  -0.01   0.04     0.02  -0.04  -0.04     0.00  -0.01  -0.01
    94   1     0.00   0.00   0.00    -0.03   0.10   0.12    -0.05  -0.08  -0.24
    95   1     0.00   0.00   0.00    -0.01   0.02   0.09    -0.03  -0.04  -0.10
    96   1    -0.00  -0.00  -0.00    -0.09  -0.04   0.04    -0.01   0.06   0.16
    97   1    -0.00   0.24  -0.28    -0.00   0.02  -0.00    -0.00  -0.02   0.02
    98   1    -0.01   0.27  -0.30     0.02   0.01   0.00     0.00  -0.02   0.03
    99   1    -0.00  -0.30   0.33     0.01   0.17  -0.20     0.00   0.00  -0.00
   100   1    -0.01  -0.27   0.30     0.00   0.16  -0.18     0.00   0.00  -0.00
   101   1    -0.10  -0.11   0.23    -0.15  -0.17   0.31    -0.02  -0.03   0.04
   102   1    -0.11  -0.12   0.25    -0.11  -0.20   0.34    -0.01  -0.04   0.05
   103   1     0.07   0.09  -0.17    -0.06  -0.09   0.19    -0.00  -0.02   0.03
   104   1     0.06   0.08  -0.15    -0.08  -0.07   0.18    -0.01  -0.01   0.02
   105   1    -0.01   0.00  -0.02    -0.09   0.03  -0.20     0.14  -0.06   0.27
   106   1    -0.01   0.00  -0.02    -0.07   0.05  -0.24     0.16  -0.06   0.32
   107   1     0.01  -0.00   0.01     0.05   0.00   0.05     0.19  -0.09   0.44
   108   1     0.01  -0.00   0.01     0.02  -0.00   0.05     0.16  -0.08   0.37
   109   1     0.03  -0.01  -0.07    -0.01   0.01   0.06    -0.00   0.00  -0.00
   110   1     0.04  -0.02  -0.08    -0.03   0.01   0.05    -0.00  -0.00   0.00
   111   1    -0.00   0.00   0.00     0.02  -0.01  -0.01    -0.00   0.00  -0.00
   112   1    -0.04   0.01   0.09     0.03  -0.02  -0.07     0.00   0.00  -0.00
   113   1     0.04  -0.01  -0.08     0.01  -0.00  -0.00    -0.01   0.00   0.01
   114   1     0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00   0.00   0.00
   115   1    -0.04   0.02   0.08     0.00   0.00  -0.00     0.00  -0.00  -0.01
   116   1    -0.03   0.01   0.06    -0.01  -0.01   0.00     0.01  -0.00  -0.01
   117   1    -0.01  -0.01  -0.04    -0.03   0.00  -0.09    -0.01  -0.00  -0.02
   118   1    -0.01  -0.02  -0.05    -0.02  -0.03  -0.08    -0.01  -0.01  -0.02
   119   1     0.00   0.01   0.00     0.01   0.04   0.02     0.00   0.01   0.01
   120   1     0.01   0.02   0.06     0.04   0.04   0.11     0.01   0.01   0.03
   121   1    -0.01  -0.01  -0.04     0.01   0.03   0.05     0.00   0.00   0.01
   122   1     0.00   0.00  -0.00     0.04   0.02   0.01     0.01   0.00   0.00
   123   1     0.01   0.01   0.04    -0.02  -0.01  -0.03    -0.00  -0.00  -0.00
   124   1     0.01   0.01   0.03     0.03  -0.02  -0.05     0.01  -0.00  -0.01
   125   1     0.00   0.00   0.00     0.02   0.03   0.04    -0.06  -0.09  -0.11
   126   1     0.00   0.00   0.00    -0.00   0.04   0.04     0.00  -0.08  -0.08
   127   1     0.00  -0.00  -0.00     0.01  -0.02  -0.00    -0.04   0.07   0.04
   128   1    -0.00  -0.00  -0.00    -0.01  -0.04  -0.05     0.01   0.13   0.12
   129   1     0.00   0.00   0.00     0.01   0.00   0.01    -0.00   0.14   0.15
   130   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00   0.09   0.02
   131   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.01  -0.11  -0.10
   132   1    -0.00  -0.00  -0.00    -0.00  -0.01   0.00     0.02  -0.07  -0.15
   133   1    -0.00  -0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
   134   1     0.00  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
   135   1    -0.00   0.00  -0.00    -0.04   0.02  -0.03     0.01  -0.01   0.01
   136   1    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00  -0.00  -0.00
   137   1     0.00   0.00   0.00     0.00   0.01   0.01    -0.00  -0.00  -0.00
   138   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.01
   139   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   140   1     0.00  -0.00   0.00    -0.00   0.01   0.00     0.00  -0.01   0.00
   141   1    -0.00   0.00   0.00     0.00  -0.01  -0.01    -0.00   0.01   0.02
   142   1    -0.00  -0.00   0.00    -0.00   0.01   0.01     0.00  -0.01  -0.00
   143  17    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
                    175                    176                    177
                      A                      A                      A
 Frequencies --    864.2599               866.3108               867.3314
 Red. masses --      1.4671                 1.3940                 1.3903
 Frc consts  --      0.6457                 0.6164                 0.6162
 IR Inten    --      1.3127                 2.6838                 1.7116
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.02     0.00  -0.01  -0.02     0.00  -0.00   0.00
     2   6     0.00   0.00   0.01    -0.00  -0.01   0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00
     4   6     0.00   0.00   0.01    -0.00  -0.00  -0.03    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.02     0.00   0.00   0.03     0.00   0.00   0.00
     6   6    -0.00  -0.01  -0.03     0.00   0.01   0.03     0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.01     0.00   0.00  -0.01     0.00  -0.00   0.00
     8   6    -0.01  -0.01   0.03    -0.01  -0.00   0.01    -0.00   0.00  -0.00
     9   6    -0.00  -0.01  -0.02    -0.00  -0.01  -0.01    -0.00  -0.01   0.00
    10   6     0.00   0.00   0.00     0.01   0.01   0.03     0.00  -0.00   0.00
    11   6    -0.01  -0.01   0.01     0.01   0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.01  -0.01   0.04     0.00   0.00   0.01    -0.00  -0.00   0.00
    13   6     0.02   0.01  -0.05     0.01   0.00  -0.01     0.00   0.00   0.00
    14   6     0.02   0.01  -0.03     0.00   0.01  -0.01    -0.00   0.00   0.00
    15   7    -0.00   0.01   0.00    -0.01  -0.00   0.01    -0.01  -0.00   0.00
    16   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.01
    17   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.01
    18   7     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00   0.00   0.00
    19   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01  -0.01  -0.01
    20   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.01  -0.00
    21   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.01   0.01
    22   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01   0.01
    23   6     0.01   0.01  -0.02    -0.00  -0.00   0.01     0.00   0.00  -0.00
    24   6     0.00   0.04  -0.04     0.00   0.00  -0.00    -0.00   0.00  -0.00
    25   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02   0.01  -0.04
    26   6     0.00  -0.02   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    27   6    -0.00  -0.02   0.02    -0.00  -0.01  -0.00     0.00  -0.00   0.00
    28   6    -0.00   0.02  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
    29   6     0.00  -0.02   0.02    -0.00   0.00   0.00     0.00  -0.00   0.00
    30   6    -0.00  -0.02   0.02    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   6    -0.01  -0.01   0.01    -0.00   0.00   0.01    -0.00   0.00   0.00
    32   6    -0.00  -0.01   0.01    -0.00   0.01  -0.00    -0.00   0.00   0.00
    33   6     0.00   0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    34   6    -0.00  -0.00   0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    36   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.01  -0.01   0.03
    37   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.01  -0.01   0.02
    38   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01   0.00  -0.02
    39   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.00   0.02
    40   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.02
    41   7     0.01   0.01   0.00    -0.00  -0.01  -0.02     0.00   0.00  -0.00
    42   7    -0.02   0.03   0.01    -0.00   0.00   0.01    -0.00   0.00  -0.00
    43   7     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01   0.01  -0.02
    44   6     0.01  -0.00  -0.03     0.01  -0.00  -0.01    -0.00   0.00   0.00
    45   6    -0.01   0.00   0.02    -0.00   0.00   0.01     0.00  -0.00  -0.00
    46   6    -0.00   0.01   0.02    -0.00   0.00   0.01     0.00  -0.00  -0.00
    47   6     0.01  -0.00  -0.03     0.01  -0.00  -0.01    -0.00   0.00   0.00
    48   6    -0.00  -0.00  -0.01     0.01   0.01   0.03     0.00   0.00   0.00
    49   6    -0.00   0.00   0.00    -0.00  -0.01  -0.02    -0.00  -0.00  -0.00
    50   6     0.00   0.00   0.01    -0.01  -0.01  -0.02    -0.00   0.00  -0.00
    51   6    -0.00  -0.00  -0.01     0.01   0.01   0.03     0.00   0.00   0.00
    52   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.02   0.02
    53   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.01  -0.01
    54   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.02  -0.03
    55   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.03   0.03
    56   6     0.03   0.00  -0.04     0.01  -0.00  -0.02    -0.00   0.00   0.00
    57   6     0.01  -0.00  -0.03     0.01  -0.00  -0.01    -0.00   0.00   0.00
    58   6    -0.01  -0.01   0.03    -0.01   0.00   0.01     0.00  -0.00  -0.00
    59   6    -0.02   0.00   0.05    -0.01   0.00   0.02     0.00  -0.00  -0.00
    60   6    -0.02   0.00   0.06    -0.01   0.00   0.02     0.00  -0.00  -0.00
    61   6    -0.00  -0.01   0.03    -0.01   0.00   0.01     0.00  -0.00  -0.00
    62   6     0.02  -0.00  -0.03     0.01  -0.00  -0.01    -0.00   0.00   0.00
    63   6     0.01  -0.01  -0.05     0.01  -0.00  -0.02    -0.00   0.00   0.00
    64   6     0.00  -0.01  -0.02     0.01   0.02   0.05     0.00   0.00   0.00
    65   6    -0.00  -0.00  -0.01     0.01   0.01   0.04     0.00   0.00   0.00
    66   6    -0.00  -0.00   0.01    -0.01  -0.01  -0.03    -0.00  -0.00  -0.00
    67   6     0.00   0.01   0.02    -0.02  -0.02  -0.06    -0.00  -0.00  -0.00
    68   6     0.00   0.00   0.02    -0.01  -0.02  -0.06    -0.00  -0.00  -0.00
    69   6    -0.00  -0.00   0.01    -0.01  -0.01  -0.03    -0.00  -0.00  -0.00
    70   6     0.00  -0.00  -0.01     0.01   0.01   0.04     0.00   0.00   0.00
    71   6    -0.01   0.00  -0.02     0.01   0.02   0.05     0.00   0.00   0.00
    72   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.05   0.04
    73   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.03   0.03
    74   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.04  -0.02
    75   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.06  -0.05
    76   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.04  -0.04
    77   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.03  -0.02
    78   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.03   0.02
    79   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.03   0.04
    80   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    81  15    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    82   8     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    83   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    84   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    85   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    86   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    87   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    88   1    -0.00  -0.01  -0.06    -0.01  -0.00  -0.03    -0.00   0.00  -0.00
    89   1    -0.00   0.03   0.15     0.00  -0.03  -0.16     0.00  -0.00  -0.00
    90   1     0.01   0.02   0.17    -0.01  -0.02  -0.23    -0.00   0.00  -0.01
    91   1     0.02  -0.01  -0.08    -0.01   0.00   0.03     0.01   0.00  -0.00
    92   1    -0.09  -0.04   0.33    -0.02  -0.01   0.08     0.00   0.00   0.00
    93   1    -0.08  -0.06   0.26    -0.01  -0.00   0.05    -0.00   0.00   0.00
    94   1     0.00  -0.01  -0.01     0.00  -0.01  -0.00     0.01   0.03   0.08
    95   1    -0.00  -0.00  -0.01     0.00  -0.00  -0.01     0.01   0.01   0.03
    96   1    -0.00  -0.00  -0.00     0.01   0.00  -0.01    -0.00  -0.03  -0.07
    97   1     0.01   0.08  -0.08     0.00  -0.01   0.01     0.00   0.01  -0.01
    98   1     0.00   0.13  -0.15    -0.01   0.00  -0.01     0.00   0.01  -0.01
    99   1     0.00   0.12  -0.14    -0.00   0.00  -0.00     0.00   0.00  -0.00
   100   1    -0.00   0.08  -0.09    -0.00  -0.01   0.01     0.00   0.00  -0.01
   101   1     0.02   0.02  -0.04     0.02   0.01  -0.03     0.00   0.00  -0.00
   102   1     0.03   0.03  -0.07    -0.01   0.00   0.01     0.00   0.00  -0.00
   103   1     0.02   0.03  -0.06    -0.01  -0.00   0.01    -0.00   0.00  -0.00
   104   1     0.01   0.02  -0.04     0.01   0.01  -0.03     0.00   0.00  -0.00
   105   1     0.00  -0.00   0.01     0.00   0.00   0.00    -0.07   0.03  -0.15
   106   1     0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.06   0.03  -0.14
   107   1     0.01  -0.00   0.01    -0.00  -0.00  -0.00    -0.06   0.03  -0.13
   108   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.06   0.03  -0.13
   109   1    -0.08   0.04   0.25    -0.05   0.02   0.11     0.01  -0.00  -0.02
   110   1    -0.09   0.04   0.18    -0.04   0.02   0.09     0.01  -0.00  -0.02
   111   1     0.08  -0.04  -0.13     0.03  -0.01  -0.07    -0.00   0.00   0.01
   112   1     0.13  -0.07  -0.29     0.06  -0.03  -0.14    -0.01   0.00   0.02
   113   1     0.15  -0.07  -0.30     0.07  -0.03  -0.15    -0.01   0.00   0.02
   114   1     0.06  -0.05  -0.14     0.04  -0.02  -0.08    -0.00   0.00   0.01
   115   1    -0.09   0.04   0.20    -0.04   0.02   0.10     0.00  -0.00  -0.01
   116   1    -0.12   0.03   0.24    -0.05   0.02   0.12     0.01  -0.00  -0.01
   117   1     0.03   0.02   0.10    -0.08  -0.10  -0.31    -0.00  -0.00  -0.01
   118   1     0.02   0.03   0.08    -0.06  -0.08  -0.24    -0.00  -0.00  -0.01
   119   1    -0.02  -0.03  -0.05     0.05   0.07   0.19     0.00   0.00   0.01
   120   1    -0.04  -0.04  -0.12     0.11   0.13   0.37     0.00   0.00   0.01
   121   1    -0.03  -0.04  -0.10     0.10   0.13   0.35     0.00   0.01   0.02
   122   1    -0.02  -0.02  -0.05     0.05   0.06   0.19     0.00   0.00   0.01
   123   1     0.02   0.02   0.07    -0.06  -0.07  -0.23    -0.00  -0.00  -0.01
   124   1     0.01   0.03   0.09    -0.07  -0.09  -0.30    -0.00  -0.00  -0.01
   125   1    -0.00  -0.01  -0.02    -0.00   0.00   0.00     0.00  -0.25  -0.29
   126   1    -0.00  -0.01  -0.01     0.00   0.00   0.00    -0.02  -0.20  -0.23
   127   1    -0.00   0.01   0.01    -0.00  -0.00  -0.00     0.03   0.16   0.19
   128   1     0.00   0.02   0.02    -0.00  -0.00  -0.00     0.02   0.32   0.35
   129   1     0.00   0.02   0.02    -0.00  -0.01  -0.01     0.02   0.25   0.27
   130   1     0.00   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.12   0.17
   131   1    -0.00  -0.01  -0.01     0.00   0.00   0.00    -0.01  -0.15  -0.17
   132   1    -0.00  -0.01  -0.02     0.00   0.01   0.01    -0.03  -0.22  -0.22
   133   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   134   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   135   1     0.02  -0.01   0.01     0.01  -0.00   0.01    -0.00   0.00  -0.00
   136   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
   137   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
   138   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
   139   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   140   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
   141   1    -0.00   0.01   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.01
   142   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   143  17    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
                    178                    179                    180
                      A                      A                      A
 Frequencies --    869.3593               870.6918               870.9070
 Red. masses --      1.4818                 1.5055                 1.5086
 Frc consts  --      0.6598                 0.6724                 0.6742
 IR Inten    --      2.4564                 0.0849                 0.1363
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00   0.00   0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.01  -0.01  -0.03     0.00   0.00   0.00     0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.01  -0.00   0.03    -0.00   0.00  -0.00    -0.00   0.00   0.01
     9   6     0.00  -0.00  -0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   6    -0.01  -0.01   0.02     0.00   0.00   0.00     0.00   0.00   0.00
    12   6    -0.01  -0.01   0.04     0.00   0.00   0.00     0.00  -0.00   0.01
    13   6     0.02   0.01  -0.04     0.00  -0.00   0.00     0.01  -0.00  -0.01
    14   6     0.02   0.01  -0.03    -0.00   0.00  -0.00     0.00   0.00  -0.01
    15   7     0.00   0.01   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   7     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    19   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    20   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    21   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    23   6     0.01   0.01  -0.03     0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   6     0.00   0.05  -0.05     0.00  -0.00   0.00     0.00   0.01  -0.01
    25   6     0.00  -0.00   0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    26   6     0.00  -0.02   0.03     0.00  -0.00  -0.00    -0.00  -0.02   0.02
    27   6    -0.00  -0.02   0.02    -0.00  -0.00  -0.00    -0.00  -0.02   0.01
    28   6    -0.00   0.02  -0.03     0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6     0.00  -0.02   0.02    -0.00   0.00  -0.00    -0.00   0.01  -0.01
    30   6    -0.00  -0.03   0.03    -0.00   0.00  -0.00    -0.00   0.01  -0.01
    31   6    -0.01  -0.01   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.01
    32   6    -0.01  -0.01   0.01     0.00   0.00   0.00    -0.00   0.00   0.01
    33   6     0.01   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    34   6    -0.01  -0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    35   6    -0.01  -0.01   0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.01
    36   6    -0.00   0.00  -0.00    -0.01   0.00  -0.02    -0.00   0.00   0.00
    37   6    -0.00   0.00  -0.00    -0.01   0.00  -0.01    -0.00   0.00   0.00
    38   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    39   6    -0.00   0.00  -0.00     0.01  -0.00   0.02    -0.00  -0.00  -0.00
    40   6    -0.00   0.00  -0.00     0.01  -0.00   0.03    -0.00  -0.00  -0.00
    41   7     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    42   7    -0.01   0.03  -0.01     0.00  -0.00   0.00    -0.00   0.01  -0.00
    43   7     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    44   6    -0.01   0.01   0.02    -0.00   0.00   0.00    -0.02   0.01   0.05
    45   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.00     0.03  -0.01  -0.06
    46   6     0.01   0.00  -0.02    -0.00   0.00   0.00    -0.02   0.01   0.06
    47   6    -0.01   0.01   0.02     0.00  -0.00  -0.00     0.02  -0.01  -0.04
    48   6     0.01   0.01   0.01     0.00   0.00   0.00    -0.01  -0.01  -0.02
    49   6    -0.01  -0.00  -0.02    -0.00  -0.00  -0.00     0.01   0.01   0.03
    50   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.03
    51   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.02
    52   6    -0.00  -0.00   0.00     0.00   0.04   0.04    -0.00  -0.00  -0.00
    53   6     0.00  -0.00  -0.00    -0.00  -0.05  -0.06    -0.00   0.00   0.00
    54   6    -0.00   0.00   0.00     0.01   0.05   0.05    -0.00  -0.00  -0.00
    55   6     0.00  -0.00  -0.00    -0.00  -0.03  -0.04     0.00   0.00   0.00
    56   6    -0.00   0.02   0.05     0.00  -0.00  -0.00     0.03  -0.01  -0.05
    57   6    -0.02   0.01   0.02     0.00  -0.00  -0.00     0.01  -0.01  -0.03
    58   6     0.01  -0.03  -0.02    -0.00   0.00   0.00    -0.01  -0.00   0.02
    59   6     0.02  -0.02  -0.04    -0.00   0.00   0.00    -0.02   0.01   0.06
    60   6     0.02  -0.02  -0.03     0.00  -0.00  -0.00     0.03  -0.01  -0.07
    61   6     0.02  -0.02  -0.01     0.00  -0.00  -0.00     0.01  -0.01  -0.03
    62   6    -0.01   0.01   0.02    -0.00   0.00   0.00    -0.02   0.01   0.04
    63   6    -0.03   0.00   0.02    -0.00   0.00   0.00    -0.03   0.01   0.06
    64   6     0.01  -0.00   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.03
    65   6     0.00   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.00   0.02
    66   6    -0.01  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.01
    67   6    -0.01  -0.01  -0.01     0.00   0.00   0.00    -0.01  -0.01  -0.03
    68   6    -0.01  -0.02  -0.03    -0.00  -0.00  -0.00     0.01   0.01   0.03
    69   6    -0.01  -0.01  -0.01     0.00   0.00  -0.00     0.00   0.00   0.01
    70   6     0.01   0.01   0.02     0.00   0.00   0.00    -0.00  -0.01  -0.02
    71   6    -0.00   0.02   0.02     0.00   0.00   0.00    -0.01  -0.01  -0.03
    72   6    -0.00  -0.00  -0.00    -0.00  -0.04  -0.04     0.00   0.00   0.00
    73   6     0.00  -0.00  -0.00    -0.01  -0.03  -0.03     0.00   0.00   0.00
    74   6    -0.00   0.00   0.00     0.00   0.01   0.02    -0.00  -0.00  -0.00
    75   6     0.00   0.00   0.00     0.01   0.05   0.05    -0.00  -0.00  -0.00
    76   6    -0.00   0.00   0.00    -0.00  -0.06  -0.06     0.00   0.00   0.00
    77   6    -0.00   0.00  -0.00    -0.00  -0.02  -0.02     0.00   0.00   0.00
    78   6    -0.00  -0.00  -0.00    -0.00   0.03   0.04     0.00  -0.00  -0.00
    79   6     0.00  -0.00  -0.00     0.00   0.05   0.05    -0.00  -0.00  -0.00
    80   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    81  15    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    82   8     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    83   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    84   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    85   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    86   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    87   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    88   1    -0.01  -0.01  -0.09     0.00  -0.00   0.00    -0.00  -0.00  -0.01
    89   1    -0.00   0.04   0.17     0.00  -0.01  -0.01     0.00  -0.01  -0.01
    90   1     0.01   0.02   0.20    -0.00   0.00  -0.02     0.00   0.00  -0.02
    91   1     0.05  -0.01  -0.13    -0.00   0.00   0.00    -0.00  -0.00  -0.01
    92   1    -0.07  -0.04   0.27     0.00  -0.00  -0.00    -0.02  -0.01   0.07
    93   1    -0.07  -0.05   0.23     0.00   0.00  -0.00    -0.02  -0.01   0.06
    94   1     0.00  -0.00  -0.01     0.00  -0.00   0.01     0.00  -0.00  -0.00
    95   1    -0.00  -0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    96   1    -0.00  -0.00   0.00    -0.00  -0.01  -0.01     0.00  -0.00  -0.00
    97   1     0.01   0.13  -0.14     0.00   0.00  -0.00    -0.00   0.12  -0.13
    98   1     0.00   0.15  -0.17    -0.00   0.00  -0.00    -0.01   0.11  -0.12
    99   1     0.00   0.16  -0.18    -0.00  -0.01   0.01    -0.00  -0.06   0.06
   100   1    -0.00   0.14  -0.16    -0.00  -0.01   0.01    -0.01  -0.08   0.08
   101   1     0.03   0.04  -0.07    -0.00  -0.00   0.00     0.03   0.03  -0.06
   102   1     0.04   0.04  -0.09    -0.00  -0.00   0.00     0.02   0.03  -0.04
   103   1     0.04   0.05  -0.09    -0.00   0.00   0.00    -0.02  -0.02   0.04
   104   1     0.04   0.04  -0.09    -0.00  -0.00  -0.00    -0.02  -0.03   0.05
   105   1     0.01  -0.00   0.01     0.05  -0.03   0.12    -0.00   0.00  -0.01
   106   1     0.01  -0.00   0.02     0.04  -0.03   0.10    -0.00   0.00  -0.00
   107   1     0.01  -0.00   0.01    -0.06   0.03  -0.13     0.00  -0.00   0.00
   108   1     0.00  -0.00   0.01    -0.08   0.03  -0.16     0.00  -0.00   0.00
   109   1     0.13  -0.05  -0.21    -0.01   0.00   0.01    -0.10   0.04   0.24
   110   1     0.08  -0.03  -0.18    -0.01   0.00   0.01    -0.11   0.04   0.23
   111   1    -0.05   0.01   0.17     0.00  -0.00  -0.01     0.07  -0.03  -0.14
   112   1    -0.13   0.05   0.27     0.01  -0.00  -0.02     0.15  -0.07  -0.31
   113   1    -0.09   0.04   0.22    -0.01   0.00   0.01    -0.17   0.08   0.37
   114   1    -0.07  -0.00   0.14    -0.00   0.00   0.01    -0.08   0.03   0.18
   115   1     0.06  -0.02  -0.14     0.00  -0.00  -0.01     0.12  -0.05  -0.27
   116   1     0.07  -0.06  -0.19     0.00  -0.00  -0.01     0.13  -0.05  -0.29
   117   1    -0.01  -0.03  -0.06     0.00   0.00   0.01    -0.03  -0.04  -0.13
   118   1    -0.01  -0.01  -0.04     0.00   0.00   0.01    -0.03  -0.04  -0.12
   119   1     0.01   0.00   0.05    -0.00  -0.00  -0.00     0.02   0.03   0.08
   120   1     0.02   0.02   0.07    -0.00  -0.00  -0.01     0.05   0.06   0.17
   121   1     0.05   0.06   0.17     0.00   0.00   0.00    -0.05  -0.06  -0.17
   122   1     0.01   0.03   0.10     0.00   0.00   0.00    -0.02  -0.03  -0.08
   123   1    -0.03  -0.04  -0.11    -0.00  -0.00  -0.00     0.03   0.04   0.12
   124   1    -0.05  -0.04  -0.14    -0.00  -0.00  -0.00     0.03   0.04   0.13
   125   1    -0.00   0.01   0.02     0.02   0.18   0.21    -0.00  -0.01  -0.01
   126   1     0.00   0.01   0.01     0.01   0.19   0.21    -0.00  -0.01  -0.01
   127   1    -0.00  -0.01  -0.01    -0.00  -0.12  -0.12     0.00   0.00   0.00
   128   1    -0.00  -0.02  -0.02    -0.01  -0.26  -0.27     0.00   0.01   0.01
   129   1    -0.00  -0.00  -0.00     0.02   0.33   0.35    -0.00  -0.01  -0.01
   130   1    -0.00  -0.00  -0.00     0.01   0.15   0.17    -0.00  -0.00  -0.00
   131   1     0.00   0.00   0.00    -0.02  -0.23  -0.25     0.00   0.01   0.01
   132   1     0.00   0.00   0.00    -0.02  -0.24  -0.28     0.00   0.01   0.01
   133   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
   134   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
   135   1     0.01  -0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
   136   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   137   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
   138   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
   139   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
   140   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
   141   1    -0.00   0.01   0.01     0.00  -0.00  -0.00     0.00   0.00   0.00
   142   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
   143  17    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
                    181                    182                    183
                      A                      A                      A
 Frequencies --    870.9942               873.0102               895.5046
 Red. masses --      1.5044                 1.7505                 5.4011
 Frc consts  --      0.6724                 0.7861                 2.5519
 IR Inten    --      0.1685                 2.3867                15.7627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.01   0.02   0.07    -0.12   0.12  -0.04
     2   6     0.00  -0.00   0.00     0.01   0.02   0.01     0.01   0.15   0.00
     3   6     0.00  -0.00  -0.00     0.01   0.01  -0.03     0.02   0.07   0.01
     4   6    -0.00  -0.00   0.00     0.02   0.01   0.08     0.09   0.00  -0.03
     5   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.07     0.08   0.01   0.02
     6   6     0.00   0.00   0.00    -0.02  -0.03  -0.08    -0.06  -0.14   0.05
     7   6    -0.00   0.00   0.00    -0.00  -0.02   0.03     0.01  -0.11   0.03
     8   6     0.00   0.00  -0.00     0.04   0.00  -0.04     0.07  -0.04   0.02
     9   6     0.00   0.00   0.00    -0.01   0.02   0.03    -0.08  -0.01  -0.07
    10   6     0.00  -0.00  -0.00    -0.02  -0.03  -0.06    -0.00  -0.01   0.05
    11   6     0.00   0.00  -0.00    -0.00  -0.02  -0.01     0.04  -0.18  -0.06
    12   6     0.00   0.00  -0.00    -0.01  -0.01  -0.04    -0.16  -0.08  -0.04
    13   6    -0.00  -0.00   0.00    -0.02   0.02   0.04    -0.02   0.22   0.03
    14   6    -0.00  -0.00   0.00    -0.01  -0.01   0.03     0.06  -0.01   0.02
    15   7     0.00   0.00  -0.00    -0.01   0.00  -0.01    -0.14   0.02   0.04
    16   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.05  -0.02   0.02
    17   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.04  -0.01
    18   7     0.00  -0.00   0.00    -0.00   0.00   0.01    -0.03   0.02  -0.02
    19   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.04  -0.05   0.01
    20   6    -0.00  -0.00  -0.00     0.01  -0.00   0.00     0.08  -0.04   0.00
    21   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00  -0.01
    22   6    -0.00  -0.00   0.00     0.00   0.01  -0.00     0.02   0.08  -0.02
    23   6     0.00  -0.00   0.00     0.02   0.03  -0.06    -0.06   0.02   0.04
    24   6     0.00  -0.00   0.01    -0.01  -0.03   0.03    -0.05   0.00  -0.05
    25   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    26   6    -0.00  -0.01   0.00    -0.00   0.02  -0.00    -0.00   0.04   0.05
    27   6    -0.00  -0.00   0.00     0.00   0.03   0.00     0.01   0.08   0.09
    28   6     0.00  -0.00   0.00    -0.01  -0.02   0.01    -0.04  -0.01  -0.02
    29   6    -0.00   0.01  -0.01     0.01   0.01  -0.02     0.10  -0.05  -0.02
    30   6    -0.00   0.01  -0.01     0.01   0.01  -0.02     0.04  -0.03  -0.02
    31   6     0.01   0.01  -0.02    -0.02  -0.03   0.02    -0.00  -0.05  -0.04
    32   6     0.00   0.01  -0.01    -0.01  -0.04   0.02     0.00  -0.08  -0.06
    33   6    -0.00  -0.00   0.00     0.01   0.02  -0.03    -0.03   0.02   0.01
    34   6    -0.01  -0.00   0.01    -0.00  -0.01   0.03     0.10   0.03   0.03
    35   6    -0.01  -0.01   0.02    -0.01  -0.01   0.03     0.04   0.02   0.01
    36   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    37   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    38   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    39   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    40   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    41   7    -0.00   0.00  -0.00     0.02   0.03  -0.01    -0.04  -0.00   0.00
    42   7     0.00  -0.00   0.00     0.00  -0.02   0.00    -0.03   0.01  -0.01
    43   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    44   6    -0.01   0.00   0.02    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    45   6     0.01  -0.00  -0.03     0.01  -0.00   0.00     0.01  -0.00   0.00
    46   6    -0.01   0.01   0.03    -0.01  -0.00   0.01     0.01   0.01   0.00
    47   6     0.01  -0.00  -0.02     0.01  -0.00  -0.01    -0.01   0.01  -0.01
    48   6     0.01   0.01   0.05     0.01   0.00   0.00    -0.01  -0.00   0.01
    49   6    -0.01  -0.02  -0.06    -0.00   0.01  -0.00     0.01  -0.01   0.00
    50   6     0.02   0.02   0.06     0.01  -0.01  -0.01     0.01  -0.00   0.00
    51   6    -0.01  -0.01  -0.04     0.00   0.01   0.01    -0.00   0.00  -0.00
    52   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    53   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    54   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    55   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    56   6     0.01  -0.01  -0.03    -0.00  -0.01  -0.02     0.02   0.01   0.01
    57   6     0.01  -0.00  -0.02     0.01  -0.00  -0.01    -0.01   0.01  -0.01
    58   6    -0.01   0.01   0.01    -0.01   0.01   0.01     0.00  -0.03   0.01
    59   6    -0.01   0.01   0.03    -0.01   0.01   0.01     0.01  -0.00   0.00
    60   6     0.01  -0.00  -0.03    -0.00   0.01   0.00     0.01  -0.00   0.00
    61   6     0.00   0.00  -0.01    -0.01   0.01  -0.00    -0.00   0.00  -0.01
    62   6    -0.01   0.00   0.02    -0.00  -0.01  -0.00    -0.01  -0.01   0.00
    63   6    -0.01   0.00   0.02     0.02   0.00   0.00     0.00   0.00   0.01
    64   6    -0.01  -0.02  -0.05     0.02  -0.00   0.02    -0.00  -0.00  -0.01
    65   6    -0.01  -0.01  -0.04     0.00   0.01   0.01    -0.00   0.01  -0.00
    66   6     0.01   0.01   0.02    -0.02  -0.02  -0.01     0.00   0.01   0.00
    67   6     0.02   0.02   0.06    -0.02  -0.01  -0.02     0.01  -0.00  -0.00
    68   6    -0.02  -0.02  -0.06    -0.01  -0.02  -0.01     0.01   0.00  -0.00
    69   6    -0.01  -0.01  -0.02    -0.01  -0.02  -0.00     0.01   0.03  -0.01
    70   6     0.01   0.01   0.04     0.01   0.00   0.01    -0.02  -0.00   0.00
    71   6     0.02   0.02   0.06    -0.01   0.02   0.01     0.02  -0.02   0.00
    72   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    73   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    74   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    75   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    76   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    77   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    78   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    79   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    80   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02   0.01  -0.01
    81  15     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    82   8     0.00   0.00   0.00    -0.00   0.00   0.01    -0.01  -0.00  -0.00
    83   8     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.00   0.01
    84   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    85   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.00  -0.00   0.00
    86   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    87   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
    88   1    -0.00   0.00   0.00     0.01   0.00  -0.04     0.02   0.10  -0.09
    89   1    -0.00  -0.01  -0.01    -0.01   0.11   0.40    -0.01   0.23  -0.12
    90   1    -0.00   0.00  -0.01     0.02   0.04   0.54    -0.00  -0.19  -0.21
    91   1    -0.01   0.00   0.01     0.01  -0.01  -0.01    -0.01  -0.10   0.25
    92   1     0.00  -0.00  -0.03     0.08   0.06  -0.25     0.09   0.21   0.03
    93   1     0.01   0.01  -0.02     0.04   0.01  -0.18    -0.09  -0.20  -0.04
    94   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.06  -0.06  -0.01
    95   1    -0.00   0.00   0.00     0.01   0.00   0.00     0.12  -0.00  -0.04
    96   1    -0.00   0.00   0.00     0.01   0.00  -0.01     0.07   0.03  -0.12
    97   1    -0.00   0.03  -0.04    -0.01  -0.04   0.06     0.00   0.12   0.00
    98   1    -0.00   0.02  -0.03     0.02  -0.06   0.10     0.13   0.17  -0.01
    99   1    -0.00  -0.06   0.06     0.02  -0.09   0.11     0.16   0.09  -0.05
   100   1    -0.00  -0.06   0.07     0.01  -0.08   0.08     0.04  -0.03  -0.03
   101   1    -0.06  -0.06   0.12     0.06   0.08  -0.16    -0.03  -0.11   0.03
   102   1    -0.05  -0.05   0.10     0.12   0.08  -0.22     0.04  -0.18   0.11
   103   1     0.04   0.05  -0.09     0.09   0.08  -0.17     0.08  -0.12   0.15
   104   1     0.05   0.06  -0.12     0.06   0.06  -0.12     0.03   0.01   0.04
   105   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.02
   106   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.02  -0.01   0.05
   107   1     0.00  -0.00   0.01    -0.00   0.00  -0.01    -0.00   0.01  -0.02
   108   1     0.00  -0.00   0.01    -0.00   0.00  -0.01    -0.00   0.00  -0.01
   109   1    -0.07   0.03   0.15    -0.05   0.02   0.07     0.04  -0.01   0.02
   110   1    -0.06   0.02   0.14    -0.03   0.01   0.06    -0.01   0.01  -0.01
   111   1     0.04  -0.02  -0.09     0.02  -0.00  -0.07     0.02  -0.02   0.02
   112   1     0.09  -0.04  -0.19     0.05  -0.01  -0.10     0.00  -0.00  -0.00
   113   1    -0.07   0.03   0.15     0.01  -0.00  -0.03     0.00  -0.00   0.03
   114   1    -0.03   0.02   0.07     0.02   0.02  -0.03    -0.02   0.01   0.03
   115   1     0.05  -0.02  -0.11    -0.01  -0.00   0.02    -0.00  -0.01  -0.01
   116   1     0.05  -0.02  -0.11    -0.00   0.02   0.03     0.02   0.01  -0.03
   117   1     0.07   0.09   0.27    -0.02  -0.07  -0.11     0.01   0.00   0.04
   118   1     0.06   0.09   0.25    -0.02  -0.02  -0.09    -0.00   0.01   0.01
   119   1    -0.04  -0.06  -0.17     0.02  -0.00   0.10    -0.01  -0.00  -0.04
   120   1    -0.10  -0.12  -0.35     0.03   0.05   0.14     0.01  -0.01  -0.03
   121   1     0.10   0.13   0.35     0.03   0.02   0.10     0.00   0.00  -0.00
   122   1     0.05   0.06   0.17    -0.01   0.01   0.08     0.03   0.01  -0.02
   123   1    -0.07  -0.09  -0.26    -0.01  -0.02  -0.06    -0.02  -0.00   0.01
   124   1    -0.07  -0.09  -0.28    -0.05  -0.02  -0.08     0.05  -0.00  -0.00
   125   1    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00   0.01   0.01
   126   1    -0.00  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
   127   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.01
   128   1     0.00   0.01   0.01    -0.00  -0.00  -0.00     0.00  -0.00  -0.01
   129   1    -0.00  -0.01  -0.01     0.00   0.01   0.01    -0.00   0.00   0.00
   130   1    -0.00  -0.01  -0.01     0.00   0.00   0.00    -0.00   0.01  -0.00
   131   1     0.00   0.01   0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
   132   1     0.00   0.01   0.01    -0.00  -0.00  -0.01     0.00   0.00  -0.01
   133   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00  -0.01
   134   1     0.00  -0.00   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
   135   1    -0.00   0.00  -0.00    -0.02   0.01  -0.01    -0.01   0.00  -0.00
   136   1    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
   137   1     0.00   0.00   0.00     0.00   0.00   0.01     0.01  -0.00   0.01
   138   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01  -0.00
   139   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.01  -0.01
   140   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01  -0.00
   141   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.02   0.02
   142   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.01   0.00
   143  17    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
                    184                    185                    186
                      A                      A                      A
 Frequencies --    908.3722               917.3558               919.8672
 Red. masses --      1.4875                 1.6924                 1.5448
 Frc consts  --      0.7231                 0.8391                 0.7701
 IR Inten    --     11.5335                 1.6348                 6.7811
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.03    -0.01   0.02   0.06     0.00   0.00  -0.00
     2   6    -0.00  -0.01  -0.07    -0.02  -0.01  -0.16    -0.01  -0.00   0.00
     3   6     0.00  -0.01  -0.00     0.01   0.00   0.09    -0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.02     0.01  -0.01  -0.02     0.00  -0.00   0.00
     5   6    -0.00   0.01  -0.00     0.00   0.00   0.02     0.00   0.00  -0.00
     6   6     0.00   0.01  -0.00     0.00   0.00   0.00     0.00   0.01  -0.00
     7   6    -0.02  -0.00   0.04     0.02  -0.01  -0.06     0.00  -0.00   0.00
     8   6    -0.01   0.00  -0.00    -0.00  -0.00   0.02    -0.00  -0.00  -0.00
     9   6     0.00   0.00   0.01    -0.01  -0.00  -0.01    -0.01  -0.01  -0.00
    10   6     0.00  -0.00  -0.01     0.01  -0.00   0.01     0.01  -0.00   0.01
    11   6     0.04   0.01  -0.14    -0.04  -0.01   0.07     0.01  -0.01   0.00
    12   6    -0.01   0.00   0.06    -0.01  -0.01  -0.04    -0.00  -0.00  -0.00
    13   6     0.01  -0.01  -0.00     0.00   0.01   0.00     0.00   0.01   0.00
    14   6    -0.01  -0.00   0.01     0.01   0.01  -0.01     0.00   0.00  -0.00
    15   7     0.01   0.00  -0.00    -0.01   0.01   0.00    -0.01   0.00   0.00
    16   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02   0.03   0.05
    18   7     0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.02
    19   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.01   0.02
    20   6    -0.00  -0.00  -0.00     0.01  -0.01   0.00     0.01  -0.02  -0.02
    21   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.02   0.06
    22   6    -0.01  -0.01   0.00    -0.01   0.01  -0.00    -0.03  -0.06  -0.14
    23   6     0.01   0.01  -0.02     0.01   0.01  -0.02     0.00  -0.00   0.00
    24   6    -0.00   0.02  -0.02    -0.01  -0.01   0.00    -0.00  -0.00  -0.00
    25   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01   0.01  -0.02
    26   6     0.00  -0.01  -0.00    -0.00   0.01   0.01     0.00   0.00   0.00
    27   6    -0.00  -0.02  -0.00     0.00   0.01   0.01     0.00   0.00   0.00
    28   6     0.00   0.00   0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    29   6     0.01  -0.01   0.01     0.01   0.00  -0.01     0.00  -0.00  -0.00
    30   6     0.00  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    31   6    -0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    32   6    -0.00  -0.00   0.01    -0.00  -0.02  -0.00     0.00  -0.00   0.00
    33   6    -0.00   0.00   0.00    -0.01   0.01   0.01     0.00  -0.00  -0.00
    34   6    -0.01  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
    35   6    -0.00  -0.01  -0.00     0.00  -0.01  -0.01    -0.00   0.00   0.00
    36   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    37   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.00
    38   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.02
    39   6     0.00   0.00  -0.00     0.00   0.01  -0.00     0.00  -0.01   0.01
    40   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01  -0.01  -0.01
    41   7     0.01   0.02  -0.01     0.02   0.04  -0.01     0.00  -0.00   0.00
    42   7    -0.00   0.03  -0.01     0.00  -0.02   0.00    -0.00  -0.00  -0.00
    43   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.03   0.04  -0.03
    44   6     0.00   0.01  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    45   6    -0.01  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    46   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    47   6    -0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    48   6     0.01   0.00  -0.00     0.01   0.00  -0.00     0.00  -0.00   0.00
    49   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    50   6     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00  -0.00
    51   6    -0.00   0.01  -0.00    -0.00   0.02  -0.01     0.00  -0.00   0.00
    52   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.01
    53   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01  -0.00   0.00
    54   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    55   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.02   0.01  -0.01
    56   6     0.01   0.01   0.01    -0.01  -0.00  -0.00     0.00   0.00   0.00
    57   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    58   6     0.00  -0.02   0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    59   6    -0.00  -0.01   0.00     0.00   0.01  -0.00     0.00   0.00   0.00
    60   6     0.00  -0.01   0.00    -0.00   0.01  -0.00     0.00   0.00   0.00
    61   6     0.01  -0.02   0.01    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    62   6     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    63   6    -0.02  -0.00  -0.01     0.01   0.00   0.01     0.00   0.00   0.00
    64   6     0.01  -0.01   0.00     0.02  -0.01  -0.00    -0.00   0.00   0.00
    65   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    66   6    -0.01  -0.01   0.00    -0.02  -0.02   0.01     0.00   0.00  -0.00
    67   6    -0.00  -0.00   0.00    -0.01  -0.01   0.01     0.00   0.00  -0.00
    68   6    -0.00  -0.01   0.00    -0.00  -0.01   0.01    -0.00   0.00  -0.00
    69   6    -0.01  -0.01   0.00    -0.01  -0.02   0.01     0.00   0.00   0.00
    70   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    71   6    -0.01   0.01   0.00    -0.01   0.02   0.00    -0.00  -0.00  -0.00
    72   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.03   0.02  -0.01
    73   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00  -0.00
    74   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.01  -0.03   0.02
    75   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.01   0.01
    76   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01  -0.01   0.01
    77   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.02   0.02
    78   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    79   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03  -0.00   0.01
    80   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    81  15    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    82   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    83   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    84   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    85   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    86   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    87   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    88   1     0.03   0.05   0.47     0.06   0.05   0.85    -0.01   0.00  -0.01
    89   1     0.00   0.00  -0.01    -0.00  -0.00  -0.07     0.00   0.00   0.00
    90   1    -0.01   0.01   0.01     0.02  -0.00  -0.05    -0.00   0.01   0.01
    91   1    -0.32  -0.03   0.77     0.17   0.04  -0.37     0.01  -0.00   0.00
    92   1    -0.00  -0.01  -0.00     0.03  -0.00   0.03     0.00   0.01   0.01
    93   1     0.02   0.02  -0.03    -0.02  -0.01   0.04    -0.00  -0.00   0.00
    94   1    -0.01   0.01   0.00    -0.01  -0.00  -0.00    -0.04  -0.05  -0.12
    95   1    -0.00   0.00   0.00     0.02  -0.00  -0.00     0.05   0.06   0.14
    96   1    -0.01   0.00   0.01    -0.00   0.01  -0.00     0.17   0.42   0.82
    97   1     0.00  -0.01   0.01    -0.00   0.03  -0.01     0.00   0.00   0.00
    98   1    -0.02   0.04  -0.07     0.02  -0.00   0.02     0.00   0.00  -0.00
    99   1     0.01   0.08  -0.08     0.01  -0.03   0.03     0.00  -0.00   0.00
   100   1    -0.03  -0.01   0.00     0.02   0.02  -0.01     0.00  -0.00   0.00
   101   1    -0.00   0.01   0.00    -0.02  -0.02   0.03    -0.00   0.00  -0.00
   102   1     0.02   0.03  -0.05     0.04   0.00  -0.05     0.00   0.00  -0.00
   103   1     0.01   0.03  -0.06     0.03   0.04  -0.08    -0.00  -0.00   0.00
   104   1     0.01  -0.01   0.01     0.01  -0.04   0.04    -0.00   0.00  -0.00
   105   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.02   0.06
   106   1     0.00   0.00  -0.00     0.01  -0.00   0.00    -0.01   0.02  -0.09
   107   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.05   0.01  -0.08
   108   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.06   0.00   0.05
   109   1     0.03  -0.00  -0.01    -0.01   0.00   0.00     0.00  -0.00   0.00
   110   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
   111   1     0.01  -0.01   0.03    -0.01   0.01  -0.02     0.00  -0.00  -0.00
   112   1    -0.00  -0.01   0.01     0.00   0.01  -0.00     0.00   0.00   0.00
   113   1     0.00  -0.01   0.01    -0.00   0.01  -0.00     0.00  -0.00  -0.00
   114   1    -0.01  -0.03   0.01     0.00   0.02  -0.00    -0.00   0.00   0.00
   115   1     0.00   0.01  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
   116   1    -0.02  -0.03  -0.01     0.01   0.02   0.00     0.00   0.00  -0.00
   117   1     0.00  -0.02  -0.00     0.01  -0.04   0.00    -0.00   0.00  -0.00
   118   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.00  -0.00   0.00
   119   1    -0.00  -0.01   0.02    -0.01  -0.03   0.02     0.00   0.00   0.00
   120   1    -0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.00   0.00  -0.00
   121   1    -0.00  -0.01   0.00    -0.01  -0.02   0.00     0.00   0.00   0.00
   122   1    -0.01  -0.00   0.02    -0.02  -0.00   0.03    -0.00  -0.00  -0.00
   123   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
   124   1    -0.02   0.00  -0.01    -0.03   0.00  -0.01    -0.00   0.00   0.00
   125   1     0.00   0.00   0.00     0.00   0.00   0.00     0.05  -0.01  -0.01
   126   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01   0.01  -0.01
   127   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.04  -0.01   0.03
   128   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01  -0.02   0.01
   129   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.02  -0.02   0.01
   130   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.02   0.05
   131   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01   0.01  -0.00
   132   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.02  -0.03   0.01
   133   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   134   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   135   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
   136   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   137   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
   138   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
   139   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
   140   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
   141   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
   142   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
   143  17    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                    187                    188                    189
                      A                      A                      A
 Frequencies --    932.5796               933.5753               933.7821
 Red. masses --      5.1581                 4.2540                 4.0151
 Frc consts  --      2.6431                 2.1845                 2.0627
 IR Inten    --      4.9680                 5.0938                 1.8261
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02  -0.01     0.00  -0.00  -0.02    -0.00  -0.01  -0.05
     2   6     0.09   0.04  -0.01    -0.01   0.00   0.02     0.01   0.01   0.06
     3   6     0.03   0.03   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.03
     4   6    -0.04   0.03  -0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.01  -0.01   0.01    -0.00  -0.00   0.01     0.01  -0.00   0.01
     6   6    -0.02  -0.09   0.02     0.00   0.01   0.00    -0.00  -0.00   0.01
     7   6    -0.01   0.01  -0.01     0.01   0.00  -0.01    -0.01   0.00   0.02
     8   6     0.03   0.00   0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.06   0.02   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   6    -0.11   0.05  -0.01     0.01  -0.00   0.00     0.00   0.00   0.00
    11   6    -0.04   0.01  -0.00    -0.01  -0.00   0.04     0.01  -0.00  -0.03
    12   6    -0.01  -0.01  -0.01     0.01   0.00  -0.04    -0.01   0.00   0.02
    13   6    -0.00  -0.03  -0.01    -0.01   0.00   0.01     0.00   0.01  -0.00
    14   6     0.00  -0.01   0.00    -0.01  -0.00   0.01     0.00  -0.00  -0.00
    15   7     0.07  -0.02  -0.01    -0.01   0.00   0.00    -0.00  -0.00   0.00
    16   6     0.01  -0.06   0.02    -0.00   0.00  -0.00     0.00   0.00   0.00
    17   6    -0.01  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    18   7    -0.10   0.05   0.01     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    19   6    -0.02  -0.07   0.03     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    20   6    -0.12   0.13  -0.01     0.01  -0.01   0.00    -0.00   0.00  -0.00
    21   6     0.15   0.01  -0.08    -0.01   0.00   0.01     0.00   0.00   0.01
    22   6     0.11  -0.07   0.06    -0.01  -0.00  -0.02    -0.00  -0.01  -0.01
    23   6    -0.01   0.01   0.01    -0.00  -0.00   0.02    -0.01  -0.01   0.04
    24   6    -0.01  -0.00   0.00    -0.01  -0.02   0.04     0.00   0.01  -0.02
    25   6     0.08   0.03  -0.00    -0.01  -0.00  -0.01    -0.00  -0.00  -0.01
    26   6     0.00   0.01  -0.00     0.02   0.03  -0.03    -0.01  -0.02   0.01
    27   6     0.01   0.01   0.00     0.02   0.00  -0.03    -0.01  -0.00   0.01
    28   6    -0.00  -0.01   0.02    -0.01  -0.07   0.10     0.01   0.03  -0.05
    29   6     0.01  -0.01  -0.01     0.00  -0.00  -0.04    -0.00   0.00   0.02
    30   6    -0.00   0.00  -0.01    -0.01   0.02  -0.04     0.01  -0.01   0.02
    31   6     0.00   0.00  -0.01    -0.00   0.01  -0.02    -0.01   0.03  -0.04
    32   6    -0.00  -0.01  -0.02    -0.01  -0.00  -0.02    -0.01   0.00  -0.04
    33   6    -0.02  -0.00   0.02    -0.01  -0.02   0.05    -0.03  -0.04   0.11
    34   6     0.01  -0.00   0.00     0.00  -0.01  -0.02     0.01  -0.01  -0.03
    35   6     0.01  -0.00  -0.01     0.01   0.00  -0.02     0.03   0.00  -0.04
    36   6    -0.06   0.02  -0.01     0.01   0.00   0.01     0.00   0.00   0.01
    37   6    -0.08   0.03   0.03     0.01   0.00   0.00     0.00   0.00   0.00
    38   6     0.07   0.00   0.08    -0.01   0.00  -0.03    -0.01   0.00  -0.02
    39   6    -0.02  -0.10  -0.02    -0.00   0.01   0.01    -0.00   0.00   0.01
    40   6    -0.02  -0.01  -0.04     0.00  -0.00   0.01     0.00  -0.00   0.01
    41   7     0.03   0.05  -0.02     0.07   0.08  -0.04     0.15   0.17  -0.09
    42   7    -0.01   0.04  -0.01    -0.07   0.23  -0.07     0.03  -0.11   0.03
    43   7    -0.07   0.16  -0.13     0.03  -0.05   0.04     0.02  -0.03   0.02
    44   6     0.01   0.02  -0.00     0.03   0.10  -0.00    -0.02  -0.05   0.00
    45   6    -0.00  -0.00  -0.00    -0.02  -0.01  -0.01     0.01   0.01   0.00
    46   6     0.00   0.00   0.00     0.02   0.01   0.01    -0.01  -0.00  -0.01
    47   6    -0.01   0.01  -0.01    -0.08   0.05  -0.05     0.04  -0.02   0.02
    48   6     0.02   0.00  -0.01     0.04   0.01  -0.01     0.10   0.01  -0.03
    49   6    -0.00   0.00  -0.00    -0.01   0.01   0.00    -0.02   0.02   0.00
    50   6     0.01  -0.00   0.00     0.01  -0.01   0.00     0.02  -0.02   0.01
    51   6    -0.00   0.03  -0.01     0.00   0.04  -0.01     0.00   0.10  -0.03
    52   6     0.02   0.07  -0.07    -0.01  -0.02   0.02    -0.00  -0.01   0.01
    53   6    -0.03  -0.00   0.01     0.01   0.00  -0.00     0.00   0.00  -0.00
    54   6     0.02   0.00  -0.01    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    55   6    -0.07   0.02  -0.02     0.02  -0.01   0.01     0.01  -0.01   0.00
    56   6     0.02   0.01   0.01     0.12   0.07   0.01    -0.06  -0.03  -0.00
    57   6    -0.01   0.00  -0.00    -0.04   0.02  -0.00     0.02  -0.01  -0.00
    58   6     0.00  -0.03   0.01     0.02  -0.15   0.06    -0.01   0.07  -0.03
    59   6    -0.00  -0.01   0.00     0.00  -0.07  -0.01    -0.00   0.03   0.01
    60   6     0.01  -0.01   0.00     0.05  -0.05   0.01    -0.02   0.02  -0.00
    61   6     0.01  -0.02   0.01     0.05  -0.13   0.07    -0.02   0.06  -0.03
    62   6     0.00   0.01   0.00     0.01   0.04   0.01    -0.00  -0.02  -0.00
    63   6    -0.02  -0.00  -0.01    -0.11  -0.03  -0.07     0.05   0.01   0.03
    64   6     0.03  -0.02  -0.01     0.05  -0.03  -0.01     0.10  -0.07  -0.03
    65   6     0.00   0.01   0.00     0.00   0.02   0.00     0.01   0.04   0.00
    66   6    -0.03  -0.02   0.02    -0.05  -0.04   0.03    -0.10  -0.09   0.08
    67   6    -0.01  -0.01  -0.00    -0.03  -0.01   0.00    -0.06  -0.03   0.00
    68   6    -0.00  -0.01   0.01    -0.01  -0.03   0.00    -0.02  -0.06   0.00
    69   6    -0.02  -0.02   0.01    -0.03  -0.05   0.04    -0.07  -0.11   0.08
    70   6     0.00   0.00  -0.00     0.02   0.00  -0.00     0.04   0.01   0.00
    71   6    -0.01   0.02   0.00    -0.04   0.04  -0.02    -0.09   0.09  -0.04
    72   6     0.08   0.05  -0.04    -0.03  -0.01   0.02    -0.01  -0.00   0.01
    73   6    -0.02   0.01  -0.01     0.01  -0.01   0.00     0.00  -0.00  -0.00
    74   6     0.04  -0.09   0.07    -0.01   0.03  -0.03    -0.01   0.01  -0.02
    75   6    -0.00  -0.04   0.04    -0.00   0.02  -0.01    -0.00   0.01  -0.00
    76   6     0.03  -0.04   0.02    -0.01   0.01  -0.00    -0.01   0.01  -0.00
    77   6     0.09  -0.09   0.09    -0.02   0.02  -0.03    -0.01   0.01  -0.01
    78   6     0.01   0.04  -0.02    -0.00  -0.01   0.00    -0.00  -0.01   0.00
    79   6    -0.13  -0.03   0.02     0.04   0.01  -0.00     0.02   0.01  -0.00
    80   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    81  15    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    82   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    83   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    84   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    85   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    86   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    87   6     0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    88   1     0.12  -0.04   0.03    -0.01  -0.02  -0.12    -0.02  -0.02  -0.31
    89   1     0.00   0.01  -0.04     0.00  -0.01  -0.03     0.01  -0.01  -0.05
    90   1    -0.00  -0.10  -0.04     0.00   0.01  -0.01    -0.02  -0.00  -0.03
    91   1    -0.04  -0.01  -0.07     0.09   0.01  -0.21    -0.06  -0.02   0.13
    92   1     0.00  -0.03  -0.00     0.02   0.01  -0.03    -0.02   0.01   0.01
    93   1     0.00  -0.02  -0.02     0.02   0.01  -0.06    -0.01  -0.01   0.02
    94   1     0.17  -0.10   0.00    -0.01   0.01   0.01     0.00   0.00   0.01
    95   1    -0.19   0.02  -0.06     0.01  -0.00   0.00    -0.00   0.00  -0.00
    96   1     0.10  -0.20  -0.20     0.01   0.06   0.09     0.01   0.03   0.06
    97   1     0.01  -0.02   0.05     0.05  -0.18   0.26    -0.02   0.08  -0.12
    98   1     0.02   0.00   0.01     0.04  -0.05   0.03    -0.02   0.02  -0.02
    99   1     0.01   0.00  -0.01    -0.00  -0.09   0.03     0.00   0.05  -0.02
   100   1    -0.01  -0.05   0.04    -0.06  -0.21   0.21     0.02   0.10  -0.10
   101   1    -0.03  -0.03   0.06    -0.07  -0.03   0.12    -0.15  -0.07   0.25
   102   1    -0.01  -0.03   0.02    -0.03  -0.02   0.02    -0.07  -0.04   0.04
   103   1     0.03  -0.01  -0.02    -0.01  -0.03   0.02    -0.03  -0.07   0.05
   104   1     0.00  -0.04   0.07    -0.03  -0.07   0.12    -0.06  -0.14   0.25
   105   1    -0.00  -0.02   0.29    -0.01   0.02  -0.08    -0.01   0.01  -0.04
   106   1    -0.16  -0.05   0.04     0.01   0.01  -0.01    -0.00   0.01  -0.01
   107   1    -0.08  -0.09  -0.01    -0.01   0.01  -0.01    -0.01   0.01  -0.01
   108   1     0.14  -0.08   0.26    -0.04   0.01  -0.07    -0.02   0.00  -0.04
   109   1     0.03  -0.00   0.02     0.09   0.02   0.23    -0.04  -0.01  -0.12
   110   1    -0.00   0.01  -0.01     0.02   0.03  -0.10    -0.02  -0.01   0.06
   111   1     0.02  -0.03   0.01     0.18  -0.16  -0.02    -0.09   0.08   0.02
   112   1     0.00  -0.02   0.01    -0.04  -0.07   0.14     0.03   0.03  -0.08
   113   1     0.01  -0.01   0.01     0.00  -0.07   0.13    -0.00   0.03  -0.06
   114   1    -0.00  -0.04   0.00     0.01  -0.22  -0.06    -0.00   0.10   0.03
   115   1    -0.00   0.01  -0.01     0.02   0.03  -0.08    -0.01  -0.01   0.04
   116   1    -0.03  -0.02   0.00    -0.18  -0.10   0.09     0.08   0.05  -0.04
   117   1     0.03  -0.03   0.06     0.05  -0.05   0.08     0.12  -0.09   0.18
   118   1    -0.00   0.00  -0.03     0.00   0.00  -0.04     0.01   0.00  -0.10
   119   1    -0.02  -0.06  -0.02    -0.03  -0.10  -0.01    -0.07  -0.22  -0.04
   120   1    -0.00  -0.00   0.04    -0.02  -0.01   0.06    -0.04  -0.01   0.15
   121   1    -0.01  -0.03  -0.01    -0.01  -0.02   0.06    -0.01  -0.04   0.15
   122   1    -0.03  -0.01   0.03    -0.09  -0.05  -0.01    -0.21  -0.11  -0.04
   123   1     0.01   0.01   0.01     0.01   0.00  -0.04     0.01   0.00  -0.11
   124   1    -0.03   0.00  -0.02    -0.06   0.04   0.07    -0.12   0.11   0.18
   125   1     0.12  -0.02  -0.04    -0.04  -0.02  -0.02    -0.03  -0.02  -0.02
   126   1    -0.01   0.04  -0.01     0.01   0.00   0.02     0.00   0.01   0.02
   127   1     0.14  -0.05   0.08    -0.04   0.04  -0.00    -0.02   0.03   0.01
   128   1     0.02  -0.08   0.04    -0.01   0.00  -0.04    -0.00  -0.01  -0.03
   129   1     0.05  -0.01   0.09    -0.02  -0.01  -0.04    -0.01  -0.00  -0.02
   130   1     0.01  -0.18   0.09    -0.00   0.06  -0.02    -0.00   0.03  -0.01
   131   1    -0.01   0.00  -0.07     0.01   0.01   0.03     0.00   0.00   0.01
   132   1    -0.11  -0.05   0.17     0.03  -0.00  -0.06     0.02  -0.00  -0.03
   133   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   134   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   135   1     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   136   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   137   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   138   1    -0.00   0.01   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
   139   1    -0.00   0.01   0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   140   1    -0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   141   1     0.01  -0.01  -0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
   142   1     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
   143  17    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
                    190                    191                    192
                      A                      A                      A
 Frequencies --    934.5696               935.0652               935.2018
 Red. masses --      1.7388                 1.7330                 1.3763
 Frc consts  --      0.8948                 0.8927                 0.7092
 IR Inten    --      2.3988                 3.5453                 0.5078
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.03  -0.01   0.01    -0.03  -0.01   0.01    -0.01  -0.00   0.00
     3   6    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00
     4   6     0.01  -0.01   0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.01   0.03  -0.00     0.01   0.03  -0.00     0.00   0.01  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.02  -0.00   0.00    -0.02  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.03  -0.01   0.00     0.04  -0.01   0.00     0.01  -0.00   0.00
    11   6     0.01  -0.00   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    13   6     0.00   0.01   0.00     0.00   0.01   0.00    -0.00   0.00   0.00
    14   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   7    -0.02   0.01   0.00    -0.02   0.01   0.00    -0.00   0.00   0.00
    16   6    -0.00   0.02  -0.01    -0.00   0.02  -0.01    -0.00   0.00  -0.00
    17   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    18   7     0.03  -0.02   0.00     0.04  -0.02   0.00     0.01  -0.00   0.00
    19   6     0.01   0.03  -0.01     0.01   0.03  -0.01     0.00   0.01  -0.00
    20   6     0.04  -0.04   0.00     0.04  -0.04   0.00     0.01  -0.01   0.00
    21   6    -0.05  -0.01   0.00    -0.06  -0.01   0.00    -0.01  -0.00   0.00
    22   6    -0.03   0.04   0.02    -0.03   0.04   0.02    -0.01   0.01   0.00
    23   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    25   6    -0.02  -0.01   0.03    -0.02  -0.01   0.03    -0.00  -0.00   0.00
    26   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01   0.01
    27   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    28   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.01
    31   6    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    32   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    33   6     0.00  -0.01   0.01     0.00  -0.00   0.01     0.00  -0.00   0.00
    34   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.01    -0.00  -0.00   0.00
    35   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    36   6     0.00  -0.01  -0.01    -0.00  -0.01  -0.02     0.00  -0.00  -0.00
    37   6     0.01  -0.02  -0.03     0.02  -0.02  -0.02     0.00  -0.00  -0.00
    38   6     0.01  -0.00   0.04     0.00  -0.00   0.03    -0.00  -0.00   0.01
    39   6     0.01   0.02  -0.01     0.01   0.03  -0.02     0.00   0.01  -0.00
    40   6     0.00   0.01  -0.02     0.01   0.01  -0.00     0.00   0.00  -0.00
    41   7     0.01   0.01  -0.01     0.01   0.01  -0.01     0.00  -0.00  -0.00
    42   7    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    43   7    -0.04   0.04  -0.04    -0.04   0.04  -0.03    -0.01   0.01  -0.00
    44   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.01
    45   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.03
    46   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.00  -0.03
    47   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
    48   6     0.01   0.00  -0.00     0.01   0.00   0.00     0.00  -0.00  -0.00
    49   6    -0.00   0.00   0.00     0.00   0.01   0.02    -0.00  -0.00  -0.00
    50   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.02     0.00   0.00   0.00
    51   6     0.00   0.01  -0.00    -0.00   0.00  -0.01     0.00   0.00   0.00
    52   6     0.01   0.02  -0.02     0.00   0.02  -0.01     0.00   0.00  -0.00
    53   6    -0.01  -0.02  -0.01    -0.00   0.01   0.02    -0.00   0.00   0.00
    54   6     0.01   0.02   0.02     0.01  -0.01  -0.02     0.00  -0.00  -0.00
    55   6    -0.03   0.02   0.01    -0.03   0.01  -0.01    -0.00   0.00  -0.00
    56   6     0.01   0.00  -0.00     0.01   0.00  -0.01    -0.03   0.01   0.07
    57   6    -0.00   0.00   0.00    -0.00   0.00   0.01     0.01  -0.01  -0.04
    58   6    -0.00  -0.01   0.00    -0.00  -0.00   0.01     0.02  -0.01  -0.04
    59   6     0.00  -0.00  -0.00     0.00  -0.00  -0.01    -0.02   0.01   0.04
    60   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.03  -0.01  -0.05
    61   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.02   0.01   0.05
    62   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.02   0.01   0.05
    63   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.04  -0.01  -0.08
    64   6     0.01  -0.00   0.00     0.01   0.01   0.04    -0.00  -0.00  -0.01
    65   6    -0.00   0.00  -0.00    -0.01  -0.01  -0.02     0.00   0.00   0.01
    66   6    -0.01  -0.01   0.00    -0.01  -0.01  -0.02     0.00   0.00   0.01
    67   6    -0.00  -0.00   0.00     0.00   0.01   0.03    -0.00  -0.00  -0.01
    68   6    -0.00  -0.01  -0.01    -0.01  -0.01  -0.03     0.00   0.00   0.01
    69   6    -0.00  -0.01   0.01     0.00   0.00   0.03    -0.00  -0.00  -0.01
    70   6     0.01   0.00   0.01     0.01   0.01   0.03    -0.00  -0.00  -0.01
    71   6    -0.01   0.01  -0.01    -0.02  -0.01  -0.05     0.00   0.00   0.01
    72   6     0.03  -0.05  -0.10     0.03   0.05   0.02     0.01   0.01   0.00
    73   6    -0.01   0.04   0.04    -0.02  -0.01  -0.02    -0.00  -0.00  -0.00
    74   6     0.02   0.01   0.08     0.01  -0.05   0.01     0.00  -0.01   0.00
    75   6    -0.00  -0.07  -0.05     0.01   0.01   0.03     0.00   0.00   0.00
    76   6     0.01  -0.00   0.01     0.01  -0.04  -0.03     0.00  -0.01  -0.01
    77   6     0.02  -0.03   0.02     0.02   0.01   0.05     0.00   0.00   0.01
    78   6     0.00   0.00  -0.01     0.00   0.03   0.03     0.00   0.01   0.01
    79   6    -0.03   0.01   0.02    -0.03  -0.05  -0.05    -0.00  -0.01  -0.01
    80   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    81  15     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    82   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    83   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    84   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    85   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    86   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    87   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    88   1    -0.04   0.01  -0.05    -0.04   0.01  -0.04    -0.01   0.00  -0.00
    89   1     0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00  -0.00   0.00
    90   1     0.00   0.03   0.01     0.00   0.03   0.01     0.00   0.01   0.00
    91   1     0.02   0.00   0.00     0.02   0.00   0.01     0.01  -0.00  -0.01
    92   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    93   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    94   1    -0.06   0.02  -0.02    -0.06   0.02  -0.03    -0.01   0.00  -0.01
    95   1     0.05  -0.01   0.02     0.06  -0.01   0.03     0.01  -0.00   0.01
    96   1    -0.07  -0.04  -0.15    -0.08  -0.04  -0.15    -0.01  -0.00  -0.02
    97   1     0.00  -0.01   0.01     0.00  -0.01   0.01     0.00   0.04  -0.04
    98   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.01
    99   1    -0.00  -0.01   0.01    -0.00  -0.01   0.01    -0.00   0.00  -0.00
   100   1    -0.00  -0.01   0.01    -0.00   0.00   0.00    -0.00  -0.03   0.04
   101   1    -0.02  -0.00   0.02    -0.02  -0.01   0.04     0.00   0.00  -0.01
   102   1    -0.01   0.00   0.00    -0.01   0.01  -0.00    -0.00   0.00   0.00
   103   1    -0.01  -0.01   0.01    -0.01  -0.01   0.02    -0.00   0.00  -0.00
   104   1    -0.01  -0.01   0.01     0.00   0.01  -0.02    -0.00  -0.00   0.01
   105   1     0.01  -0.02   0.02     0.06  -0.04   0.10     0.01  -0.01   0.01
   106   1     0.06  -0.02   0.03     0.05  -0.01   0.01     0.01  -0.00   0.00
   107   1     0.06   0.01   0.03     0.07   0.01   0.04     0.01   0.00   0.01
   108   1     0.05   0.00   0.08     0.03   0.02   0.01     0.00   0.00   0.00
   109   1    -0.00   0.00   0.02    -0.02   0.01   0.06     0.17  -0.07  -0.36
   110   1     0.00  -0.00  -0.01     0.01  -0.00  -0.03    -0.10   0.04   0.21
   111   1     0.01  -0.01  -0.01     0.02  -0.01  -0.04    -0.10   0.04   0.23
   112   1    -0.01  -0.00   0.02    -0.02   0.01   0.04     0.12  -0.06  -0.25
   113   1    -0.00  -0.00   0.01     0.00  -0.00  -0.00    -0.15   0.07   0.32
   114   1     0.00  -0.01  -0.01    -0.00  -0.01   0.00     0.13  -0.06  -0.29
   115   1     0.00   0.00  -0.01    -0.00   0.00   0.00     0.12  -0.05  -0.26
   116   1    -0.01  -0.00   0.01    -0.00  -0.00  -0.01    -0.20   0.09   0.44
   117   1     0.00  -0.01  -0.02    -0.05  -0.08  -0.22     0.02   0.03   0.07
   118   1     0.01   0.01   0.01     0.04   0.05   0.13    -0.01  -0.01  -0.04
   119   1     0.00  -0.01   0.02     0.04   0.04   0.14    -0.01  -0.02  -0.05
   120   1    -0.01  -0.01  -0.01    -0.05  -0.06  -0.15     0.01   0.02   0.05
   121   1     0.01   0.01   0.05     0.05   0.06   0.18    -0.01  -0.02  -0.04
   122   1    -0.03  -0.02  -0.04    -0.05  -0.06  -0.16     0.01   0.01   0.04
   123   1    -0.01  -0.01  -0.04    -0.04  -0.05  -0.15     0.01   0.01   0.04
   124   1     0.00   0.03   0.07     0.06   0.09   0.25    -0.02  -0.02  -0.06
   125   1     0.08   0.40   0.44     0.04  -0.18  -0.20     0.01  -0.02  -0.02
   126   1    -0.02  -0.22  -0.26    -0.00   0.11   0.11    -0.00   0.01   0.01
   127   1     0.03  -0.31  -0.28     0.05   0.08   0.14     0.01   0.01   0.01
   128   1     0.02   0.28   0.33     0.00  -0.15  -0.12     0.00  -0.01  -0.01
   129   1     0.02  -0.05  -0.01     0.03   0.19   0.22     0.00   0.03   0.04
   130   1     0.00  -0.02   0.06    -0.01  -0.22  -0.16    -0.00  -0.04  -0.03
   131   1    -0.01   0.04   0.03    -0.02  -0.16  -0.18    -0.00  -0.03  -0.03
   132   1    -0.03  -0.08  -0.04    -0.00   0.26   0.32     0.00   0.05   0.05
   133   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   134   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
   135   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   136   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   137   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   138   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   139   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   140   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   141   1    -0.00   0.01   0.01    -0.00   0.01   0.01    -0.00   0.00   0.00
   142   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   143  17     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
                    193                    194                    195
                      A                      A                      A
 Frequencies --    935.2367               936.0103               936.0722
 Red. masses --      1.4783                 1.4025                 1.3902
 Frc consts  --      0.7618                 0.7239                 0.7177
 IR Inten    --      1.0421                 0.8593                 0.4153
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.01
     2   6    -0.02  -0.01   0.01    -0.01  -0.00  -0.00    -0.00  -0.00  -0.01
     3   6    -0.01  -0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.01  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00   0.02  -0.00     0.00   0.01  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    10   6     0.02  -0.01   0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.01  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.01
    12   6     0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00  -0.01
    13   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    15   7    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   7     0.02  -0.01   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    19   6     0.01   0.02  -0.01     0.00   0.01  -0.00     0.00   0.00  -0.00
    20   6     0.02  -0.03   0.00     0.01  -0.01   0.00     0.01  -0.01   0.00
    21   6    -0.03  -0.01   0.00    -0.02  -0.01  -0.00    -0.01  -0.00  -0.00
    22   6    -0.02   0.02   0.01    -0.01   0.01   0.01    -0.00   0.01   0.00
    23   6     0.00  -0.00   0.00     0.00   0.00  -0.01     0.00   0.00  -0.01
    24   6     0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.01   0.01
    25   6    -0.01  -0.00   0.01    -0.00  -0.00   0.01    -0.00  -0.00   0.00
    26   6     0.00   0.00  -0.00    -0.00  -0.01   0.01     0.00   0.01  -0.01
    27   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    28   6     0.00  -0.00   0.00     0.00   0.01  -0.01    -0.00  -0.01   0.01
    29   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   6    -0.00  -0.00   0.00     0.00  -0.01   0.01    -0.00   0.01  -0.01
    31   6    -0.01  -0.00   0.01    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    32   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    33   6     0.00  -0.00   0.00     0.00   0.00  -0.01     0.00   0.00  -0.01
    34   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    35   6     0.00   0.01  -0.01    -0.00  -0.00   0.01    -0.01  -0.00   0.01
    36   6     0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    37   6     0.01  -0.01  -0.01     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    38   6    -0.00  -0.00   0.02     0.00  -0.00   0.01     0.00  -0.00   0.01
    39   6     0.01   0.02  -0.01     0.00   0.01  -0.00     0.00   0.00  -0.00
    40   6     0.01   0.01  -0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    41   7     0.01  -0.00  -0.00    -0.01  -0.01   0.00    -0.02  -0.02   0.00
    42   7     0.00   0.00  -0.00     0.01  -0.02  -0.00    -0.01   0.02  -0.00
    43   7    -0.02   0.02  -0.02    -0.01   0.02  -0.01    -0.01   0.01  -0.00
    44   6     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.01   0.01  -0.01
    45   6     0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    46   6    -0.00   0.00   0.01    -0.00   0.00   0.01     0.01  -0.00  -0.01
    47   6    -0.00   0.00   0.00     0.00  -0.00   0.02    -0.00   0.00  -0.02
    48   6     0.00  -0.00  -0.01    -0.00   0.00   0.01    -0.01   0.00   0.02
    49   6    -0.01  -0.01  -0.03     0.00   0.00   0.00     0.00   0.00   0.01
    50   6     0.01   0.01   0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    51   6     0.00   0.00   0.01     0.00  -0.00   0.01     0.00  -0.01   0.02
    52   6     0.00   0.01  -0.00     0.00  -0.00  -0.02     0.00   0.00  -0.01
    53   6    -0.00   0.01   0.01    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    54   6     0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    55   6    -0.01   0.00  -0.00    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    56   6     0.01  -0.00  -0.02     0.01  -0.01  -0.05    -0.01   0.02   0.06
    57   6    -0.00   0.00   0.01    -0.01   0.00   0.03     0.01  -0.00  -0.03
    58   6    -0.00   0.00   0.01    -0.02   0.02   0.03     0.02  -0.02  -0.03
    59   6     0.00  -0.00  -0.01     0.02  -0.00  -0.04    -0.02   0.00   0.04
    60   6    -0.01   0.00   0.01     0.01  -0.00  -0.04    -0.01   0.00   0.04
    61   6     0.01  -0.00  -0.01    -0.02   0.01   0.03     0.02  -0.02  -0.03
    62   6     0.00  -0.00  -0.01    -0.01   0.00   0.02     0.01  -0.00  -0.02
    63   6    -0.01   0.00   0.02     0.03  -0.01  -0.04    -0.03   0.00   0.04
    64   6    -0.02  -0.02  -0.08    -0.02  -0.01  -0.03    -0.02  -0.01  -0.04
    65   6     0.01   0.01   0.04     0.01   0.00   0.02     0.01   0.00   0.03
    66   6     0.01   0.01   0.05     0.01   0.01   0.02     0.02   0.02   0.03
    67   6    -0.02  -0.02  -0.05    -0.01  -0.01  -0.03    -0.01  -0.01  -0.04
    68   6     0.01   0.01   0.04    -0.01  -0.01  -0.03    -0.01  -0.01  -0.04
    69   6    -0.01  -0.01  -0.03     0.01   0.02   0.02     0.02   0.02   0.03
    70   6    -0.00  -0.01  -0.03     0.00   0.01   0.02     0.00   0.01   0.03
    71   6     0.01   0.02   0.06    -0.00  -0.02  -0.04    -0.00  -0.03  -0.05
    72   6     0.02   0.02   0.00     0.01   0.02   0.01     0.00   0.01   0.00
    73   6    -0.01  -0.00  -0.01    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    74   6     0.01  -0.02   0.01     0.00  -0.03  -0.00     0.00  -0.01  -0.00
    75   6     0.00  -0.00   0.01     0.00   0.01   0.02     0.00   0.00   0.01
    76   6     0.01  -0.02  -0.02     0.01   0.02   0.03     0.00   0.01   0.01
    77   6     0.01   0.01   0.03     0.01  -0.03  -0.02     0.00  -0.01  -0.00
    78   6     0.00   0.02   0.02    -0.00  -0.02  -0.02    -0.00  -0.00  -0.01
    79   6    -0.01  -0.03  -0.03    -0.01   0.03   0.04    -0.00   0.01   0.01
    80   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    81  15     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    82   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    83   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    84   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    85   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    86   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    87   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    88   1    -0.03   0.00  -0.03    -0.01   0.01   0.02    -0.00   0.00   0.05
    89   1     0.00  -0.00   0.01    -0.00   0.00   0.01    -0.00   0.00   0.01
    90   1     0.00   0.02   0.01     0.00   0.01   0.01     0.00   0.00   0.01
    91   1     0.01   0.00   0.01    -0.01   0.00   0.03     0.02   0.01  -0.04
    92   1    -0.00   0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    93   1     0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00  -0.01
    94   1    -0.04   0.02  -0.02    -0.02   0.00  -0.01    -0.01   0.00  -0.01
    95   1     0.04  -0.01   0.02     0.02  -0.00   0.01     0.01  -0.00   0.00
    96   1    -0.04  -0.02  -0.07    -0.03  -0.03  -0.07    -0.01  -0.01  -0.03
    97   1     0.00  -0.01   0.01    -0.00   0.04  -0.05     0.00  -0.04   0.05
    98   1    -0.00  -0.00  -0.00    -0.01  -0.00   0.01     0.01   0.00  -0.01
    99   1    -0.00  -0.01   0.00     0.00  -0.00   0.01    -0.00  -0.00  -0.00
   100   1    -0.00   0.01  -0.01     0.00   0.04  -0.05    -0.01  -0.05   0.05
   101   1     0.02   0.02  -0.04     0.02   0.02  -0.04     0.03   0.02  -0.05
   102   1    -0.01  -0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
   103   1    -0.00   0.00  -0.00    -0.01   0.00   0.01    -0.00   0.00   0.01
   104   1    -0.02  -0.02   0.04     0.01   0.02  -0.04     0.02   0.03  -0.06
   105   1     0.03  -0.02   0.04     0.02  -0.02   0.05     0.01  -0.01   0.02
   106   1     0.03  -0.01   0.00     0.01  -0.01  -0.00     0.01  -0.00  -0.00
   107   1     0.04   0.01   0.02     0.02   0.00   0.00     0.01   0.00   0.00
   108   1     0.01   0.01  -0.00     0.03  -0.01   0.06     0.01  -0.00   0.02
   109   1    -0.04   0.02   0.10    -0.14   0.05   0.28     0.15  -0.06  -0.29
   110   1     0.03  -0.01  -0.06     0.08  -0.03  -0.16    -0.08   0.04   0.17
   111   1     0.03  -0.01  -0.06     0.08  -0.03  -0.21    -0.09   0.03   0.22
   112   1    -0.03   0.01   0.07    -0.10   0.06   0.21     0.11  -0.06  -0.23
   113   1     0.03  -0.02  -0.06    -0.09   0.05   0.18     0.09  -0.05  -0.18
   114   1    -0.03   0.01   0.06     0.08  -0.02  -0.17    -0.08   0.02   0.18
   115   1    -0.02   0.01   0.05     0.06  -0.03  -0.14    -0.06   0.03   0.14
   116   1     0.04  -0.02  -0.09    -0.10   0.06   0.24     0.10  -0.06  -0.24
   117   1     0.11   0.15   0.42     0.05   0.08   0.20     0.06   0.10   0.25
   118   1    -0.06  -0.09  -0.25    -0.03  -0.04  -0.12    -0.04  -0.05  -0.15
   119   1    -0.07  -0.09  -0.27    -0.04  -0.04  -0.15    -0.05  -0.05  -0.19
   120   1     0.08   0.11   0.30     0.05   0.06   0.16     0.07   0.08   0.19
   121   1    -0.07  -0.08  -0.22     0.05   0.07   0.16     0.07   0.09   0.23
   122   1     0.05   0.07   0.20    -0.03  -0.05  -0.16    -0.04  -0.07  -0.22
   123   1     0.05   0.06   0.19    -0.04  -0.04  -0.13    -0.05  -0.06  -0.18
   124   1    -0.09  -0.11  -0.32     0.07   0.07   0.21     0.10   0.10   0.30
   125   1     0.02  -0.04  -0.05     0.01  -0.10  -0.11     0.01  -0.03  -0.04
   126   1    -0.00   0.03   0.03     0.00   0.06   0.06    -0.00   0.02   0.02
   127   1     0.02   0.01   0.03     0.02   0.07   0.09     0.01   0.02   0.03
   128   1     0.00  -0.04  -0.02    -0.00  -0.09  -0.08     0.00  -0.03  -0.03
   129   1     0.01   0.11   0.12     0.00  -0.16  -0.15     0.00  -0.05  -0.05
   130   1    -0.01  -0.12  -0.10     0.01   0.12   0.16     0.00   0.03   0.05
   131   1    -0.01  -0.09  -0.10     0.01   0.12   0.12     0.00   0.04   0.04
   132   1     0.00   0.15   0.17    -0.03  -0.20  -0.20    -0.01  -0.06  -0.06
   133   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
   134   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   135   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   136   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
   137   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
   138   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   139   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   140   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   141   1    -0.00   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
   142   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   143  17     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                    196                    197                    198
                      A                      A                      A
 Frequencies --    936.1322               953.0668               954.5370
 Red. masses --      1.5945                 2.4891                 5.8329
 Frc consts  --      0.8233                 1.3321                 3.1313
 IR Inten    --      4.2153                36.0190                 3.5420
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.01     0.00   0.00   0.00    -0.01   0.01  -0.00
     2   6     0.02   0.01  -0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6     0.01   0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.01  -0.02   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.01  -0.00
     8   6     0.01   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
     9   6     0.01   0.00   0.00    -0.01   0.00  -0.00     0.00  -0.00  -0.00
    10   6    -0.03   0.01  -0.00    -0.00   0.01  -0.00     0.00   0.00   0.00
    11   6    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00  -0.01   0.01
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    13   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    14   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.01
    15   7     0.02  -0.01  -0.00     0.01  -0.00   0.01    -0.01  -0.00   0.00
    16   6     0.00  -0.01   0.01     0.01   0.00  -0.01    -0.01  -0.00   0.00
    17   6     0.00   0.00   0.01    -0.00  -0.01  -0.02    -0.00   0.00  -0.00
    18   7    -0.03   0.01  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    19   6    -0.01  -0.02   0.01     0.01   0.03   0.08     0.00   0.01   0.01
    20   6    -0.03   0.03  -0.00    -0.02  -0.04  -0.10     0.01  -0.01  -0.01
    21   6     0.04   0.01   0.00     0.01   0.01   0.01    -0.00   0.00   0.00
    22   6     0.02  -0.04  -0.02     0.00   0.01   0.03    -0.00   0.01  -0.00
    23   6     0.00   0.00  -0.01    -0.00   0.00   0.00    -0.01   0.01   0.00
    24   6    -0.00   0.00  -0.01    -0.00  -0.00  -0.00     0.01   0.00   0.01
    25   6     0.01   0.01  -0.03     0.00   0.00  -0.01    -0.00  -0.00  -0.00
    26   6    -0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.20   0.10   0.04
    27   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.05   0.03   0.05
    28   6     0.00   0.00  -0.01    -0.01  -0.00  -0.00     0.17   0.07   0.06
    29   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.02  -0.04  -0.07
    30   6     0.00  -0.00   0.00     0.00   0.01   0.00    -0.01  -0.19  -0.12
    31   6     0.00  -0.00   0.01     0.01   0.00   0.00     0.07   0.02   0.02
    32   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.02   0.01   0.02
    33   6     0.00   0.01  -0.01    -0.00   0.00   0.00    -0.05   0.04   0.00
    34   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.02  -0.02
    35   6    -0.00  -0.00   0.01    -0.00  -0.01  -0.00    -0.01  -0.07  -0.02
    36   6     0.00   0.01   0.02    -0.03  -0.10   0.00    -0.00  -0.01  -0.00
    37   6    -0.02   0.02   0.02     0.00  -0.03  -0.01     0.00  -0.00  -0.00
    38   6    -0.00   0.00  -0.03     0.08   0.03  -0.04     0.01   0.00  -0.00
    39   6    -0.01  -0.02   0.01    -0.01   0.03   0.02    -0.00   0.00   0.00
    40   6    -0.00  -0.01   0.02    -0.08   0.06   0.03    -0.01   0.01   0.00
    41   7    -0.02  -0.01   0.00    -0.01   0.01  -0.00    -0.07   0.06  -0.00
    42   7     0.00  -0.01   0.00    -0.01  -0.00  -0.00     0.25   0.11   0.09
    43   7     0.03  -0.04   0.02     0.13   0.03  -0.04     0.01   0.00  -0.00
    44   6    -0.00  -0.00   0.01    -0.00  -0.00  -0.00     0.06   0.10   0.01
    45   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.05   0.00  -0.02
    46   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.04  -0.04  -0.01
    47   6     0.00  -0.00   0.01    -0.00   0.00  -0.00     0.10  -0.03   0.04
    48   6    -0.01   0.00   0.01    -0.00   0.00   0.00    -0.04   0.00   0.01
    49   6     0.00  -0.00   0.01     0.00  -0.00   0.00     0.01  -0.02   0.00
    50   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.00
    51   6     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.01   0.04  -0.01
    52   6    -0.00  -0.00   0.03     0.02   0.03  -0.03     0.00   0.00  -0.00
    53   6     0.00   0.01   0.01    -0.03  -0.00   0.00    -0.00   0.00   0.00
    54   6    -0.01  -0.00   0.00    -0.02  -0.01   0.01    -0.00  -0.00   0.00
    55   6     0.02   0.00   0.02     0.06  -0.01   0.01     0.00  -0.00   0.00
    56   6     0.00  -0.01  -0.02     0.00   0.00   0.00    -0.13  -0.07  -0.04
    57   6    -0.00   0.00   0.01    -0.00   0.00  -0.00     0.08  -0.02   0.03
    58   6    -0.01   0.01   0.01     0.00  -0.00   0.00    -0.00   0.12  -0.02
    59   6     0.01  -0.00  -0.02     0.00   0.00   0.00    -0.07  -0.04  -0.02
    60   6     0.01  -0.00  -0.02     0.00   0.00   0.00    -0.07  -0.02  -0.03
    61   6    -0.01   0.01   0.01    -0.00   0.00  -0.00     0.06  -0.10   0.04
    62   6    -0.01  -0.00   0.01    -0.00  -0.00  -0.00     0.05   0.07   0.02
    63   6     0.01  -0.00  -0.02     0.01   0.00   0.00    -0.14  -0.04  -0.06
    64   6    -0.02  -0.00  -0.03     0.00  -0.00  -0.00     0.04  -0.03  -0.00
    65   6     0.00   0.00   0.02    -0.00   0.00  -0.00    -0.01   0.03  -0.01
    66   6     0.01   0.01   0.02    -0.00  -0.00   0.00    -0.03  -0.02   0.01
    67   6    -0.00  -0.01  -0.03     0.00  -0.00  -0.00     0.02  -0.01  -0.00
    68   6    -0.01  -0.01  -0.04     0.00  -0.00   0.00     0.02  -0.02   0.00
    69   6     0.01   0.02   0.02     0.00   0.00  -0.00     0.02   0.03  -0.01
    70   6     0.00   0.01   0.03    -0.00   0.00   0.00    -0.03   0.00   0.00
    71   6    -0.00  -0.02  -0.04     0.00  -0.00   0.00     0.04  -0.04   0.01
    72   6    -0.03  -0.04  -0.02    -0.07  -0.03   0.03    -0.01  -0.00   0.00
    73   6     0.01   0.01   0.02     0.04  -0.01   0.00     0.00  -0.00   0.00
    74   6    -0.01   0.04   0.00    -0.01   0.05  -0.04    -0.00   0.00  -0.00
    75   6    -0.01  -0.01  -0.03    -0.03  -0.01   0.01    -0.00  -0.00   0.00
    76   6    -0.01  -0.03  -0.05    -0.04  -0.01   0.01    -0.00  -0.00   0.00
    77   6    -0.01   0.05   0.02     0.03  -0.03   0.02     0.00  -0.00   0.00
    78   6     0.00   0.02   0.03     0.02   0.03  -0.02     0.00   0.00  -0.00
    79   6     0.02  -0.04  -0.06    -0.07  -0.02   0.02    -0.00  -0.00   0.00
    80   8    -0.00  -0.00   0.00    -0.02  -0.00   0.01     0.01   0.00  -0.00
    81  15    -0.00   0.00  -0.00    -0.00   0.03   0.01     0.00  -0.00   0.00
    82   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01  -0.01  -0.02
    83   8    -0.00   0.00  -0.00     0.02  -0.09  -0.02    -0.00   0.02   0.01
    84   6     0.00  -0.00  -0.00     0.01  -0.00   0.01    -0.01   0.01  -0.00
    85   6    -0.00   0.00   0.00    -0.01  -0.00  -0.01     0.01   0.00   0.02
    86   6    -0.00   0.00   0.00     0.01  -0.00  -0.05    -0.00   0.00   0.01
    87   6     0.00  -0.00  -0.00    -0.01   0.07   0.02     0.00  -0.01  -0.01
    88   1     0.03  -0.00   0.06     0.00  -0.00   0.00    -0.00  -0.00  -0.03
    89   1    -0.00   0.01   0.01    -0.00  -0.00   0.00     0.00   0.01   0.02
    90   1    -0.00  -0.02  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    91   1    -0.02  -0.00   0.01     0.00  -0.00   0.00     0.02  -0.01  -0.07
    92   1     0.00  -0.01   0.00     0.01   0.00  -0.01     0.01   0.01  -0.04
    93   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.04  -0.03   0.08
    94   1     0.05  -0.02   0.03    -0.15  -0.19  -0.43    -0.02  -0.03  -0.06
    95   1    -0.05   0.01  -0.02     0.13   0.28   0.58     0.03   0.03   0.08
    96   1     0.06   0.05   0.15    -0.04  -0.05  -0.10    -0.00   0.00  -0.02
    97   1    -0.00   0.02  -0.02     0.01   0.00  -0.01    -0.26  -0.10   0.13
    98   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.10   0.15  -0.05
    99   1     0.00   0.01  -0.00     0.00   0.01   0.00     0.00  -0.20   0.03
   100   1     0.00   0.02  -0.02     0.00   0.00   0.01    -0.13  -0.06  -0.28
   101   1     0.02   0.01  -0.04     0.01  -0.00   0.01     0.06  -0.04   0.07
   102   1     0.01  -0.00   0.00     0.00   0.00   0.00     0.05   0.02  -0.01
   103   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02  -0.06   0.03
   104   1     0.02   0.03  -0.05     0.00  -0.00  -0.01     0.05  -0.05  -0.08
   105   1    -0.05   0.03  -0.09    -0.12  -0.08  -0.03    -0.01  -0.01  -0.00
   106   1    -0.04   0.01   0.00    -0.01  -0.05  -0.01     0.00  -0.00  -0.00
   107   1    -0.05  -0.01  -0.01    -0.08   0.06  -0.04    -0.01   0.01  -0.01
   108   1    -0.06   0.00  -0.09    -0.09   0.01   0.11    -0.01   0.00   0.01
   109   1    -0.07   0.02   0.12     0.01  -0.00   0.01    -0.21   0.06  -0.15
   110   1     0.04  -0.02  -0.07    -0.00  -0.00  -0.00     0.07   0.03   0.08
   111   1     0.04  -0.01  -0.10     0.00  -0.00   0.00    -0.01   0.11  -0.05
   112   1    -0.05   0.03   0.10     0.00   0.00   0.00    -0.05  -0.06  -0.03
   113   1    -0.04   0.02   0.08     0.00  -0.00   0.00    -0.08   0.00  -0.02
   114   1     0.04  -0.01  -0.08    -0.00   0.00  -0.00     0.03  -0.10   0.06
   115   1     0.03  -0.01  -0.06    -0.00  -0.00   0.00     0.10   0.04  -0.02
   116   1    -0.04   0.03   0.11     0.01   0.01  -0.00    -0.16  -0.21   0.01
   117   1     0.04   0.07   0.17     0.00  -0.01   0.00     0.03  -0.08   0.03
   118   1    -0.03  -0.04  -0.10    -0.00   0.00  -0.00    -0.03   0.02  -0.02
   119   1    -0.03  -0.03  -0.13    -0.00  -0.00   0.00    -0.03  -0.02   0.02
   120   1     0.05   0.05   0.13     0.00  -0.00   0.00     0.02  -0.01   0.00
   121   1     0.06   0.07   0.18     0.00  -0.00  -0.00     0.01  -0.02  -0.00
   122   1    -0.03  -0.05  -0.18     0.00   0.00  -0.00     0.02   0.03  -0.02
   123   1    -0.04  -0.05  -0.14    -0.00   0.00   0.00    -0.02   0.02   0.02
   124   1     0.08   0.08   0.24     0.01  -0.00  -0.00     0.08  -0.01  -0.03
   125   1    -0.03   0.16   0.18    -0.13   0.02  -0.01    -0.01   0.00  -0.00
   126   1     0.00  -0.10  -0.10     0.05   0.01  -0.01     0.00   0.00  -0.00
   127   1    -0.04  -0.10  -0.15    -0.03   0.04  -0.05    -0.00   0.00  -0.00
   128   1    -0.00   0.15   0.12    -0.03  -0.01   0.02    -0.00  -0.00   0.00
   129   1    -0.01   0.22   0.21    -0.04   0.01   0.01    -0.00   0.00   0.00
   130   1    -0.01  -0.15  -0.23     0.03  -0.02   0.03     0.00  -0.00   0.00
   131   1    -0.01  -0.17  -0.17     0.04   0.00  -0.04     0.00  -0.00  -0.00
   132   1     0.04   0.28   0.27    -0.05  -0.06   0.09    -0.00  -0.00   0.01
   133   1     0.00   0.00   0.00     0.01  -0.00   0.01    -0.02  -0.00  -0.03
   134   1    -0.00  -0.00  -0.00     0.01  -0.00   0.02    -0.02   0.00  -0.02
   135   1     0.00  -0.00   0.00    -0.03   0.01  -0.02     0.05  -0.03   0.04
   136   1     0.00  -0.00  -0.00    -0.01   0.00   0.01     0.00  -0.01  -0.01
   137   1    -0.00   0.00  -0.00    -0.00   0.01   0.00     0.00  -0.01  -0.01
   138   1    -0.00   0.00   0.00     0.02  -0.10  -0.05    -0.00   0.02   0.01
   139   1    -0.00   0.00   0.00     0.02  -0.08  -0.05    -0.01   0.02   0.01
   140   1    -0.00   0.00  -0.00     0.01  -0.03   0.04    -0.00   0.01  -0.01
   141   1     0.00  -0.01  -0.01    -0.05   0.13   0.19     0.01  -0.03  -0.04
   142   1     0.00   0.00  -0.00    -0.01  -0.04   0.02     0.00   0.01  -0.01
   143  17    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
                    199                    200                    201
                      A                      A                      A
 Frequencies --    954.6287               956.1796               958.1484
 Red. masses --      5.8784                 3.2715                 2.0827
 Frc consts  --      3.1563                 1.7623                 1.1265
 IR Inten    --     14.4838                80.9924                76.2420
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.01  -0.01    -0.02  -0.01   0.00     0.01   0.00   0.00
     3   6     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.01  -0.00  -0.01     0.01  -0.01   0.00    -0.01   0.00  -0.00
     5   6     0.00  -0.00   0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.01  -0.00     0.00   0.02  -0.00    -0.00  -0.01   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00   0.00
     9   6     0.00   0.00  -0.00     0.00  -0.00   0.01     0.02   0.01   0.01
    10   6    -0.00  -0.01   0.01     0.01  -0.02   0.00    -0.01   0.00  -0.00
    11   6    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.01   0.01  -0.01
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.02   0.00
    14   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    15   7    -0.01   0.01  -0.01    -0.02   0.01  -0.01    -0.00  -0.00  -0.00
    16   6    -0.00  -0.00   0.00    -0.01   0.01   0.00    -0.01  -0.01   0.00
    17   6    -0.00   0.00   0.00     0.00   0.01   0.01    -0.00  -0.01  -0.02
    18   7    -0.01   0.01  -0.00     0.01  -0.00  -0.00    -0.01   0.00   0.01
    19   6     0.00  -0.01   0.00    -0.00  -0.02  -0.05     0.01   0.02   0.07
    20   6     0.00   0.00   0.00     0.03   0.01   0.07    -0.01  -0.04  -0.08
    21   6     0.01   0.00  -0.00    -0.02  -0.01  -0.00     0.01   0.01   0.01
    22   6     0.00  -0.00  -0.00    -0.02   0.00  -0.03     0.01   0.02   0.02
    23   6     0.01  -0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   6     0.01   0.00  -0.00    -0.00  -0.00   0.01    -0.00   0.00  -0.01
    26   6    -0.06   0.03   0.02     0.02  -0.01  -0.00     0.01  -0.01  -0.00
    27   6    -0.02   0.01   0.02     0.00  -0.00  -0.01     0.00  -0.00  -0.01
    28   6     0.05   0.02   0.02    -0.01  -0.01  -0.00    -0.01  -0.00  -0.00
    29   6     0.01  -0.02  -0.02    -0.00   0.00   0.01    -0.00   0.00   0.01
    30   6    -0.00  -0.06  -0.04     0.00   0.01   0.01     0.00   0.01   0.01
    31   6    -0.20  -0.06  -0.08     0.02   0.01   0.01     0.00  -0.00   0.00
    32   6    -0.05  -0.03  -0.06     0.01   0.01   0.01     0.00   0.00  -0.00
    33   6     0.14  -0.12   0.00    -0.02   0.01   0.00    -0.00   0.00  -0.00
    34   6     0.02   0.05   0.06    -0.00  -0.01  -0.01    -0.00  -0.00   0.00
    35   6     0.02   0.21   0.07    -0.00  -0.03  -0.01     0.00   0.00  -0.00
    36   6    -0.01  -0.03   0.00    -0.02  -0.12   0.01     0.00   0.04  -0.01
    37   6    -0.01  -0.01  -0.00    -0.00  -0.05  -0.04     0.01   0.01   0.02
    38   6     0.03   0.01  -0.01     0.09   0.03  -0.02    -0.03  -0.01   0.00
    39   6    -0.01   0.00   0.01    -0.01   0.04   0.02     0.00  -0.01  -0.00
    40   6    -0.03   0.02   0.01    -0.08   0.08   0.03     0.02  -0.03  -0.01
    41   7     0.22  -0.19   0.01    -0.03   0.02  -0.00    -0.00   0.00   0.00
    42   7     0.08   0.03   0.03    -0.02  -0.01  -0.01    -0.01  -0.01  -0.01
    43   7     0.04   0.01  -0.02     0.13   0.05  -0.06    -0.03  -0.02   0.02
    44   6     0.02   0.03   0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    45   6    -0.02   0.00  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    46   6    -0.01  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    47   6     0.03  -0.01   0.01    -0.01   0.00  -0.00    -0.01   0.00  -0.00
    48   6     0.11  -0.01  -0.02    -0.01   0.00   0.00    -0.00   0.00   0.00
    49   6    -0.02   0.05  -0.01     0.00  -0.01   0.00     0.00  -0.00   0.00
    50   6    -0.05   0.02   0.01     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    51   6     0.02  -0.11   0.02    -0.00   0.01  -0.00    -0.00   0.00   0.00
    52   6     0.01   0.01  -0.01     0.03   0.04  -0.04    -0.01  -0.02   0.01
    53   6    -0.01  -0.00   0.00    -0.03  -0.00   0.00     0.01   0.00  -0.00
    54   6    -0.01  -0.00   0.00    -0.02  -0.01   0.01     0.00   0.00  -0.00
    55   6     0.02  -0.00   0.00     0.05  -0.01   0.00    -0.01   0.00   0.00
    56   6    -0.04  -0.02  -0.01     0.01   0.01   0.00     0.01   0.00   0.00
    57   6     0.02  -0.01   0.01    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    58   6    -0.00   0.04  -0.01     0.00  -0.01   0.00     0.00  -0.01   0.00
    59   6    -0.02  -0.01  -0.01     0.01   0.00   0.00     0.00   0.00   0.00
    60   6    -0.02  -0.01  -0.01     0.01   0.00   0.00     0.00   0.00   0.00
    61   6     0.02  -0.03   0.01    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    62   6     0.01   0.02   0.01    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    63   6    -0.04  -0.01  -0.02     0.01   0.00   0.00     0.01   0.00   0.00
    64   6    -0.13   0.09   0.01     0.02  -0.01  -0.00     0.00  -0.00   0.00
    65   6     0.02  -0.08   0.01    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    66   6     0.10   0.06  -0.04    -0.01  -0.01   0.00     0.00   0.00   0.00
    67   6    -0.07   0.04   0.01     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    68   6    -0.05   0.06  -0.01     0.01  -0.01   0.00     0.00  -0.00  -0.00
    69   6    -0.05  -0.10   0.04     0.01   0.01  -0.00     0.00   0.00  -0.00
    70   6     0.09  -0.01  -0.01    -0.01   0.00   0.00    -0.00   0.00   0.00
    71   6    -0.11   0.11  -0.02     0.01  -0.01   0.00     0.00  -0.00  -0.00
    72   6    -0.02  -0.01   0.01    -0.06  -0.03   0.04     0.02   0.00  -0.01
    73   6     0.01  -0.00  -0.00     0.04  -0.01  -0.00    -0.01   0.00   0.00
    74   6    -0.00   0.01  -0.01    -0.01   0.04  -0.03     0.00  -0.01   0.01
    75   6    -0.01  -0.00   0.01    -0.03  -0.02   0.02     0.01   0.01  -0.01
    76   6    -0.01  -0.00   0.00    -0.04  -0.01   0.01     0.01   0.00  -0.00
    77   6     0.01  -0.01   0.01     0.04  -0.04   0.03    -0.02   0.01  -0.01
    78   6     0.01   0.01  -0.01     0.02   0.03  -0.03    -0.01  -0.01   0.01
    79   6    -0.02  -0.01   0.01    -0.08  -0.02   0.02     0.03   0.01  -0.01
    80   8     0.01   0.00  -0.00     0.03   0.01  -0.02     0.03   0.00  -0.02
    81  15     0.00  -0.01   0.00     0.01  -0.05  -0.01     0.02  -0.03   0.01
    82   8    -0.01  -0.00  -0.01    -0.02  -0.01  -0.04    -0.06  -0.03  -0.09
    83   8    -0.01   0.03   0.01    -0.04   0.16   0.04    -0.02   0.11   0.03
    84   6    -0.01   0.00  -0.00    -0.03   0.01  -0.02    -0.05   0.03  -0.02
    85   6     0.01   0.00   0.01     0.03   0.00   0.04     0.05   0.01   0.09
    86   6    -0.00   0.00   0.02    -0.02   0.01   0.08    -0.02   0.01   0.06
    87   6     0.00  -0.02  -0.01     0.02  -0.11  -0.04     0.02  -0.09  -0.03
    88   1     0.01   0.01   0.08    -0.02   0.00  -0.02     0.01  -0.00  -0.00
    89   1    -0.01   0.01  -0.06     0.00   0.00   0.01     0.00  -0.00  -0.00
    90   1    -0.01  -0.01  -0.00    -0.00   0.02   0.00    -0.00  -0.01   0.00
    91   1     0.01  -0.00  -0.02    -0.00   0.00   0.01    -0.02   0.00   0.00
    92   1     0.01   0.01  -0.02    -0.01  -0.00  -0.00     0.00  -0.01  -0.04
    93   1    -0.02  -0.02   0.03     0.01   0.01  -0.00    -0.00  -0.00   0.02
    94   1     0.02  -0.01   0.01     0.09   0.12   0.28    -0.10  -0.19  -0.40
    95   1    -0.00  -0.01  -0.03    -0.06  -0.21  -0.42     0.12   0.25   0.51
    96   1     0.01   0.01   0.02     0.02   0.09   0.13    -0.01  -0.06  -0.13
    97   1    -0.08  -0.03   0.04     0.02   0.01  -0.01     0.01   0.01  -0.01
    98   1    -0.03   0.05  -0.01     0.01  -0.02   0.00     0.01  -0.02   0.01
    99   1     0.01  -0.06   0.01    -0.00   0.01   0.00    -0.00   0.01  -0.00
   100   1    -0.04  -0.02  -0.09     0.01   0.01   0.02     0.01   0.00   0.02
   101   1    -0.18   0.12  -0.22     0.02  -0.01   0.03     0.00   0.00  -0.00
   102   1    -0.15  -0.09   0.04     0.02   0.02  -0.01    -0.00  -0.00   0.00
   103   1     0.08   0.18  -0.08    -0.01  -0.02   0.01     0.00   0.00  -0.01
   104   1    -0.16   0.16   0.23     0.02  -0.02  -0.03    -0.00  -0.00   0.00
   105   1    -0.04  -0.02  -0.02    -0.13  -0.08  -0.11     0.04   0.02   0.07
   106   1     0.00  -0.03   0.03     0.06  -0.10   0.13    -0.04   0.05  -0.10
   107   1    -0.03   0.02  -0.01    -0.05   0.07  -0.03    -0.00  -0.02  -0.01
   108   1    -0.02   0.00   0.05    -0.08   0.02   0.14     0.02  -0.01  -0.04
   109   1    -0.07   0.02  -0.05     0.02  -0.00   0.01     0.01  -0.00   0.01
   110   1     0.02   0.01   0.03    -0.01  -0.00  -0.01    -0.00  -0.00  -0.01
   111   1    -0.00   0.03  -0.02     0.00  -0.01   0.00     0.00  -0.01   0.00
   112   1    -0.02  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
   113   1    -0.02   0.00  -0.01     0.01   0.00   0.00     0.00  -0.00   0.00
   114   1     0.01  -0.03   0.02    -0.00   0.01  -0.01    -0.00   0.00  -0.01
   115   1     0.03   0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.00   0.00
   116   1    -0.05  -0.07   0.00     0.01   0.02  -0.00     0.01   0.01  -0.00
   117   1    -0.08   0.24  -0.10     0.01  -0.03   0.01    -0.00  -0.00  -0.00
   118   1     0.08  -0.06   0.05    -0.01   0.01  -0.01    -0.00   0.00   0.00
   119   1     0.08   0.07  -0.07    -0.01  -0.01   0.01    -0.00  -0.00  -0.00
   120   1    -0.07   0.02  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
   121   1    -0.03   0.07   0.00     0.00  -0.01  -0.00     0.00   0.00   0.00
   122   1    -0.05  -0.08   0.07     0.01   0.01  -0.01     0.00   0.00   0.00
   123   1     0.07  -0.07  -0.06    -0.01   0.01   0.01    -0.00  -0.00  -0.00
   124   1    -0.24   0.04   0.10     0.03  -0.01  -0.01     0.00   0.00   0.00
   125   1    -0.04   0.00  -0.01    -0.13  -0.00  -0.04     0.03   0.01   0.02
   126   1     0.02   0.01   0.00     0.05   0.04   0.02    -0.01  -0.02  -0.02
   127   1    -0.01   0.01  -0.02    -0.02   0.03  -0.05     0.00   0.00   0.02
   128   1    -0.01  -0.01   0.00    -0.03  -0.03   0.01     0.00   0.01  -0.01
   129   1    -0.01   0.00   0.00    -0.04  -0.00   0.01     0.01   0.00  -0.00
   130   1     0.01  -0.01   0.01     0.04  -0.03   0.05    -0.01   0.01  -0.02
   131   1     0.01   0.00  -0.01     0.04   0.01  -0.04    -0.01  -0.00   0.01
   132   1    -0.02  -0.02   0.03    -0.07  -0.08   0.10     0.02   0.03  -0.03
   133   1    -0.02  -0.00  -0.02    -0.05  -0.00  -0.07    -0.10  -0.00  -0.14
   134   1    -0.01   0.00  -0.02    -0.04   0.00  -0.06    -0.08   0.01  -0.10
   135   1     0.04  -0.02   0.03     0.13  -0.06   0.09     0.25  -0.12   0.18
   136   1     0.00  -0.00  -0.01     0.01  -0.01  -0.03     0.02  -0.03  -0.06
   137   1     0.00  -0.01  -0.00     0.01  -0.03  -0.02     0.02  -0.07  -0.03
   138   1    -0.01   0.03   0.02    -0.03   0.17   0.09    -0.02   0.12   0.07
   139   1    -0.01   0.03   0.02    -0.04   0.14   0.09    -0.03   0.11   0.07
   140   1    -0.00   0.01  -0.01    -0.02   0.05  -0.06    -0.01   0.04  -0.05
   141   1     0.02  -0.05  -0.07     0.09  -0.22  -0.33     0.07  -0.17  -0.25
   142   1     0.00   0.01  -0.01     0.02   0.06  -0.04     0.02   0.05  -0.03
   143  17     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    202                    203                    204
                      A                      A                      A
 Frequencies --    971.5259               971.9634               972.0817
 Red. masses --      1.3584                 1.3354                 1.2827
 Frc consts  --      0.7554                 0.7433                 0.7142
 IR Inten    --     21.1093                 9.8932                 2.3297
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   6     0.00   0.00  -0.01     0.00   0.00  -0.02     0.00   0.00  -0.01
    14   6    -0.01  -0.00   0.02    -0.01  -0.00   0.02    -0.00  -0.00   0.01
    15   7    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    16   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   7     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   6     0.00   0.00   0.00     0.00   0.00   0.01     0.00   0.00   0.00
    20   6     0.00   0.00   0.00    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    21   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.01
    24   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    25   6     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   6     0.00   0.01  -0.01     0.01   0.03  -0.04     0.00   0.01  -0.01
    27   6    -0.00  -0.01   0.01    -0.00  -0.03   0.04    -0.00  -0.01   0.01
    28   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    29   6     0.00   0.00  -0.00     0.00   0.01  -0.00     0.00  -0.00   0.00
    30   6     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00   0.00   0.00
    31   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.01   0.02
    32   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.01
    33   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.01
    34   6     0.00   0.00  -0.00     0.01   0.01  -0.01    -0.02  -0.02   0.04
    35   6    -0.00  -0.00   0.00    -0.01  -0.00   0.01     0.02   0.01  -0.05
    36   6    -0.03   0.00  -0.05     0.01   0.00   0.01     0.00  -0.00   0.00
    37   6     0.02  -0.01   0.05    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    38   6     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    39   6    -0.00   0.01  -0.00     0.00  -0.00   0.01     0.00   0.00   0.00
    40   6    -0.00   0.01   0.01    -0.00  -0.00  -0.01    -0.00   0.00  -0.00
    41   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
    42   7    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    43   7     0.02  -0.00   0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    44   6    -0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.00  -0.00   0.00
    45   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    46   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    47   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    48   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.01
    49   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    50   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    51   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    52   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    53   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    54   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    55   6     0.01   0.00   0.01    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    56   6    -0.00  -0.00   0.00    -0.00   0.00   0.01    -0.00  -0.00   0.00
    57   6     0.00  -0.00  -0.00     0.01  -0.00  -0.02     0.00  -0.00  -0.00
    58   6    -0.00   0.00   0.00    -0.01   0.01   0.02    -0.00   0.00   0.00
    59   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.00   0.00  -0.00
    60   6    -0.00   0.00   0.01    -0.01   0.01   0.03    -0.00   0.00   0.01
    61   6     0.00  -0.00  -0.01     0.02  -0.00  -0.06     0.01  -0.00  -0.02
    62   6    -0.01   0.00   0.01    -0.03   0.01   0.05    -0.01   0.00   0.02
    63   6     0.01  -0.00  -0.01     0.02  -0.00  -0.03     0.01  -0.00  -0.01
    64   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.02
    65   6     0.00   0.00   0.00     0.00   0.00   0.01    -0.01  -0.01  -0.04
    66   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.01   0.01   0.04
    67   6    -0.00   0.00   0.00     0.00   0.00   0.01    -0.00  -0.01  -0.02
    68   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.01   0.01   0.03
    69   6     0.00   0.00   0.00     0.00   0.00   0.02    -0.01  -0.01  -0.06
    70   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.02     0.01   0.02   0.06
    71   6    -0.00   0.00   0.00     0.00   0.01   0.01    -0.00  -0.02  -0.03
    72   6    -0.01  -0.03  -0.03     0.00   0.01   0.01     0.00   0.00   0.00
    73   6     0.01   0.04   0.05    -0.00  -0.02  -0.02    -0.00  -0.00  -0.00
    74   6    -0.01  -0.04  -0.06     0.00   0.01   0.02     0.00   0.00   0.00
    75   6    -0.00   0.02   0.03     0.00  -0.01  -0.01     0.00  -0.00  -0.00
    76   6    -0.01  -0.01  -0.01     0.00   0.01   0.01     0.00   0.00   0.00
    77   6     0.00   0.02   0.02    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    78   6     0.00  -0.01  -0.02    -0.00   0.01   0.01     0.00   0.00   0.00
    79   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.00  -0.00  -0.00
    80   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    81  15    -0.01  -0.01  -0.02    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00
    82   8     0.02   0.01   0.04     0.02   0.01   0.03     0.01   0.00   0.01
    83   8    -0.01   0.03   0.01    -0.01   0.02   0.01    -0.00   0.01   0.00
    84   6     0.02  -0.01   0.01     0.02  -0.01   0.00     0.00  -0.00   0.00
    85   6    -0.02  -0.00  -0.03    -0.01  -0.00  -0.02    -0.00  -0.00  -0.01
    86   6    -0.00   0.00   0.01    -0.00   0.00   0.01    -0.00   0.00   0.00
    87   6     0.00  -0.02  -0.01     0.00  -0.01  -0.01     0.00  -0.00  -0.00
    88   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00  -0.01  -0.03
    89   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    90   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.01
    91   1     0.01   0.00  -0.01     0.01   0.01  -0.01     0.00  -0.00  -0.00
    92   1    -0.03  -0.01   0.09    -0.03  -0.02   0.11    -0.01  -0.00   0.03
    93   1     0.04   0.03  -0.10     0.05   0.04  -0.15     0.02   0.01  -0.04
    94   1     0.00  -0.01  -0.03    -0.02  -0.03  -0.07    -0.01  -0.00  -0.01
    95   1    -0.00  -0.01  -0.01     0.01   0.03   0.07     0.00   0.00   0.01
    96   1    -0.00  -0.00  -0.01    -0.00  -0.01  -0.01    -0.00   0.00  -0.00
    97   1     0.00  -0.06   0.07     0.01  -0.21   0.24     0.00  -0.06   0.07
    98   1    -0.00   0.06  -0.06     0.00   0.20  -0.22     0.00   0.06  -0.07
    99   1     0.00   0.00   0.00     0.00  -0.01   0.02     0.00   0.01  -0.01
   100   1     0.00   0.01  -0.01     0.01   0.04  -0.03     0.00  -0.00   0.01
   101   1    -0.00  -0.00   0.00    -0.01  -0.01   0.02     0.06   0.04  -0.09
   102   1     0.00  -0.00  -0.00     0.00   0.00  -0.01    -0.02  -0.03   0.07
   103   1    -0.01  -0.01   0.02    -0.03  -0.03   0.07     0.11   0.11  -0.24
   104   1     0.01   0.01  -0.02     0.03   0.04  -0.08    -0.11  -0.14   0.26
   105   1     0.14  -0.08   0.33    -0.03   0.02  -0.07     0.00  -0.00  -0.00
   106   1    -0.14   0.06  -0.30     0.03  -0.01   0.06     0.00  -0.00  -0.00
   107   1     0.00   0.00   0.01    -0.02   0.01  -0.04    -0.00   0.00  -0.01
   108   1    -0.03   0.01  -0.03     0.03  -0.01   0.05     0.01  -0.00   0.01
   109   1     0.01  -0.00  -0.01     0.04  -0.02  -0.08     0.00  -0.00  -0.01
   110   1    -0.01   0.00   0.02    -0.06   0.02   0.14    -0.01   0.00   0.02
   111   1     0.01  -0.00  -0.03     0.07  -0.03  -0.16     0.01  -0.00  -0.03
   112   1    -0.01   0.01   0.02    -0.05   0.03   0.10    -0.01   0.01   0.02
   113   1     0.02  -0.01  -0.05     0.10  -0.04  -0.21     0.03  -0.01  -0.06
   114   1    -0.04   0.02   0.08    -0.17   0.09   0.37    -0.05   0.03   0.11
   115   1     0.04  -0.02  -0.08     0.16  -0.07  -0.36     0.05  -0.02  -0.11
   116   1    -0.02   0.01   0.06    -0.10   0.06   0.24    -0.03   0.02   0.07
   117   1     0.00   0.00   0.00     0.01   0.01   0.03    -0.04  -0.06  -0.15
   118   1    -0.00  -0.00  -0.01    -0.01  -0.02  -0.05     0.06   0.08   0.24
   119   1     0.00   0.00   0.01     0.02   0.02   0.06    -0.07  -0.09  -0.26
   120   1    -0.00  -0.00  -0.01    -0.01  -0.01  -0.04     0.05   0.06   0.16
   121   1     0.00   0.00   0.01     0.01   0.02   0.06    -0.06  -0.08  -0.23
   122   1    -0.01  -0.01  -0.02    -0.03  -0.04  -0.11     0.12   0.14   0.40
   123   1     0.01   0.01   0.02     0.03   0.03   0.10    -0.10  -0.13  -0.38
   124   1    -0.01  -0.00  -0.02    -0.02  -0.02  -0.07     0.08   0.08   0.25
   125   1    -0.01   0.20   0.22     0.00  -0.07  -0.07    -0.00  -0.00  -0.00
   126   1    -0.02  -0.30  -0.33     0.01   0.10   0.11     0.00   0.01   0.01
   127   1     0.01   0.32   0.33    -0.01  -0.11  -0.12    -0.00  -0.01  -0.01
   128   1    -0.02  -0.18  -0.20     0.01   0.07   0.07     0.00   0.01   0.01
   129   1    -0.00   0.07   0.07    -0.00  -0.05  -0.05    -0.00  -0.01  -0.01
   130   1    -0.00  -0.10  -0.12     0.00   0.07   0.08     0.00   0.01   0.01
   131   1     0.01   0.09   0.10    -0.01  -0.07  -0.07    -0.00  -0.01  -0.01
   132   1    -0.00  -0.05  -0.05     0.01   0.04   0.04     0.00   0.01   0.01
   133   1     0.03   0.00   0.06     0.03   0.00   0.05     0.01   0.00   0.01
   134   1     0.03  -0.00   0.04     0.02  -0.00   0.03     0.01  -0.00   0.01
   135   1    -0.08   0.04  -0.06    -0.07   0.03  -0.05    -0.02   0.01  -0.01
   136   1    -0.01   0.01   0.02    -0.01   0.01   0.01    -0.00   0.00   0.00
   137   1    -0.01   0.02   0.01    -0.01   0.02   0.01    -0.00   0.00   0.00
   138   1    -0.00   0.03   0.01    -0.00   0.03   0.01    -0.00   0.01   0.00
   139   1    -0.01   0.02   0.01    -0.01   0.02   0.01    -0.00   0.01   0.00
   140   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00   0.00  -0.00
   141   1     0.01  -0.03  -0.04     0.01  -0.03  -0.04     0.00  -0.01  -0.01
   142   1     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00   0.00  -0.00
   143  17     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
                    205                    206                    207
                      A                      A                      A
 Frequencies --    972.5593               972.7452               972.9213
 Red. masses --      1.4660                 1.2737                 1.3937
 Frc consts  --      0.8170                 0.7101                 0.7772
 IR Inten    --     50.0998                 0.2350                33.5382
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.01    -0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.01    -0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.01     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.01
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.01   0.00  -0.03    -0.00   0.00  -0.00     0.00   0.00  -0.02
    14   6    -0.01  -0.00   0.03     0.00  -0.00   0.00    -0.01  -0.00   0.02
    15   7    -0.00  -0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    18   7     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   6     0.00   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.02
    20   6     0.00  -0.01  -0.01     0.00  -0.00  -0.00    -0.00  -0.01  -0.02
    21   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    22   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   6    -0.00   0.00  -0.00    -0.01  -0.01   0.01    -0.00   0.00  -0.00
    24   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.01   0.01
    25   6     0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.01
    26   6    -0.01  -0.00   0.01    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    27   6    -0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.01
    28   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.01
    29   6     0.00  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.02   0.02
    30   6    -0.00   0.01  -0.02     0.00   0.00  -0.00    -0.00   0.02  -0.03
    31   6    -0.00  -0.00   0.00     0.02   0.02  -0.04    -0.00  -0.00   0.00
    32   6     0.00  -0.00  -0.00    -0.02  -0.02   0.04     0.00   0.00  -0.00
    33   6    -0.00  -0.00   0.00     0.01   0.01  -0.02    -0.00  -0.00   0.00
    34   6     0.00   0.00  -0.00    -0.01  -0.02   0.04     0.00   0.00  -0.00
    35   6    -0.00  -0.00   0.00     0.02   0.02  -0.03    -0.00  -0.00   0.00
    36   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.01  -0.01   0.02
    37   6     0.01  -0.00   0.02     0.00  -0.00   0.00    -0.01   0.01  -0.02
    38   6    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.01   0.00   0.01
    39   6     0.02  -0.01   0.04     0.00   0.00   0.00    -0.01   0.00  -0.03
    40   6    -0.02   0.01  -0.04    -0.00   0.00  -0.00     0.01  -0.01   0.03
    41   7     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.00   0.00  -0.00
    42   7     0.01   0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    43   7     0.00  -0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
    44   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    45   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    46   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    47   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    48   6     0.00  -0.00  -0.00    -0.01   0.00   0.01     0.00  -0.00  -0.00
    49   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    50   6     0.00   0.00   0.00    -0.00  -0.00  -0.01     0.00   0.00   0.00
    51   6    -0.00   0.00  -0.00     0.00  -0.01   0.01    -0.00   0.00  -0.00
    52   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.01
    53   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    54   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    55   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.01  -0.00  -0.00
    56   6     0.00  -0.01  -0.02     0.00  -0.00  -0.00     0.01  -0.01  -0.03
    57   6    -0.01   0.00   0.03    -0.00   0.00   0.01    -0.02   0.01   0.05
    58   6     0.01  -0.00  -0.03     0.00   0.00  -0.01     0.02   0.00  -0.05
    59   6    -0.01   0.00   0.01    -0.00   0.00   0.00    -0.01   0.01   0.02
    60   6     0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.00   0.00  -0.01
    61   6    -0.01   0.00   0.02     0.00   0.00  -0.00    -0.00   0.00   0.00
    62   6     0.01  -0.00  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
    63   6    -0.01   0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    64   6     0.00   0.00   0.00    -0.02  -0.01  -0.04     0.00   0.00   0.00
    65   6    -0.00  -0.00  -0.00     0.02   0.02   0.06    -0.00  -0.00  -0.00
    66   6     0.00   0.00   0.00    -0.01  -0.01  -0.07     0.00   0.00   0.00
    67   6    -0.00  -0.00  -0.00     0.01   0.01   0.03    -0.00  -0.00  -0.00
    68   6    -0.00  -0.00  -0.00     0.00   0.01   0.01    -0.00  -0.00  -0.00
    69   6    -0.00  -0.00   0.00    -0.00   0.00  -0.03     0.00   0.00   0.00
    70   6    -0.00  -0.00  -0.00     0.00   0.01   0.03    -0.00  -0.00  -0.00
    71   6    -0.00   0.00   0.00     0.00  -0.01  -0.02     0.00   0.00   0.00
    72   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    73   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
    74   6    -0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.02
    75   6     0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.01  -0.00
    76   6     0.00   0.02   0.02    -0.00   0.00   0.00     0.00  -0.02  -0.02
    77   6    -0.01  -0.03  -0.05    -0.00  -0.00  -0.00     0.01   0.03   0.04
    78   6     0.00   0.04   0.05     0.00   0.00   0.00    -0.00  -0.03  -0.03
    79   6     0.01  -0.02  -0.03     0.00  -0.00  -0.00    -0.00   0.02   0.02
    80   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    81  15    -0.01  -0.02  -0.03    -0.00  -0.00  -0.00    -0.01  -0.02  -0.02
    82   8     0.04   0.02   0.06     0.00   0.00   0.00     0.03   0.01   0.05
    83   8    -0.01   0.04   0.02    -0.00   0.00   0.00    -0.01   0.03   0.01
    84   6     0.03  -0.01   0.01     0.00  -0.00   0.00     0.02  -0.01   0.01
    85   6    -0.03  -0.00  -0.04    -0.00  -0.00  -0.00    -0.02  -0.00  -0.03
    86   6    -0.01   0.00   0.02    -0.00  -0.00   0.00    -0.00   0.00   0.02
    87   6     0.01  -0.02  -0.01     0.00  -0.00  -0.00     0.00  -0.02  -0.01
    88   1    -0.00   0.00   0.00     0.00  -0.01  -0.04    -0.00  -0.00   0.00
    89   1     0.00   0.00   0.00     0.01  -0.02  -0.06     0.00   0.00   0.01
    90   1     0.00  -0.00  -0.00    -0.00   0.01   0.02     0.00   0.00  -0.01
    91   1     0.01   0.01  -0.02     0.00  -0.00  -0.00     0.01   0.01  -0.03
    92   1    -0.05  -0.02   0.14    -0.00   0.00   0.01    -0.04  -0.02   0.12
    93   1     0.06   0.04  -0.15     0.00  -0.00  -0.01     0.05   0.04  -0.15
    94   1    -0.02  -0.03  -0.09    -0.00  -0.00  -0.00    -0.02  -0.05  -0.09
    95   1     0.01   0.02   0.06     0.00   0.00   0.00     0.02   0.05   0.10
    96   1    -0.00  -0.01  -0.04    -0.00  -0.00  -0.00     0.00   0.00   0.01
    97   1    -0.01   0.04  -0.04    -0.00  -0.02   0.02    -0.01  -0.06   0.07
    98   1    -0.01  -0.02   0.03     0.00   0.02  -0.02    -0.00   0.08  -0.08
    99   1     0.00   0.06  -0.07     0.00   0.02  -0.02     0.00   0.14  -0.15
   100   1    -0.00  -0.08   0.08    -0.00  -0.02   0.02    -0.00  -0.15   0.16
   101   1     0.00   0.00  -0.01    -0.12  -0.13   0.26     0.01   0.01  -0.01
   102   1    -0.00  -0.01   0.01     0.11   0.13  -0.25    -0.01  -0.01   0.01
   103   1    -0.00  -0.00   0.01     0.10   0.11  -0.22    -0.01  -0.01   0.02
   104   1     0.00   0.00  -0.01    -0.09  -0.10   0.21     0.01   0.01  -0.02
   105   1     0.05  -0.02   0.10     0.00  -0.00   0.00    -0.06   0.03  -0.12
   106   1    -0.05   0.03  -0.12    -0.00   0.00  -0.00     0.05  -0.03   0.12
   107   1    -0.11   0.06  -0.25    -0.00   0.00  -0.00     0.08  -0.05   0.18
   108   1     0.12  -0.06   0.25     0.00  -0.00   0.00    -0.09   0.04  -0.19
   109   1    -0.06   0.02   0.11    -0.01   0.00   0.02    -0.10   0.04   0.20
   110   1     0.08  -0.03  -0.17     0.02  -0.01  -0.04     0.14  -0.06  -0.30
   111   1    -0.09   0.04   0.18    -0.02   0.01   0.04    -0.15   0.07   0.31
   112   1     0.05  -0.02  -0.11     0.01  -0.00  -0.02     0.08  -0.03  -0.19
   113   1    -0.05   0.02   0.10     0.00  -0.00  -0.01    -0.02   0.01   0.02
   114   1     0.07  -0.03  -0.15    -0.01   0.00   0.02     0.01   0.00  -0.02
   115   1    -0.06   0.03   0.14     0.01  -0.00  -0.02    -0.00   0.00   0.01
   116   1     0.04  -0.02  -0.09    -0.01   0.00   0.01    -0.00   0.00   0.01
   117   1    -0.00  -0.00  -0.01     0.06   0.10   0.27    -0.00  -0.00  -0.01
   118   1     0.00   0.01   0.02    -0.11  -0.13  -0.40     0.00   0.01   0.02
   119   1    -0.00  -0.01  -0.02     0.11   0.15   0.40    -0.00  -0.01  -0.02
   120   1     0.00   0.00   0.01    -0.06  -0.07  -0.23     0.00   0.00   0.01
   121   1     0.00   0.00   0.00    -0.01  -0.02  -0.08     0.00   0.00   0.01
   122   1    -0.00  -0.00  -0.01     0.05   0.06   0.16    -0.01  -0.01  -0.02
   123   1     0.00   0.00   0.01    -0.05  -0.06  -0.18     0.01   0.01   0.02
   124   1    -0.00  -0.00  -0.00     0.05   0.04   0.13    -0.00  -0.00  -0.01
   125   1    -0.00   0.00   0.01    -0.00   0.00   0.00     0.00  -0.06  -0.07
   126   1    -0.00   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.09   0.09
   127   1    -0.01  -0.02  -0.03    -0.00   0.00   0.00     0.00  -0.08  -0.08
   128   1    -0.00   0.03   0.02    -0.00  -0.00  -0.00     0.01   0.04   0.05
   129   1    -0.01  -0.15  -0.18    -0.00  -0.00  -0.00     0.01   0.11   0.13
   130   1     0.01   0.28   0.29     0.00   0.00   0.00    -0.01  -0.21  -0.22
   131   1    -0.02  -0.26  -0.28    -0.00  -0.00  -0.00     0.01   0.20   0.21
   132   1     0.02   0.18   0.18     0.00   0.00   0.00    -0.02  -0.14  -0.14
   133   1     0.05   0.01   0.09     0.00   0.00   0.00     0.04   0.01   0.07
   134   1     0.05  -0.00   0.06     0.00  -0.00   0.00     0.04  -0.00   0.05
   135   1    -0.12   0.06  -0.09    -0.00   0.00  -0.00    -0.10   0.05  -0.07
   136   1    -0.01   0.01   0.03    -0.00   0.00   0.00    -0.01   0.01   0.02
   137   1    -0.01   0.03   0.01    -0.00   0.00   0.00    -0.01   0.02   0.01
   138   1    -0.01   0.05   0.02    -0.00   0.00   0.00    -0.01   0.04   0.01
   139   1    -0.01   0.03   0.02    -0.00   0.00   0.00    -0.01   0.03   0.02
   140   1    -0.00  -0.00  -0.02     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
   141   1     0.02  -0.04  -0.06     0.00  -0.00  -0.00     0.01  -0.03  -0.05
   142   1     0.00   0.00  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.01
   143  17     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                    208                    209                    210
                      A                      A                      A
 Frequencies --    973.2626               977.0180               977.6424
 Red. masses --      1.5285                 1.2939                 1.2835
 Frc consts  --      0.8530                 0.7277                 0.7228
 IR Inten    --     58.7973                 0.6992                 0.2665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.01
     2   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.01
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.01
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6     0.01   0.00  -0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   6    -0.01  -0.00   0.03     0.00  -0.00  -0.01     0.00  -0.00   0.00
    14   6     0.00   0.00  -0.03    -0.00  -0.00   0.01    -0.00   0.00  -0.00
    15   7    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    17   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   7     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    19   6    -0.00  -0.00  -0.02    -0.00  -0.00   0.01     0.00  -0.00   0.00
    20   6     0.01   0.01   0.02    -0.00  -0.01  -0.01    -0.00   0.00  -0.00
    21   6    -0.01  -0.00  -0.00     0.01   0.01   0.01     0.00   0.00  -0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    23   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01   0.01  -0.01
    24   6     0.00  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.00   0.00  -0.00
    26   6     0.00   0.02  -0.02     0.00   0.00  -0.00     0.00  -0.00   0.00
    27   6    -0.00  -0.02   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    28   6     0.00   0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.02   0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   6    -0.00   0.03  -0.03     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    32   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.02
    33   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.02
    34   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.03   0.03  -0.07
    35   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.03  -0.03   0.07
    36   6    -0.00   0.00  -0.01     0.04  -0.01   0.08     0.00   0.00   0.00
    37   6     0.00  -0.00   0.01    -0.04   0.02  -0.08    -0.00   0.00   0.00
    38   6    -0.00  -0.00  -0.00     0.00  -0.00   0.02     0.00   0.00   0.00
    39   6     0.01   0.00   0.01    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    40   6    -0.01   0.01  -0.01     0.01  -0.01  -0.01     0.00  -0.00   0.00
    41   7     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02   0.00  -0.01
    42   7     0.00  -0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    43   7     0.00  -0.00   0.00    -0.02   0.00  -0.01    -0.00   0.00  -0.00
    44   6    -0.00  -0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    45   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    46   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    47   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    48   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.00  -0.00
    49   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.01
    50   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    51   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    52   6    -0.00   0.00   0.00    -0.00   0.01  -0.00     0.00   0.00  -0.00
    53   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    54   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    55   6     0.00   0.00   0.00    -0.02   0.01  -0.00    -0.00   0.00  -0.00
    56   6     0.01  -0.01  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    57   6    -0.02   0.01   0.05     0.00  -0.00  -0.00    -0.00   0.00   0.00
    58   6     0.02  -0.00  -0.05    -0.00   0.00   0.00     0.00  -0.00  -0.00
    59   6    -0.01   0.01   0.02     0.00   0.00  -0.00    -0.00   0.00   0.00
    60   6    -0.01   0.00   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    61   6     0.01   0.00  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    62   6    -0.01   0.00   0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
    63   6     0.02  -0.00  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
    64   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.01  -0.01
    65   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.01   0.02
    66   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.02
    67   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.01
    68   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.04
    69   6     0.00   0.00   0.01     0.00   0.00   0.00    -0.02  -0.03  -0.05
    70   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.02   0.01   0.04
    71   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.02   0.00  -0.03
    72   6    -0.00  -0.01  -0.01     0.01  -0.01  -0.03     0.00  -0.00  -0.00
    73   6     0.00   0.01   0.01    -0.01   0.03   0.03    -0.00   0.00   0.00
    74   6    -0.00  -0.01  -0.01     0.00  -0.05  -0.03     0.00  -0.00  -0.00
    75   6     0.00   0.01   0.01     0.01   0.02   0.03     0.00   0.00   0.00
    76   6    -0.00   0.01   0.01     0.01   0.01   0.01     0.00   0.00   0.00
    77   6    -0.00  -0.01  -0.02     0.00  -0.02  -0.01     0.00  -0.00  -0.00
    78   6     0.00   0.01   0.01    -0.00   0.01   0.01     0.00   0.00   0.00
    79   6     0.00  -0.01  -0.01    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    80   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    81  15     0.01   0.02   0.04    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    82   8    -0.05  -0.02  -0.07     0.00   0.00   0.00     0.00   0.00   0.00
    83   8     0.01  -0.05  -0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    84   6    -0.03   0.02  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    85   6     0.03   0.00   0.05    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    86   6     0.01  -0.00  -0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
    87   6    -0.01   0.03   0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    88   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.04
    89   1    -0.00  -0.01  -0.01     0.00   0.00   0.00    -0.00   0.02   0.04
    90   1     0.00   0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.02
    91   1    -0.00  -0.00  -0.02     0.00   0.00  -0.00     0.00   0.00   0.00
    92   1     0.06   0.02  -0.16    -0.02  -0.01   0.05     0.01   0.00  -0.01
    93   1    -0.06  -0.05   0.15     0.02   0.02  -0.06    -0.01   0.00   0.02
    94   1     0.03   0.06   0.12    -0.02  -0.02  -0.04     0.00  -0.01  -0.00
    95   1    -0.02  -0.06  -0.11     0.02   0.04   0.07    -0.00   0.01   0.00
    96   1     0.00   0.01   0.01     0.00   0.00   0.01     0.00  -0.00   0.00
    97   1    -0.00  -0.14   0.14     0.00  -0.02   0.03     0.00   0.01  -0.01
    98   1     0.00   0.13  -0.14    -0.00   0.02  -0.03    -0.00  -0.01   0.01
    99   1    -0.01   0.15  -0.17     0.00   0.01  -0.01    -0.00  -0.03   0.03
   100   1    -0.00  -0.17   0.19     0.00  -0.00   0.00     0.00   0.02  -0.03
   101   1     0.01   0.01  -0.02    -0.00  -0.00   0.00     0.03   0.05  -0.09
   102   1    -0.01  -0.01   0.02     0.00   0.00  -0.00    -0.05  -0.06   0.11
   103   1    -0.01  -0.01   0.02     0.00   0.00  -0.00    -0.19  -0.21   0.42
   104   1     0.01   0.01  -0.02    -0.00  -0.00   0.00     0.17   0.21  -0.40
   105   1     0.03  -0.01   0.05    -0.21   0.12  -0.46    -0.00   0.00  -0.00
   106   1    -0.02   0.01  -0.05     0.22  -0.10   0.48     0.00  -0.00   0.01
   107   1    -0.03   0.02  -0.08     0.02  -0.02   0.05     0.00  -0.00   0.01
   108   1     0.04  -0.02   0.09     0.00   0.00  -0.03    -0.00   0.00  -0.01
   109   1    -0.11   0.04   0.21     0.00  -0.00  -0.01    -0.01   0.00   0.02
   110   1     0.14  -0.06  -0.31    -0.01   0.00   0.01     0.01  -0.00  -0.02
   111   1    -0.15   0.07   0.31     0.01  -0.00  -0.01    -0.01   0.00   0.03
   112   1     0.08  -0.03  -0.18    -0.00   0.00   0.01     0.01  -0.01  -0.02
   113   1     0.05  -0.02  -0.11    -0.01   0.01   0.02     0.00  -0.00  -0.01
   114   1    -0.09   0.05   0.20     0.01  -0.00  -0.03    -0.01   0.00   0.01
   115   1     0.09  -0.04  -0.20    -0.01   0.00   0.03     0.01  -0.00  -0.01
   116   1    -0.06   0.03   0.15     0.01  -0.00  -0.02    -0.00   0.00   0.01
   117   1    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.03   0.03   0.09
   118   1     0.01   0.01   0.02     0.00   0.00   0.00    -0.03  -0.04  -0.13
   119   1    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00     0.04   0.04   0.14
   120   1     0.00   0.00   0.01     0.00   0.00   0.00    -0.04  -0.04  -0.09
   121   1     0.01   0.01   0.02     0.00   0.00   0.00    -0.09  -0.10  -0.25
   122   1    -0.01  -0.01  -0.04    -0.00  -0.00  -0.00     0.08   0.11   0.35
   123   1     0.01   0.01   0.04     0.00   0.00   0.00    -0.07  -0.10  -0.29
   124   1    -0.01  -0.01  -0.03    -0.00  -0.00  -0.00     0.03   0.07   0.20
   125   1     0.00   0.05   0.06     0.04   0.13   0.15     0.00   0.00   0.00
   126   1    -0.00  -0.07  -0.08    -0.02  -0.21  -0.23    -0.00  -0.00  -0.00
   127   1     0.00   0.08   0.08     0.03   0.24   0.28     0.00   0.00   0.00
   128   1    -0.00  -0.04  -0.05     0.01  -0.20  -0.19     0.00  -0.00  -0.00
   129   1    -0.00  -0.05  -0.06     0.00  -0.06  -0.06    -0.00  -0.00  -0.00
   130   1     0.01   0.09   0.09     0.00   0.08   0.10     0.00   0.01   0.01
   131   1    -0.00  -0.09  -0.09    -0.01  -0.08  -0.09    -0.00  -0.00  -0.01
   132   1     0.01   0.06   0.07     0.00   0.06   0.06     0.00   0.00   0.00
   133   1    -0.06  -0.01  -0.11     0.00   0.00   0.01     0.00  -0.00   0.00
   134   1    -0.05   0.00  -0.07     0.00  -0.00   0.00     0.00  -0.00   0.00
   135   1     0.14  -0.07   0.10    -0.01   0.00  -0.01    -0.00   0.00  -0.00
   136   1     0.01  -0.01  -0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
   137   1     0.01  -0.04  -0.01    -0.00   0.00   0.00     0.00   0.00   0.00
   138   1     0.01  -0.06  -0.02    -0.00   0.01   0.00     0.00   0.00   0.00
   139   1     0.01  -0.04  -0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
   140   1     0.00   0.00   0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   141   1    -0.02   0.05   0.07     0.00  -0.00  -0.01     0.00  -0.00  -0.00
   142   1    -0.01  -0.00   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
   143  17    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
                    211                    212                    213
                      A                      A                      A
 Frequencies --    977.8754               978.5868               978.9174
 Red. masses --      1.3166                 1.3229                 1.3182
 Frc consts  --      0.7418                 0.7464                 0.7443
 IR Inten    --     13.0226                 2.5751                 0.7104
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.01
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00  -0.02
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.01
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    10   6     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00   0.00   0.01    -0.00   0.01   0.01    -0.00  -0.00   0.00
    14   6     0.01   0.00  -0.02     0.00   0.00  -0.01     0.00  -0.00  -0.00
    15   7     0.00   0.01  -0.00     0.00   0.01  -0.01     0.00  -0.00   0.00
    16   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   7    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    19   6     0.00  -0.00   0.01     0.00  -0.01   0.00    -0.00   0.00  -0.00
    20   6    -0.00   0.00  -0.01    -0.01   0.01  -0.00     0.00  -0.00   0.00
    21   6     0.00   0.00   0.00     0.01   0.01   0.00    -0.00  -0.00   0.00
    22   6     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
    24   6     0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   6     0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    26   6    -0.01  -0.05   0.06     0.00   0.01  -0.01    -0.00  -0.00   0.00
    27   6     0.00   0.05  -0.06     0.00  -0.01   0.01    -0.00   0.00  -0.00
    28   6     0.00  -0.01   0.02    -0.00   0.00  -0.00     0.00   0.00  -0.00
    29   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.01   0.01
    30   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00   0.01  -0.01
    31   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.02  -0.04   0.08
    32   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.04   0.04  -0.08
    33   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00   0.01
    34   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.02   0.03
    35   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.00  -0.04
    36   6     0.00  -0.00   0.01    -0.02  -0.01  -0.02    -0.00  -0.00  -0.00
    37   6    -0.00   0.00  -0.00     0.01  -0.00   0.02     0.00  -0.00  -0.00
    38   6     0.00  -0.00   0.00     0.01   0.00   0.01     0.00   0.00   0.00
    39   6    -0.00  -0.00  -0.00    -0.04   0.01  -0.09    -0.00   0.00  -0.00
    40   6     0.00  -0.00   0.00     0.03  -0.01   0.09     0.00   0.00   0.00
    41   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01   0.02  -0.01
    42   7     0.00   0.02  -0.01    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    43   7    -0.00   0.00  -0.00     0.01   0.01  -0.01     0.00   0.00  -0.00
    44   6     0.00   0.02   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    45   6    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    46   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    47   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    48   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    49   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    50   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    51   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.02  -0.00
    52   6     0.00   0.00  -0.00     0.01   0.01  -0.01     0.00   0.00  -0.00
    53   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    54   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    55   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    56   6     0.01   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    57   6    -0.01   0.00   0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
    58   6     0.01  -0.01  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    59   6    -0.01  -0.00   0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
    60   6    -0.02   0.00   0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
    61   6     0.03  -0.02  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
    62   6    -0.01   0.01   0.04     0.00  -0.00  -0.00     0.00   0.00   0.00
    63   6    -0.00  -0.01  -0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    64   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.01  -0.02
    65   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.02   0.03
    66   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.02  -0.02  -0.03
    67   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.03
    68   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.01  -0.01
    69   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.01
    70   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    71   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    72   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    73   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    74   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    75   6     0.00   0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    76   6     0.00   0.00   0.00    -0.00   0.02   0.03    -0.00   0.00   0.00
    77   6     0.00  -0.00  -0.00     0.01  -0.04  -0.03     0.00  -0.00  -0.00
    78   6     0.00   0.00   0.00     0.01   0.03   0.02     0.00   0.00   0.00
    79   6    -0.00  -0.00  -0.00    -0.02  -0.02  -0.01    -0.00  -0.00  -0.00
    80   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    81  15    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    82   8     0.02   0.01   0.02     0.00   0.00   0.00     0.00   0.00   0.00
    83   8    -0.00   0.02   0.01    -0.00   0.01   0.00    -0.00   0.00   0.00
    84   6     0.01  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    85   6    -0.01  -0.00  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    86   6    -0.00   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    87   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    88   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.01
    89   1     0.00   0.00   0.01     0.00   0.00   0.01    -0.01   0.03   0.13
    90   1    -0.00   0.00  -0.01    -0.00   0.00  -0.01     0.01  -0.02  -0.08
    91   1    -0.01  -0.01   0.02     0.00  -0.01   0.00     0.00  -0.00  -0.01
    92   1     0.02   0.01  -0.08     0.02   0.02  -0.05     0.00  -0.00  -0.00
    93   1    -0.05  -0.03   0.13    -0.03  -0.02   0.06    -0.00  -0.00   0.00
    94   1    -0.01  -0.02  -0.04     0.01  -0.01  -0.00    -0.01   0.01   0.00
    95   1     0.01   0.02   0.03    -0.00   0.01   0.01     0.00  -0.01   0.00
    96   1    -0.00  -0.00  -0.00    -0.00   0.01   0.04    -0.00   0.01   0.00
    97   1    -0.01   0.33  -0.37     0.00  -0.03   0.04    -0.00   0.01  -0.02
    98   1    -0.00  -0.35   0.38     0.00   0.03  -0.04    -0.00  -0.01   0.01
    99   1    -0.00  -0.09   0.09    -0.00  -0.01   0.01    -0.00   0.04  -0.05
   100   1    -0.01   0.06  -0.08     0.00   0.01  -0.01    -0.00  -0.04   0.05
   101   1    -0.00  -0.00   0.01    -0.01  -0.01   0.02     0.23   0.23  -0.47
   102   1     0.00   0.01  -0.01     0.01   0.01  -0.02    -0.21  -0.24   0.48
   103   1     0.01   0.01  -0.02     0.00   0.00  -0.01     0.06   0.07  -0.15
   104   1    -0.01  -0.01   0.02    -0.00  -0.00   0.01    -0.07  -0.10   0.16
   105   1    -0.02   0.01  -0.03     0.04  -0.04   0.12     0.00  -0.00   0.00
   106   1     0.01  -0.01   0.04    -0.05   0.02  -0.09     0.00  -0.00  -0.00
   107   1     0.01  -0.01   0.02     0.23  -0.12   0.52     0.01  -0.00   0.02
   108   1    -0.01   0.00  -0.02    -0.25   0.11  -0.51    -0.01   0.01  -0.02
   109   1    -0.03   0.02   0.09     0.00  -0.00   0.00     0.00  -0.00  -0.02
   110   1     0.05  -0.02  -0.12     0.00  -0.00  -0.00    -0.01   0.00   0.02
   111   1    -0.05   0.02   0.13    -0.00   0.00   0.01     0.01  -0.00  -0.03
   112   1     0.04  -0.03  -0.08     0.00  -0.00  -0.01    -0.01   0.01   0.02
   113   1     0.11  -0.08  -0.23    -0.01   0.01   0.02     0.00  -0.00  -0.01
   114   1    -0.14   0.05   0.32     0.01  -0.00  -0.02    -0.00   0.00   0.01
   115   1     0.13  -0.04  -0.26    -0.01   0.00   0.02     0.00  -0.00  -0.00
   116   1    -0.09   0.01   0.17     0.01  -0.00  -0.01    -0.00  -0.00   0.00
   117   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01     0.04   0.02   0.13
   118   1     0.00   0.00   0.01     0.00   0.00   0.01    -0.06  -0.06  -0.20
   119   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01     0.06   0.08   0.26
   120   1     0.00   0.00   0.01     0.00   0.00   0.01    -0.06  -0.10  -0.20
   121   1     0.00   0.01   0.01     0.00   0.00   0.00     0.02   0.01   0.05
   122   1    -0.00  -0.01  -0.02    -0.00  -0.00  -0.01    -0.02  -0.02  -0.05
   123   1     0.00   0.01   0.02     0.00   0.00   0.00     0.00   0.02   0.03
   124   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.01  -0.00  -0.02
   125   1     0.00   0.01   0.01    -0.01   0.01   0.00    -0.00   0.00   0.00
   126   1    -0.00  -0.01  -0.01     0.01   0.01  -0.00     0.00  -0.00  -0.00
   127   1     0.00   0.01   0.02     0.00  -0.01  -0.01     0.00   0.00   0.00
   128   1     0.00  -0.01  -0.01    -0.00   0.01   0.02    -0.00  -0.00  -0.00
   129   1     0.00  -0.01  -0.01    -0.01  -0.19  -0.17    -0.00  -0.01  -0.01
   130   1     0.00   0.01   0.02     0.02   0.21   0.24     0.00   0.01   0.01
   131   1    -0.00  -0.01  -0.01    -0.00  -0.16  -0.19     0.00  -0.01  -0.01
   132   1     0.00   0.01   0.01    -0.00   0.09   0.14    -0.00   0.00   0.00
   133   1     0.02   0.00   0.04     0.00   0.00   0.01     0.00   0.00   0.00
   134   1     0.02  -0.00   0.03     0.00  -0.00   0.01     0.00  -0.00   0.00
   135   1    -0.05   0.03  -0.04    -0.01   0.01  -0.01    -0.00   0.00  -0.00
   136   1    -0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
   137   1    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
   138   1    -0.00   0.02   0.01    -0.00   0.01   0.00    -0.00   0.00   0.00
   139   1    -0.00   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
   140   1     0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
   141   1     0.01  -0.01  -0.02     0.00  -0.00  -0.01     0.00  -0.00  -0.00
   142   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   143  17     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
                    214                    215                    216
                      A                      A                      A
 Frequencies --    979.3810               980.6330               988.3021
 Red. masses --      1.3226                 1.5340                 1.3857
 Frc consts  --      0.7474                 0.8692                 0.7974
 IR Inten    --      5.6156                52.2792                 8.4963
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     2   6     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.02  -0.01  -0.01
     3   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.00   0.01
     4   6     0.00   0.00   0.00     0.01  -0.01   0.00     0.02  -0.01   0.03
     5   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.01  -0.12
     6   6    -0.00  -0.00   0.00     0.00   0.02   0.01     0.01   0.03   0.10
     7   6    -0.00  -0.00  -0.00    -0.01   0.01   0.01     0.00  -0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.02  -0.01   0.01    -0.00  -0.00  -0.01
     9   6    -0.00   0.00   0.00    -0.01  -0.02  -0.00    -0.01  -0.00   0.01
    10   6    -0.00  -0.00  -0.00     0.01  -0.01   0.01     0.01  -0.03  -0.01
    11   6     0.00  -0.00  -0.01     0.01  -0.01  -0.01     0.01  -0.00   0.00
    12   6    -0.00   0.00   0.01     0.02   0.00  -0.01    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.01    -0.02   0.01   0.10     0.00   0.01  -0.01
    14   6    -0.00  -0.00   0.01     0.03   0.02  -0.10    -0.00  -0.00   0.01
    15   7     0.00  -0.00  -0.00     0.01   0.03  -0.01    -0.00   0.03  -0.02
    16   6     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    17   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   7     0.00   0.00   0.00     0.00   0.02  -0.01     0.00   0.02  -0.01
    19   6    -0.00  -0.00  -0.00     0.00  -0.01   0.02     0.00  -0.02   0.01
    20   6    -0.00   0.00   0.00    -0.01   0.01  -0.01    -0.01   0.01  -0.00
    21   6    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.01   0.00  -0.00
    22   6    -0.00  -0.00   0.00    -0.00  -0.02   0.01    -0.00  -0.02   0.01
    23   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01   0.01
    24   6    -0.00   0.01  -0.01     0.01  -0.00   0.01    -0.00  -0.00   0.00
    25   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    26   6     0.01   0.02  -0.03     0.01   0.02  -0.03    -0.00  -0.00   0.00
    27   6     0.00  -0.02   0.02     0.00  -0.03   0.02    -0.00   0.00  -0.00
    28   6    -0.01  -0.01   0.01    -0.00  -0.00  -0.01     0.00   0.00   0.00
    29   6     0.00   0.07  -0.07    -0.01   0.01  -0.00     0.00  -0.00   0.00
    30   6     0.00  -0.06   0.08    -0.00   0.00   0.01     0.00   0.00  -0.00
    31   6    -0.00  -0.00   0.01     0.00   0.00   0.00     0.00   0.01  -0.02
    32   6     0.00   0.00  -0.01     0.00   0.00   0.00    -0.01  -0.00   0.01
    33   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    34   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    35   6     0.00   0.00  -0.01     0.00   0.00  -0.00     0.00   0.01   0.00
    36   6     0.00   0.00   0.00     0.00   0.00   0.01    -0.00   0.00  -0.00
    37   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.00   0.00
    38   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    39   6     0.00  -0.00   0.00     0.01  -0.01   0.01    -0.00  -0.01   0.00
    40   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.02    -0.00  -0.00  -0.00
    41   7    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    42   7    -0.02   0.00  -0.01    -0.01  -0.00  -0.00     0.00   0.00   0.00
    43   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    44   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    45   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    46   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    47   6    -0.01   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    48   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    49   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    50   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    51   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    52   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    53   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    54   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    55   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    56   6     0.02   0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    57   6    -0.02   0.01   0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
    58   6     0.02  -0.02  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
    59   6    -0.01   0.01   0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    60   6     0.01  -0.00  -0.00     0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    61   6    -0.00   0.00   0.01    -0.01   0.00   0.01     0.00  -0.00   0.00
    62   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00   0.00   0.00
    63   6     0.00   0.00   0.00     0.00   0.00   0.01    -0.00  -0.00  -0.00
    64   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    65   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    66   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    67   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    68   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    69   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    70   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    71   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    72   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    73   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    74   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    75   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    76   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    77   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    78   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    79   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    80   8     0.00  -0.00  -0.00    -0.01   0.00   0.01    -0.00  -0.00  -0.00
    81  15     0.00   0.00   0.01    -0.01  -0.02  -0.03     0.00  -0.00   0.01
    82   8    -0.01  -0.00  -0.01     0.04   0.01   0.05    -0.01  -0.00  -0.01
    83   8     0.00  -0.01  -0.00    -0.01   0.04   0.01     0.00  -0.00  -0.00
    84   6    -0.01   0.00  -0.00     0.03  -0.01   0.02    -0.00   0.00  -0.00
    85   6     0.00   0.00   0.01    -0.03  -0.00  -0.04     0.00   0.00   0.01
    86   6     0.00  -0.00  -0.00    -0.00   0.00   0.02     0.00  -0.00  -0.00
    87   6    -0.00   0.00   0.00     0.00  -0.02  -0.01    -0.00   0.01   0.00
    88   1     0.00   0.01  -0.00    -0.01  -0.01  -0.01    -0.02   0.01   0.02
    89   1     0.00   0.01   0.01    -0.00   0.01   0.06     0.01   0.12   0.74
    90   1    -0.00  -0.00  -0.01    -0.01   0.01  -0.06    -0.04  -0.04  -0.60
    91   1    -0.01   0.01   0.04    -0.02  -0.03   0.02     0.02   0.00  -0.01
    92   1    -0.02  -0.01   0.07     0.20   0.09  -0.50    -0.02  -0.00   0.06
    93   1     0.04   0.03  -0.08    -0.26  -0.19   0.61     0.04   0.03  -0.08
    94   1     0.00   0.01   0.01     0.00  -0.05  -0.07     0.02  -0.02   0.01
    95   1    -0.00  -0.00  -0.01     0.01   0.06   0.05     0.00   0.02  -0.01
    96   1    -0.00  -0.00   0.00    -0.02  -0.03  -0.01    -0.01  -0.02   0.01
    97   1     0.02  -0.11   0.13    -0.00  -0.14   0.13    -0.00   0.01  -0.01
    98   1     0.00   0.10  -0.11     0.01   0.11  -0.14    -0.00  -0.00   0.01
    99   1     0.01  -0.39   0.44    -0.02  -0.03   0.03     0.00   0.01  -0.01
   100   1     0.02   0.41  -0.43     0.00   0.04  -0.02     0.00  -0.01   0.01
   101   1     0.02   0.02  -0.05     0.00  -0.00   0.00    -0.04  -0.06   0.10
   102   1    -0.02  -0.02   0.04    -0.00   0.01  -0.00     0.03   0.05  -0.09
   103   1     0.02   0.02  -0.05     0.00   0.01  -0.02     0.01  -0.00  -0.01
   104   1    -0.02  -0.03   0.05    -0.01  -0.01   0.02    -0.01  -0.00   0.02
   105   1    -0.00   0.00  -0.00    -0.01   0.01  -0.03     0.00  -0.00   0.01
   106   1     0.00  -0.00   0.00     0.01  -0.00   0.03    -0.01   0.00  -0.00
   107   1    -0.01   0.00  -0.02    -0.04   0.01  -0.08    -0.01  -0.00  -0.02
   108   1     0.01  -0.00   0.02     0.04  -0.02   0.08     0.01  -0.01   0.02
   109   1    -0.03   0.01   0.13     0.01  -0.00   0.00    -0.00   0.00  -0.00
   110   1     0.08  -0.04  -0.20    -0.00  -0.00  -0.00    -0.00   0.00   0.00
   111   1    -0.11   0.04   0.25    -0.00  -0.00   0.01     0.00   0.00  -0.00
   112   1     0.11  -0.06  -0.19     0.01  -0.00  -0.01    -0.00   0.00   0.00
   113   1    -0.01   0.01   0.04    -0.02   0.02   0.05     0.00  -0.00  -0.00
   114   1     0.01  -0.01  -0.04     0.02  -0.01  -0.06    -0.00   0.00   0.00
   115   1    -0.02   0.00   0.02    -0.02   0.01   0.04     0.00   0.00  -0.00
   116   1     0.01   0.01  -0.01     0.02   0.00  -0.03    -0.00  -0.00   0.00
   117   1     0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
   118   1    -0.01  -0.00  -0.02    -0.00   0.00   0.00     0.01   0.00   0.01
   119   1     0.00   0.01   0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.02
   120   1    -0.00  -0.01  -0.02     0.00   0.00   0.00     0.00   0.01   0.01
   121   1     0.01   0.01   0.02     0.00   0.00   0.01     0.00   0.00   0.00
   122   1    -0.01  -0.01  -0.02    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
   123   1     0.00   0.01   0.02     0.00   0.00   0.01     0.00  -0.00   0.00
   124   1     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00  -0.00
   125   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
   126   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
   127   1    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00  -0.00  -0.00
   128   1     0.00  -0.00  -0.00     0.00  -0.00  -0.01    -0.00   0.00   0.00
   129   1     0.00   0.01   0.00     0.00   0.02   0.02     0.00   0.00   0.00
   130   1    -0.00  -0.01  -0.01    -0.00  -0.02  -0.03    -0.00  -0.00  -0.00
   131   1    -0.00   0.00   0.01    -0.00   0.02   0.02    -0.00   0.00   0.00
   132   1     0.00  -0.00  -0.00     0.00  -0.01  -0.01     0.00  -0.00  -0.00
   133   1    -0.01  -0.00  -0.02     0.05   0.01   0.09    -0.01  -0.00  -0.02
   134   1    -0.01   0.00  -0.01     0.04  -0.00   0.06    -0.01   0.00  -0.01
   135   1     0.02  -0.01   0.02    -0.12   0.06  -0.08     0.02  -0.01   0.01
   136   1     0.00  -0.00  -0.00    -0.01   0.01   0.02     0.00  -0.00  -0.00
   137   1     0.00  -0.01  -0.00    -0.01   0.03   0.01     0.00  -0.01   0.00
   138   1     0.00  -0.01  -0.00    -0.01   0.04   0.02     0.00  -0.01  -0.00
   139   1     0.00  -0.00  -0.00    -0.01   0.03   0.01     0.00  -0.01  -0.00
   140   1    -0.00   0.00   0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
   141   1    -0.00   0.00   0.01     0.01  -0.03  -0.04    -0.00   0.01   0.02
   142   1    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00   0.00
   143  17    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
                    217                    218                    219
                      A                      A                      A
 Frequencies --    995.9746              1020.2805              1020.3726
 Red. masses --      5.2331                 7.3169                 7.3180
 Frc consts  --      3.0585                 4.4876                 4.4891
 IR Inten    --     95.0369                 3.2901                 4.2069
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.14  -0.05   0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
     3   6     0.01   0.02  -0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
     4   6     0.11  -0.10  -0.01    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.01   0.03   0.06     0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6     0.03   0.15  -0.07    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.02   0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.08  -0.03  -0.07     0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.11  -0.08   0.07     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   6     0.09  -0.18   0.07    -0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.07  -0.07   0.03    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.03  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6     0.01   0.11  -0.01    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.01  -0.01   0.05    -0.00   0.00  -0.00    -0.00   0.00   0.00
    15   7     0.01   0.21  -0.13    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   6     0.05   0.04  -0.02    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   6    -0.03   0.03  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   7    -0.00   0.13  -0.06    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6     0.03  -0.12   0.05    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6    -0.08   0.11  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
    21   6     0.04   0.03  -0.03    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    22   6    -0.02  -0.17   0.09     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6     0.02  -0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    24   6    -0.02  -0.01  -0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
    25   6     0.04   0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    26   6    -0.00  -0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   6    -0.00   0.02   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    28   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    29   6     0.02  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   6     0.00   0.00  -0.01     0.00  -0.00  -0.00     0.00   0.00   0.00
    31   6    -0.00  -0.01   0.02     0.00   0.00   0.00     0.00   0.00   0.00
    32   6     0.01   0.02  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.01
    33   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
    34   6    -0.02  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.01
    35   6     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    36   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    37   6    -0.02   0.03   0.02    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    38   6    -0.00   0.00  -0.00     0.00   0.00   0.01    -0.00  -0.00  -0.00
    39   6    -0.00  -0.04   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    40   6    -0.00  -0.00  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    41   7    -0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    42   7     0.01   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    43   7    -0.01  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    44   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    45   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.04  -0.06   0.03
    46   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.07   0.01
    47   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    48   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    49   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.12  -0.26   0.11
    50   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.24  -0.15   0.11
    51   6    -0.00   0.01  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    52   6    -0.00  -0.00   0.00    -0.02  -0.01   0.00     0.00   0.00  -0.00
    53   6     0.00   0.00  -0.00    -0.21   0.18  -0.15     0.00  -0.00   0.00
    54   6     0.00   0.00  -0.00    -0.06   0.23  -0.20     0.00  -0.00   0.00
    55   6    -0.00  -0.00   0.00     0.02   0.00  -0.01    -0.00  -0.00   0.00
    56   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
    57   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.06   0.03  -0.03
    58   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    59   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.06   0.04   0.02
    60   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.07  -0.01  -0.03
    61   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    62   6     0.00   0.00   0.00     0.00   0.00   0.00     0.03   0.07   0.00
    63   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    64   6     0.01  -0.00  -0.00     0.00  -0.00   0.00     0.02  -0.02   0.00
    65   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.05   0.29  -0.08
    66   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    67   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.26  -0.12  -0.03
    68   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.16   0.24  -0.04
    69   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    70   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.29  -0.00  -0.08
    71   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.02   0.01   0.00
    72   6     0.00   0.00  -0.00    -0.03  -0.00   0.00     0.00   0.00  -0.00
    73   6    -0.00  -0.00  -0.00     0.30  -0.07   0.05    -0.00   0.00  -0.00
    74   6     0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00   0.00
    75   6     0.00   0.00  -0.00    -0.22  -0.14   0.15     0.00   0.00  -0.00
    76   6     0.00  -0.00  -0.00     0.29   0.03  -0.04    -0.00  -0.00   0.00
    77   6    -0.00   0.00  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
    78   6    -0.00  -0.00   0.00    -0.11  -0.21   0.20     0.00   0.00  -0.00
    79   6     0.00   0.00  -0.00     0.02   0.01  -0.01    -0.00  -0.00   0.00
    80   8    -0.02  -0.00   0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    81  15     0.02  -0.02   0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    82   8    -0.02  -0.01  -0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    83   8     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    84   6    -0.01   0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    85   6     0.01  -0.00   0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    86   6     0.00  -0.03  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    87   6    -0.00   0.02   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    88   1    -0.15  -0.05  -0.04     0.00   0.00  -0.00    -0.00   0.00   0.00
    89   1    -0.03   0.00  -0.36     0.00   0.00   0.00     0.00  -0.00  -0.00
    90   1     0.02   0.20   0.27    -0.00  -0.00  -0.00     0.00   0.00   0.00
    91   1     0.09  -0.06   0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
    92   1    -0.05   0.08   0.19     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    93   1     0.13   0.08  -0.25    -0.00   0.00   0.00     0.00   0.00  -0.00
    94   1     0.16  -0.16   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    95   1     0.01   0.22  -0.07    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    96   1    -0.08  -0.19   0.04     0.00  -0.00  -0.00    -0.00   0.00   0.00
    97   1     0.00   0.04  -0.03    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    98   1    -0.00  -0.01   0.04     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    99   1     0.02   0.01  -0.03    -0.00   0.00   0.00    -0.00   0.00  -0.00
   100   1     0.00  -0.04   0.03     0.00   0.00  -0.00     0.00  -0.00   0.00
   101   1     0.05   0.05  -0.09     0.00  -0.00  -0.00     0.00  -0.01  -0.00
   102   1    -0.02  -0.02   0.08     0.00   0.00  -0.00     0.01   0.01  -0.02
   103   1    -0.00   0.00  -0.04     0.00   0.00  -0.00     0.01   0.01  -0.02
   104   1    -0.01  -0.03   0.03    -0.00   0.00  -0.00    -0.01   0.00  -0.00
   105   1     0.02  -0.00   0.02    -0.01  -0.00   0.00     0.00  -0.00  -0.00
   106   1    -0.03   0.03   0.00     0.01  -0.01   0.02    -0.00   0.00  -0.00
   107   1    -0.05  -0.03  -0.07     0.01  -0.01   0.02    -0.00   0.00  -0.00
   108   1     0.04  -0.04   0.10     0.01   0.01  -0.00    -0.00   0.00   0.00
   109   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   110   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.07   0.02  -0.03
   111   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
   112   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.05   0.05   0.02
   113   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.07   0.00  -0.03
   114   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
   115   1     0.00   0.00   0.00     0.00   0.00   0.00     0.05   0.06   0.01
   116   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
   117   1     0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.02   0.00
   118   1    -0.01   0.00  -0.00    -0.00   0.00  -0.00    -0.10   0.30  -0.07
   119   1    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.04  -0.04  -0.00
   120   1    -0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.28  -0.10  -0.02
   121   1     0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.14   0.27  -0.03
   122   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.05   0.04  -0.01
   123   1    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.31  -0.05  -0.06
   124   1     0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.02  -0.01   0.00
   125   1     0.00  -0.00  -0.00    -0.02   0.01  -0.01     0.00  -0.00   0.00
   126   1    -0.00   0.00   0.00     0.33  -0.04   0.01    -0.00   0.00  -0.00
   127   1    -0.00  -0.00  -0.00    -0.06  -0.01   0.02     0.00   0.00  -0.00
   128   1     0.00   0.01   0.00    -0.21  -0.17   0.15     0.00   0.00  -0.00
   129   1     0.00   0.01   0.00     0.31   0.00  -0.04    -0.00   0.00   0.00
   130   1    -0.00  -0.00  -0.01     0.05   0.02  -0.02    -0.00  -0.00   0.00
   131   1    -0.00   0.00   0.00    -0.17  -0.21   0.20     0.00   0.00  -0.00
   132   1     0.00   0.00  -0.01     0.00   0.02  -0.01    -0.00  -0.00   0.00
   133   1    -0.02  -0.01  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
   134   1    -0.02   0.00  -0.03     0.00   0.00   0.00     0.00  -0.00   0.00
   135   1     0.04  -0.02   0.03    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   136   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   137   1     0.01  -0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
   138   1     0.01  -0.04  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
   139   1     0.01  -0.04  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
   140   1     0.00  -0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
   141   1    -0.02   0.04   0.06    -0.00   0.00   0.00     0.00  -0.00  -0.00
   142   1    -0.01  -0.01   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
   143  17     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                    220                    221                    222
                      A                      A                      A
 Frequencies --   1020.4076              1025.6400              1032.5846
 Red. masses --      7.3187                 5.5709                 4.1570
 Frc consts  --      4.4899                 3.4527                 2.6115
 IR Inten    --      2.2266                 8.0104                90.3003
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.11  -0.09   0.00     0.00   0.01  -0.00
     2   6    -0.00  -0.00  -0.00     0.02   0.00  -0.01     0.05   0.02  -0.01
     3   6    -0.00  -0.00   0.00     0.03   0.15  -0.01    -0.01  -0.01   0.00
     4   6     0.00  -0.00  -0.00    -0.01   0.03  -0.00    -0.05   0.05   0.00
     5   6     0.00   0.00   0.00    -0.13  -0.06   0.01     0.00  -0.01  -0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.02   0.01    -0.01  -0.06   0.01
     7   6    -0.00  -0.00  -0.00     0.00   0.15   0.01    -0.01  -0.00  -0.01
     8   6     0.00   0.00   0.00    -0.03  -0.00   0.00    -0.10  -0.04  -0.05
     9   6     0.00   0.00  -0.00    -0.02   0.01  -0.01    -0.12  -0.05   0.02
    10   6     0.00  -0.00   0.00    -0.01   0.04  -0.02    -0.02   0.08  -0.03
    11   6    -0.00   0.00   0.00     0.03  -0.03   0.01     0.08  -0.07   0.03
    12   6     0.00   0.00  -0.00    -0.11  -0.05  -0.04     0.01   0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.00   0.04   0.01     0.01   0.11   0.01
    14   6     0.00   0.00  -0.00     0.10  -0.09   0.01    -0.01   0.00   0.01
    15   7    -0.00   0.00   0.00     0.03  -0.04   0.01     0.10  -0.04   0.00
    16   6    -0.00  -0.00   0.00     0.01  -0.00  -0.00     0.08   0.02  -0.03
    17   6    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.04  -0.01  -0.00
    18   7    -0.00   0.00   0.00     0.01  -0.02   0.01     0.03  -0.00  -0.01
    19   6     0.00  -0.00   0.00    -0.00   0.02  -0.01     0.01   0.03  -0.01
    20   6     0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.08   0.08  -0.02
    21   6     0.00   0.00  -0.00    -0.01  -0.01   0.01    -0.04  -0.03   0.02
    22   6     0.00   0.00  -0.00     0.00   0.01  -0.00     0.02  -0.08   0.03
    23   6    -0.00  -0.00  -0.00     0.12  -0.10   0.00    -0.00   0.00   0.00
    24   6    -0.00   0.00   0.00    -0.12  -0.05  -0.05     0.02   0.01   0.01
    25   6     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.07  -0.03   0.02
    26   6     0.00  -0.00  -0.00     0.06  -0.05  -0.05    -0.01   0.01   0.01
    27   6     0.00  -0.00  -0.00    -0.03   0.16   0.14     0.01  -0.02  -0.02
    28   6    -0.00  -0.01   0.01    -0.01  -0.00  -0.00     0.00   0.00   0.00
    29   6     0.00  -0.00  -0.01     0.16  -0.10  -0.09    -0.03   0.02   0.02
    30   6    -0.00  -0.00  -0.00    -0.03   0.06   0.06     0.01  -0.01  -0.01
    31   6     0.00   0.00   0.00    -0.06  -0.05  -0.06     0.01   0.01   0.01
    32   6     0.00  -0.00   0.00     0.06   0.19   0.12    -0.01  -0.02  -0.01
    33   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
    34   6     0.00   0.00   0.00    -0.18  -0.09  -0.12     0.02   0.02   0.01
    35   6    -0.00   0.00   0.00     0.04   0.07   0.06    -0.01  -0.02  -0.01
    36   6    -0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.02   0.14   0.04
    37   6    -0.00   0.00   0.00     0.01  -0.02  -0.01     0.09  -0.18  -0.08
    38   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    39   6    -0.00  -0.00  -0.00     0.00   0.02   0.00    -0.00   0.21   0.04
    40   6    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.05  -0.13  -0.05
    41   7    -0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    42   7    -0.01   0.02  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
    43   7    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.02   0.01  -0.01
    44   6    -0.01  -0.01  -0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    45   6    -0.15   0.24  -0.11    -0.00   0.00   0.00     0.00  -0.00  -0.00
    46   6    -0.01   0.30  -0.06     0.00   0.00  -0.00    -0.00   0.00   0.00
    47   6     0.02   0.01   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    48   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    49   6    -0.03  -0.06   0.03    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    50   6    -0.06  -0.04   0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    51   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    52   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.01
    53   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    54   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    55   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.00   0.00
    56   6    -0.02  -0.00  -0.01    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
    57   6     0.25  -0.11   0.13     0.00  -0.00   0.00     0.00  -0.00   0.00
    58   6    -0.01   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    59   6    -0.22  -0.18  -0.06    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    60   6     0.26   0.02   0.12    -0.01  -0.00  -0.00    -0.00  -0.00   0.00
    61   6     0.01   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    62   6    -0.14  -0.27  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    63   6     0.02   0.01   0.01    -0.01  -0.00  -0.00     0.00  -0.00   0.00
    64   6     0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.00   0.00  -0.00
    65   6    -0.01   0.07  -0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
    66   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    67   6     0.06  -0.03  -0.01     0.01  -0.00  -0.00    -0.00   0.00   0.00
    68   6    -0.04   0.06  -0.01     0.00  -0.01   0.00    -0.00   0.00  -0.00
    69   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    70   6     0.07  -0.00  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
    71   6    -0.01   0.00   0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
    72   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
    73   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    74   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.01
    75   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
    76   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    77   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    78   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    79   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    80   8     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.02  -0.00   0.01
    81  15    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    82   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.02   0.02
    83   8     0.00   0.00  -0.00    -0.00  -0.01   0.01     0.00  -0.03   0.01
    84   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01  -0.01  -0.05
    85   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01   0.00   0.02
    86   6     0.00  -0.00  -0.00    -0.00   0.03   0.00    -0.01   0.06   0.00
    87   6    -0.00   0.00   0.00     0.00  -0.02  -0.01     0.01  -0.03  -0.01
    88   1    -0.00  -0.00   0.00     0.03  -0.01   0.03     0.06   0.02   0.04
    89   1     0.00  -0.00  -0.00    -0.14  -0.06   0.04     0.01  -0.04   0.03
    90   1     0.00   0.00   0.00     0.01  -0.04  -0.02     0.01  -0.07  -0.02
    91   1     0.00  -0.00  -0.00    -0.00  -0.06  -0.01     0.09  -0.07  -0.01
    92   1     0.00  -0.00  -0.00    -0.02   0.03   0.00    -0.02   0.11   0.04
    93   1    -0.00   0.00   0.00     0.07  -0.14   0.04     0.02   0.03  -0.05
    94   1     0.00  -0.00   0.00    -0.02   0.03  -0.01     0.07   0.02  -0.04
    95   1     0.00  -0.00   0.00    -0.03  -0.02   0.02    -0.07   0.10  -0.03
    96   1     0.00   0.00  -0.00     0.01   0.01  -0.00     0.11  -0.09   0.03
    97   1     0.01   0.00   0.00    -0.02  -0.14  -0.12     0.00   0.04   0.01
    98   1     0.00  -0.02   0.02    -0.19   0.17   0.14     0.04  -0.03  -0.02
    99   1     0.00  -0.02   0.02     0.08  -0.22  -0.18    -0.01   0.04   0.03
   100   1    -0.01  -0.00  -0.00    -0.17   0.08   0.04     0.04  -0.03   0.01
   101   1     0.00  -0.00   0.00    -0.01  -0.19  -0.06    -0.01   0.04   0.03
   102   1     0.00   0.00  -0.00     0.22   0.16   0.16    -0.05  -0.01  -0.03
   103   1     0.00   0.00  -0.00    -0.13  -0.24  -0.16    -0.00   0.06   0.03
   104   1    -0.00   0.00  -0.00     0.18   0.04   0.07    -0.05  -0.00  -0.03
   105   1     0.00  -0.00   0.00    -0.02   0.01   0.00    -0.25   0.20   0.12
   106   1    -0.00   0.00   0.00     0.00  -0.03  -0.00    -0.10  -0.39  -0.04
   107   1     0.00  -0.00   0.00    -0.01   0.02   0.01    -0.24   0.27   0.17
   108   1     0.00   0.00  -0.00    -0.01  -0.01  -0.00    -0.12  -0.31  -0.01
   109   1    -0.02   0.01  -0.01    -0.01   0.00  -0.00    -0.00   0.00  -0.00
   110   1     0.28  -0.07   0.14     0.01   0.01   0.00     0.00   0.00   0.00
   111   1    -0.06  -0.02  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
   112   1    -0.21  -0.21  -0.07    -0.00  -0.00  -0.01    -0.00   0.00  -0.00
   113   1     0.28  -0.00   0.11    -0.01  -0.00   0.01     0.00  -0.00  -0.00
   114   1     0.05   0.02   0.03     0.01  -0.00  -0.00    -0.00   0.00   0.00
   115   1    -0.19  -0.26  -0.04     0.01  -0.00   0.01     0.00  -0.00   0.00
   116   1     0.00   0.02   0.00    -0.01  -0.01  -0.00    -0.00  -0.00   0.00
   117   1    -0.00  -0.01   0.00     0.00  -0.01   0.00    -0.00   0.01  -0.00
   118   1    -0.02   0.07  -0.02    -0.01   0.00   0.00     0.01  -0.00  -0.00
   119   1     0.01  -0.01  -0.00    -0.01   0.00  -0.00     0.00  -0.00  -0.00
   120   1     0.07  -0.03  -0.01     0.01  -0.00   0.01    -0.00   0.01  -0.00
   121   1    -0.04   0.07  -0.01     0.00  -0.01  -0.01    -0.01   0.00   0.00
   122   1    -0.01   0.01  -0.00    -0.00   0.01   0.00     0.00  -0.00   0.00
   123   1     0.08  -0.01  -0.02    -0.00   0.01  -0.00     0.00  -0.01   0.00
   124   1    -0.01  -0.00   0.00     0.01  -0.00  -0.00    -0.01  -0.00   0.00
   125   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.02   0.00   0.00
   126   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.01
   127   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.01  -0.00
   128   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
   129   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.01   0.01
   130   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
   131   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.02   0.00   0.00
   132   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.01
   133   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.03  -0.01  -0.04
   134   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02  -0.01  -0.06
   135   1    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.08  -0.03   0.05
   136   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.02
   137   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.02  -0.01
   138   1     0.00  -0.00  -0.00    -0.01   0.04   0.01    -0.02   0.08   0.02
   139   1     0.00  -0.00  -0.00    -0.00   0.04   0.01    -0.01   0.08   0.02
   140   1     0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.01   0.02  -0.03
   141   1    -0.00   0.00   0.00     0.01  -0.03  -0.05     0.03  -0.07  -0.10
   142   1    -0.00  -0.00   0.00     0.01   0.01  -0.01     0.02   0.02  -0.02
   143  17    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.01
                    223                    224                    225
                      A                      A                      A
 Frequencies --   1034.5672              1038.1644              1041.9066
 Red. masses --      2.8887                 3.5762                 4.2037
 Frc consts  --      1.8217                 2.2710                 2.6887
 IR Inten    --     11.4140               112.8892               301.7226
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00    -0.02   0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.01  -0.03   0.00    -0.05  -0.01   0.01    -0.01  -0.01   0.00
     3   6     0.01  -0.01  -0.00     0.01  -0.01  -0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.01   0.00     0.04  -0.05  -0.00     0.01  -0.01   0.00
     5   6     0.00  -0.01  -0.00     0.02   0.02   0.00    -0.00  -0.00  -0.00
     6   6     0.02   0.03  -0.00     0.00   0.06  -0.01     0.00   0.02  -0.00
     7   6     0.01   0.02   0.00     0.01  -0.02   0.01     0.00   0.00   0.00
     8   6    -0.00   0.01   0.00     0.11   0.04   0.05     0.01   0.01   0.00
     9   6     0.00   0.00  -0.00     0.12   0.04  -0.02     0.01   0.01   0.00
    10   6    -0.00  -0.00   0.00     0.01  -0.10   0.03     0.00  -0.02   0.00
    11   6    -0.00   0.03  -0.00    -0.08   0.08  -0.03    -0.01   0.01  -0.00
    12   6    -0.01   0.00  -0.00    -0.01   0.00   0.01    -0.01  -0.00  -0.00
    13   6     0.01  -0.03   0.00    -0.01  -0.11  -0.02    -0.00  -0.02  -0.00
    14   6     0.01  -0.00  -0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    15   7     0.00  -0.00   0.00    -0.10   0.05  -0.01    -0.01   0.02  -0.00
    16   6    -0.00  -0.00   0.00    -0.08  -0.03   0.03    -0.01   0.00   0.00
    17   6     0.00   0.00  -0.00    -0.03   0.02  -0.01    -0.01   0.00  -0.00
    18   7    -0.00   0.00   0.00    -0.05   0.02   0.00    -0.01   0.00   0.00
    19   6     0.00   0.00  -0.00     0.01  -0.03   0.02     0.00  -0.01   0.00
    20   6    -0.00   0.00  -0.00     0.04  -0.01  -0.00     0.01   0.00  -0.00
    21   6    -0.00  -0.00   0.00     0.04   0.01  -0.01     0.01   0.00  -0.00
    22   6     0.00  -0.00  -0.00     0.02   0.03  -0.02    -0.00  -0.00   0.00
    23   6    -0.03   0.02  -0.00    -0.01   0.01  -0.00    -0.00   0.00  -0.00
    24   6    -0.03  -0.01  -0.01    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    25   6    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.01   0.00  -0.00
    26   6     0.07  -0.08  -0.07     0.01  -0.01  -0.01    -0.01   0.01   0.01
    27   6    -0.06   0.11   0.10    -0.00   0.01   0.01     0.01  -0.01  -0.00
    28   6    -0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    29   6     0.10  -0.10  -0.08     0.01  -0.01  -0.01    -0.00   0.01   0.01
    30   6    -0.05   0.09   0.08    -0.00   0.01   0.01     0.01  -0.01  -0.01
    31   6     0.07   0.07   0.07    -0.02  -0.02  -0.02     0.00   0.00   0.00
    32   6    -0.06  -0.11  -0.08     0.02   0.02   0.02    -0.00  -0.00  -0.00
    33   6    -0.01   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    34   6     0.10   0.08   0.08    -0.02  -0.03  -0.02     0.00   0.00   0.00
    35   6    -0.05  -0.08  -0.06     0.02   0.03   0.02    -0.00  -0.00  -0.00
    36   6    -0.00   0.01   0.00    -0.02   0.14   0.03    -0.00   0.02   0.00
    37   6     0.00  -0.01  -0.00     0.03  -0.13  -0.04     0.00  -0.01  -0.00
    38   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    39   6    -0.00   0.01   0.00    -0.03   0.13   0.04    -0.00   0.01   0.00
    40   6     0.00  -0.01  -0.00     0.04  -0.13  -0.04     0.00  -0.02  -0.01
    41   7     0.02  -0.01   0.00    -0.01   0.01  -0.00    -0.00   0.00  -0.00
    42   7     0.02   0.01   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    43   7     0.00   0.00  -0.00     0.02   0.01  -0.01     0.00   0.00  -0.00
    44   6     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    45   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    46   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    47   6     0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    48   6     0.01  -0.00  -0.00    -0.01   0.00   0.00     0.00   0.00  -0.00
    49   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    50   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    51   6     0.01  -0.01   0.00    -0.00   0.01  -0.00     0.00   0.00   0.00
    52   6     0.00   0.00  -0.00     0.01   0.01  -0.01     0.00   0.00  -0.00
    53   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    54   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    55   6     0.00   0.00   0.00     0.02  -0.00   0.00     0.00  -0.00   0.00
    56   6    -0.01  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    57   6     0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    58   6     0.00   0.01  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    59   6    -0.01  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    60   6    -0.01  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    61   6     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    62   6     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    63   6    -0.01  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.00
    64   6    -0.01   0.01   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    65   6     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    66   6     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    67   6    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    68   6    -0.01   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    69   6    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    70   6     0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    71   6    -0.01   0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    72   6    -0.00  -0.00   0.00    -0.02  -0.01   0.01    -0.00  -0.00   0.00
    73   6     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    74   6    -0.00   0.00  -0.00    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    75   6    -0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.00  -0.00   0.00
    76   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    77   6     0.00  -0.00   0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
    78   6     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    79   6    -0.00  -0.00   0.00    -0.02  -0.00   0.01    -0.00  -0.00   0.00
    80   8     0.00   0.00  -0.00     0.02   0.00  -0.01     0.01  -0.00  -0.00
    81  15    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.01   0.02   0.03
    82   8     0.00  -0.00  -0.00    -0.00  -0.02  -0.02    -0.03  -0.10  -0.19
    83   8    -0.00  -0.00   0.00    -0.00   0.06  -0.02     0.02  -0.16   0.05
    84   6     0.00   0.00   0.00     0.01   0.01   0.05     0.06   0.08   0.27
    85   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.02    -0.07   0.00  -0.12
    86   6    -0.00   0.01   0.00     0.01  -0.11  -0.00    -0.02   0.25   0.01
    87   6     0.00  -0.00  -0.00    -0.01   0.06   0.03     0.02  -0.11  -0.06
    88   1     0.00  -0.07  -0.01    -0.05  -0.01  -0.05    -0.01  -0.02  -0.00
    89   1     0.03  -0.08   0.02     0.01   0.06  -0.03    -0.00   0.00   0.00
    90   1     0.03   0.03  -0.01    -0.02   0.07   0.02     0.01   0.02   0.00
    91   1     0.00   0.04   0.02    -0.09   0.09   0.01    -0.01   0.01   0.01
    92   1     0.02  -0.03  -0.01     0.03  -0.12  -0.04     0.00  -0.02   0.00
    93   1     0.03   0.03   0.06    -0.02  -0.00   0.04     0.01   0.00  -0.02
    94   1     0.01  -0.00  -0.00     0.09  -0.06  -0.01     0.02   0.00   0.04
    95   1    -0.00   0.00  -0.00     0.05  -0.01  -0.01     0.01  -0.00  -0.01
    96   1     0.01  -0.00  -0.00     0.07   0.04  -0.01    -0.00   0.00   0.00
    97   1    -0.05  -0.24  -0.19    -0.00  -0.03  -0.01     0.01   0.02   0.02
    98   1    -0.31   0.12   0.11    -0.03   0.02   0.01     0.03  -0.00  -0.01
    99   1    -0.02  -0.26  -0.23     0.00  -0.03  -0.01     0.01   0.02   0.02
   100   1    -0.28   0.10   0.07    -0.02   0.02  -0.01     0.03  -0.01  -0.01
   101   1    -0.00   0.26   0.11     0.01  -0.09  -0.05     0.00   0.01   0.00
   102   1    -0.28  -0.05  -0.15     0.09   0.00   0.05    -0.01  -0.00  -0.00
   103   1     0.01   0.28   0.15     0.02  -0.10  -0.05     0.00   0.00   0.00
   104   1    -0.25  -0.03  -0.12     0.09   0.01   0.05    -0.00  -0.00  -0.00
   105   1    -0.02   0.01   0.01    -0.25   0.19   0.16    -0.03   0.02   0.02
   106   1    -0.01  -0.02  -0.00    -0.17  -0.34  -0.02    -0.02  -0.04  -0.00
   107   1    -0.02   0.01   0.01    -0.28   0.19   0.19    -0.04   0.02   0.02
   108   1    -0.01  -0.02  -0.00    -0.14  -0.32  -0.02    -0.02  -0.04   0.00
   109   1    -0.02   0.00  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
   110   1     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   111   1     0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   112   1    -0.01   0.00  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
   113   1    -0.01  -0.01   0.00     0.00   0.01  -0.00     0.00   0.00   0.00
   114   1     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   115   1     0.02  -0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   116   1    -0.01  -0.02  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
   117   1    -0.01   0.02  -0.00     0.00  -0.01   0.00    -0.00  -0.00   0.00
   118   1     0.01  -0.01  -0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
   119   1     0.01  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
   120   1    -0.01   0.01  -0.01     0.00  -0.01   0.00    -0.00  -0.00   0.00
   121   1    -0.01   0.00   0.01     0.01   0.00  -0.00     0.00   0.00   0.00
   122   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   123   1     0.01  -0.01   0.00    -0.01   0.01  -0.00    -0.00   0.00   0.00
   124   1    -0.02   0.00   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
   125   1    -0.00   0.00  -0.00    -0.03   0.00   0.00    -0.00   0.00   0.00
   126   1     0.00   0.00  -0.00     0.01   0.01  -0.01     0.00   0.00  -0.00
   127   1     0.00   0.00  -0.00     0.01   0.01  -0.01     0.00   0.00  -0.00
   128   1    -0.00   0.00  -0.00    -0.02   0.00  -0.00    -0.00   0.00   0.00
   129   1    -0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.00  -0.00   0.00
   130   1     0.00  -0.00  -0.00     0.02  -0.00  -0.00     0.00  -0.00  -0.00
   131   1     0.00   0.00  -0.00     0.02   0.00  -0.00     0.00   0.00   0.00
   132   1    -0.00  -0.00   0.00    -0.02  -0.02   0.02    -0.00  -0.00   0.00
   133   1     0.00   0.00   0.00     0.02   0.01   0.04     0.15   0.04   0.19
   134   1     0.00   0.00   0.00     0.02   0.01   0.06     0.10   0.04   0.31
   135   1    -0.00   0.00  -0.00    -0.07   0.03  -0.04    -0.34   0.15  -0.22
   136   1    -0.00   0.00   0.00    -0.02   0.01   0.02    -0.13   0.06   0.06
   137   1    -0.00   0.00   0.00    -0.00   0.02   0.01    -0.04   0.12   0.03
   138   1    -0.00   0.01   0.00     0.03  -0.14  -0.03    -0.07   0.23   0.07
   139   1    -0.00   0.01   0.00     0.01  -0.14  -0.04    -0.02   0.28   0.07
   140   1    -0.00   0.00  -0.00     0.01  -0.03   0.05    -0.02   0.04  -0.11
   141   1     0.00  -0.00  -0.01    -0.05   0.11   0.16     0.10  -0.21  -0.31
   142   1     0.00   0.00  -0.00    -0.03  -0.03   0.05     0.07   0.04  -0.11
   143  17    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
                    226                    227                    228
                      A                      A                      A
 Frequencies --   1046.6377              1047.5482              1047.7249
 Red. masses --      2.9152                 2.1572                 2.1680
 Frc consts  --      1.8815                 1.3947                 1.4022
 IR Inten    --      4.1615                 5.0787                 3.5471
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.07   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.02  -0.03   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.03   0.12  -0.01    -0.00  -0.00   0.00    -0.00  -0.01   0.00
     4   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.10  -0.05   0.01     0.00   0.00  -0.00     0.01   0.00  -0.00
     6   6     0.02   0.03  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00   0.12   0.01    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     8   6     0.02   0.01   0.02    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.04   0.03  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.01  -0.01   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.01  -0.02  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    12   6    -0.09  -0.04  -0.03     0.00   0.00   0.00     0.01   0.00   0.00
    13   6    -0.01   0.01  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    14   6     0.08  -0.07   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   7    -0.01  -0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    16   6    -0.02  -0.01   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   6    -0.01  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    18   7    -0.02  -0.01   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   6    -0.01   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    20   6     0.02  -0.02   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    21   6     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00   0.03  -0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6     0.07  -0.06  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   6    -0.08  -0.03  -0.03     0.00   0.00   0.00     0.00   0.00   0.00
    25   6     0.01   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   6    -0.06   0.07   0.06     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    27   6     0.05  -0.03  -0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    29   6    -0.00   0.05   0.04    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   6     0.04  -0.08  -0.06    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   6     0.07   0.06   0.06    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    32   6    -0.05  -0.02  -0.03     0.00   0.00   0.00     0.00   0.00   0.00
    33   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
    34   6     0.01   0.06   0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   6    -0.05  -0.08  -0.06     0.00   0.00   0.00     0.00   0.01   0.00
    36   6    -0.00   0.01   0.00    -0.00  -0.01   0.00     0.00  -0.00  -0.00
    37   6    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    38   6    -0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    39   6    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    40   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    41   7     0.02  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    42   7    -0.02  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    43   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    44   6    -0.01  -0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    45   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    46   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    47   6    -0.02   0.00  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    48   6     0.02  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.01
    49   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.02   0.02  -0.00
    50   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.02  -0.00
    51   6     0.01  -0.01   0.00     0.00   0.00  -0.00     0.01   0.01  -0.01
    52   6     0.00   0.00  -0.00     0.01  -0.01   0.01    -0.00   0.00  -0.00
    53   6    -0.00  -0.00   0.00    -0.02  -0.01   0.01     0.00   0.00  -0.00
    54   6    -0.00  -0.00  -0.00    -0.02  -0.01   0.01     0.00   0.00  -0.00
    55   6     0.00   0.00  -0.00     0.00   0.01  -0.01    -0.00  -0.00   0.00
    56   6     0.01  -0.00   0.01     0.00   0.00  -0.00    -0.00  -0.01   0.00
    57   6    -0.02   0.00  -0.01     0.00  -0.00   0.00    -0.01   0.00  -0.00
    58   6     0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    59   6     0.02   0.00   0.01    -0.00   0.00  -0.00     0.01  -0.00   0.00
    60   6     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.00   0.01   0.00
    61   6     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
    62   6    -0.01  -0.02  -0.00     0.00   0.00   0.00    -0.01  -0.01  -0.00
    63   6     0.01   0.01   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    64   6    -0.01   0.01  -0.00     0.00   0.00  -0.00     0.09   0.02  -0.03
    65   6     0.01  -0.01   0.00     0.00  -0.00   0.00     0.05  -0.11   0.02
    66   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.13  -0.03   0.04
    67   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.02   0.07  -0.02
    68   6    -0.01   0.01  -0.00    -0.00   0.00   0.00    -0.08   0.01   0.02
    69   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.02   0.13  -0.05
    70   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.12  -0.03  -0.02
    71   6    -0.01   0.01   0.00     0.00  -0.00   0.00    -0.00  -0.09   0.03
    72   6    -0.00   0.00  -0.00     0.01   0.07  -0.06    -0.00  -0.00   0.00
    73   6     0.00  -0.00  -0.00     0.13  -0.00  -0.01    -0.00   0.00   0.00
    74   6    -0.00  -0.00   0.00    -0.01  -0.10   0.09     0.00   0.00  -0.00
    75   6    -0.00  -0.00   0.00    -0.08   0.01  -0.01     0.00  -0.00   0.00
    76   6    -0.00  -0.00   0.00    -0.03  -0.05   0.05     0.00   0.00  -0.00
    77   6    -0.00   0.00  -0.00    -0.12   0.06  -0.04     0.00  -0.00   0.00
    78   6     0.00   0.00  -0.00     0.08   0.08  -0.07    -0.00  -0.00   0.00
    79   6    -0.00  -0.00   0.00     0.08  -0.03   0.03    -0.00   0.00  -0.00
    80   8     0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    81  15    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    82   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    83   8    -0.00   0.02  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    84   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    85   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    86   6     0.00  -0.03   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    87   6    -0.00   0.01   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    88   1     0.01  -0.09   0.02     0.00   0.00   0.00    -0.00   0.01  -0.00
    89   1    -0.08  -0.10   0.03     0.00   0.00  -0.00     0.00   0.01  -0.00
    90   1     0.03   0.03  -0.02    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    91   1    -0.06  -0.06  -0.00     0.00   0.00  -0.00     0.00   0.01   0.00
    92   1    -0.02   0.00  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    93   1     0.03  -0.14   0.01    -0.00   0.00  -0.00    -0.00   0.01   0.00
    94   1    -0.01   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    95   1    -0.00  -0.04   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    96   1    -0.01   0.03  -0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    97   1     0.06   0.22   0.20    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    98   1     0.30  -0.02  -0.03    -0.00   0.00  -0.00    -0.02  -0.00   0.00
    99   1     0.12   0.19   0.19    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
   100   1     0.28  -0.08  -0.07    -0.00   0.00   0.00    -0.02   0.00   0.01
   101   1    -0.02   0.28   0.12     0.00  -0.00  -0.00    -0.00  -0.02  -0.02
   102   1    -0.28   0.05  -0.11     0.00  -0.00   0.00    -0.00  -0.01   0.02
   103   1    -0.09   0.26   0.10     0.00  -0.00  -0.00     0.01   0.00  -0.02
   104   1    -0.27  -0.02  -0.13     0.00   0.00   0.00     0.01   0.00   0.02
   105   1    -0.03   0.02   0.02    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
   106   1    -0.03  -0.03   0.00     0.00  -0.01   0.02     0.00   0.00  -0.00
   107   1    -0.03   0.01   0.02    -0.02   0.01  -0.01     0.00  -0.00  -0.00
   108   1    -0.02  -0.04  -0.01     0.00   0.00   0.01     0.00   0.00   0.00
   109   1     0.04  -0.04   0.02    -0.00   0.01  -0.00     0.01  -0.03   0.01
   110   1    -0.03  -0.02  -0.01     0.01   0.00   0.00    -0.02  -0.01  -0.01
   111   1     0.01   0.01   0.00    -0.01  -0.00  -0.00     0.02   0.02   0.00
   112   1     0.04  -0.04   0.03    -0.01   0.01  -0.01     0.02  -0.03   0.02
   113   1     0.02   0.06  -0.01    -0.00  -0.01   0.00     0.00   0.04  -0.01
   114   1     0.01   0.00   0.01    -0.01  -0.00  -0.00     0.02   0.00   0.01
   115   1    -0.04  -0.00  -0.02     0.01   0.00   0.00    -0.02  -0.00  -0.01
   116   1     0.01   0.06  -0.01     0.00  -0.01   0.00    -0.01   0.03  -0.01
   117   1     0.01   0.04  -0.02     0.01   0.01  -0.00     0.22   0.29  -0.15
   118   1     0.03  -0.01  -0.00     0.00  -0.00  -0.00     0.18  -0.12  -0.01
   119   1    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.23   0.10   0.04
   120   1     0.00   0.04  -0.02     0.00   0.01  -0.00     0.10   0.36  -0.17
   121   1    -0.04  -0.01   0.01    -0.01  -0.00   0.00    -0.35  -0.15   0.17
   122   1    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.13   0.22  -0.05
   123   1     0.02  -0.03   0.00     0.00  -0.00   0.00     0.15  -0.16   0.01
   124   1    -0.04  -0.01   0.01    -0.01  -0.01   0.00    -0.26  -0.26   0.15
   125   1    -0.01   0.00  -0.00    -0.20   0.26  -0.22     0.01  -0.01   0.01
   126   1     0.00   0.00  -0.00     0.18   0.09  -0.09    -0.00  -0.00   0.00
   127   1    -0.00  -0.00   0.00    -0.18  -0.13   0.14     0.00   0.00  -0.00
   128   1    -0.01   0.00  -0.00    -0.33   0.19  -0.19     0.01  -0.00   0.00
   129   1    -0.00  -0.01   0.01     0.02  -0.29   0.30    -0.00   0.01  -0.01
   130   1    -0.00  -0.00   0.00    -0.26  -0.02   0.02     0.01   0.00  -0.00
   131   1     0.01   0.00  -0.00     0.20   0.05  -0.06    -0.01  -0.00   0.00
   132   1     0.00  -0.01   0.01     0.15  -0.27   0.24    -0.00   0.01  -0.01
   133   1     0.00   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
   134   1     0.00   0.00   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
   135   1    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   136   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
   137   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
   138   1     0.01  -0.03  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
   139   1     0.00  -0.04  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
   140   1     0.00  -0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
   141   1    -0.01   0.03   0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
   142   1    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
   143  17    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
                    229                    230                    231
                      A                      A                      A
 Frequencies --   1047.7894              1054.7306              1054.8534
 Red. masses --      2.1715                 1.7897                 1.7901
 Frc consts  --      1.4046                 1.1730                 1.1736
 IR Inten    --      3.0218                 6.3603                 7.2183
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.01   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6     0.01   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   6    -0.01   0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    15   7     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   7     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    19   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    23   6    -0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    24   6     0.01   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    25   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    26   6     0.01  -0.01  -0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
    27   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   6    -0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   6    -0.00   0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    32   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    34   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    36   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    37   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    38   6     0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.00
    39   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    40   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    41   7    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.02   0.03  -0.01
    42   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    43   7    -0.00  -0.00   0.00     0.02  -0.03   0.02    -0.00   0.00  -0.00
    44   6    -0.01   0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    45   6     0.02   0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    46   6     0.02   0.01   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    47   6    -0.00  -0.02   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    48   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.00
    49   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.01   0.07  -0.03
    50   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.07   0.02  -0.02
    51   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    52   6     0.00  -0.00   0.00    -0.01  -0.01   0.01     0.00   0.00  -0.00
    53   6    -0.00  -0.00   0.00     0.06  -0.03   0.02    -0.00   0.00  -0.00
    54   6    -0.00  -0.00   0.00    -0.01  -0.06   0.05     0.00   0.00  -0.00
    55   6    -0.00   0.00  -0.00     0.02   0.00  -0.00    -0.00  -0.00   0.00
    56   6    -0.03  -0.09   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    57   6    -0.12   0.01  -0.05    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    58   6     0.03   0.13  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    59   6     0.07  -0.02   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    60   6     0.04   0.07   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    61   6     0.09  -0.08   0.06    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    62   6    -0.08  -0.09  -0.02     0.00   0.00   0.00     0.00   0.00   0.00
    63   6    -0.07   0.05  -0.04     0.00  -0.00   0.00     0.00  -0.00   0.00
    64   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.07  -0.03   0.03
    65   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.05   0.06  -0.01
    66   6     0.01   0.00  -0.00     0.00   0.00  -0.00     0.11   0.02  -0.04
    67   6     0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.03  -0.05   0.02
    68   6     0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.05  -0.03   0.02
    69   6    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.01   0.11  -0.04
    70   6    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.07  -0.04  -0.00
    71   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.02  -0.07   0.03
    72   6     0.00   0.00  -0.00    -0.00   0.06  -0.05    -0.00  -0.00   0.00
    73   6     0.00  -0.00  -0.00     0.07   0.01  -0.02    -0.00  -0.00   0.00
    74   6    -0.00  -0.00   0.00    -0.02  -0.08   0.08     0.00   0.00  -0.00
    75   6    -0.00   0.00  -0.00    -0.04   0.04  -0.03     0.00  -0.00   0.00
    76   6    -0.00  -0.00   0.00    -0.01   0.05  -0.04     0.00  -0.00   0.00
    77   6    -0.00   0.00  -0.00     0.10  -0.04   0.03    -0.00   0.00  -0.00
    78   6     0.00   0.00  -0.00    -0.06  -0.04   0.03     0.00   0.00  -0.00
    79   6     0.00  -0.00   0.00    -0.06   0.04  -0.03     0.00  -0.00   0.00
    80   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    81  15     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    82   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    83   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    84   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    85   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    86   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    87   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    88   1    -0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    89   1     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    90   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    91   1     0.01   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    92   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    93   1    -0.00   0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    94   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    95   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    96   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    97   1    -0.00  -0.02  -0.02     0.00   0.00   0.00     0.00  -0.00   0.00
    98   1    -0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    99   1    -0.00   0.00  -0.02     0.00   0.00  -0.00    -0.00  -0.00  -0.00
   100   1    -0.02   0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   101   1     0.00  -0.02  -0.01    -0.00   0.00   0.00    -0.02   0.01   0.01
   102   1     0.02  -0.00   0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
   103   1     0.01  -0.02  -0.01    -0.00   0.00  -0.00    -0.01   0.01  -0.00
   104   1     0.02   0.00   0.01     0.00  -0.00   0.00     0.01  -0.01   0.01
   105   1     0.00  -0.00  -0.00     0.02   0.00  -0.01    -0.00   0.00   0.00
   106   1     0.00   0.00   0.00    -0.01  -0.00   0.00    -0.00  -0.00  -0.00
   107   1     0.00  -0.00  -0.00     0.01   0.00  -0.00    -0.00   0.00   0.00
   108   1     0.00   0.00   0.00    -0.02  -0.01  -0.00     0.00  -0.00   0.00
   109   1     0.13  -0.35   0.12     0.00  -0.00   0.00     0.01  -0.01   0.00
   110   1    -0.18  -0.10  -0.06    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   111   1     0.19   0.17   0.05     0.00   0.00   0.00     0.01   0.00   0.00
   112   1     0.24  -0.29   0.19     0.00  -0.00   0.00     0.01  -0.01   0.01
   113   1     0.06   0.40  -0.08    -0.00  -0.00   0.00    -0.00  -0.01   0.00
   114   1     0.23   0.01   0.11    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
   115   1    -0.19  -0.05  -0.08     0.00   0.00   0.00     0.01   0.00   0.00
   116   1    -0.08   0.37  -0.11     0.00  -0.00   0.00     0.00  -0.01   0.00
   117   1    -0.02  -0.03   0.01    -0.00  -0.00   0.00    -0.21  -0.35   0.17
   118   1    -0.02   0.01   0.00    -0.00   0.00   0.00    -0.16   0.06   0.02
   119   1     0.02  -0.01  -0.00     0.00  -0.00  -0.00     0.20  -0.10  -0.03
   120   1    -0.01  -0.04   0.02    -0.00  -0.00   0.00    -0.15  -0.36   0.18
   121   1     0.03   0.01  -0.02    -0.00  -0.00   0.00    -0.33  -0.20   0.18
   122   1     0.01  -0.02   0.00    -0.00   0.00  -0.00    -0.13   0.18  -0.04
   123   1    -0.01   0.02  -0.00     0.00  -0.00   0.00     0.08  -0.15   0.03
   124   1     0.03   0.02  -0.01    -0.00  -0.00   0.00    -0.32  -0.26   0.17
   125   1    -0.01   0.01  -0.01    -0.26   0.28  -0.23     0.00  -0.00   0.00
   126   1     0.01   0.00  -0.00     0.12   0.09  -0.09    -0.00  -0.00   0.00
   127   1    -0.01  -0.00   0.00    -0.16  -0.11   0.12     0.00   0.00  -0.00
   128   1    -0.01   0.01  -0.01    -0.29   0.22  -0.21     0.00  -0.00   0.00
   129   1     0.00  -0.01   0.01    -0.08   0.30  -0.29     0.00  -0.00   0.00
   130   1    -0.01  -0.00   0.00     0.22   0.03  -0.03    -0.00  -0.00   0.00
   131   1     0.01   0.00  -0.00    -0.18  -0.01   0.02     0.00   0.00  -0.00
   132   1     0.00  -0.01   0.01    -0.14   0.32  -0.28     0.00  -0.00   0.00
   133   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
   134   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
   135   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   136   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   137   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   138   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   139   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   140   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   141   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   142   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   143  17     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                    232                    233                    234
                      A                      A                      A
 Frequencies --   1054.9299              1064.3620              1075.3534
 Red. masses --      1.7901                 4.6039                 2.3821
 Frc consts  --      1.1738                 3.0730                 1.6230
 IR Inten    --      6.2511               218.5566                 1.1886
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.05   0.02   0.00    -0.08   0.03   0.00
     2   6     0.00   0.00  -0.00    -0.07  -0.06   0.01    -0.04  -0.08   0.01
     3   6    -0.00  -0.00  -0.00     0.04   0.01  -0.00     0.05   0.01  -0.00
     4   6    -0.00   0.00  -0.00     0.05  -0.05   0.00    -0.01  -0.00   0.00
     5   6    -0.00   0.00  -0.00     0.01  -0.02   0.00     0.02  -0.04  -0.00
     6   6    -0.00  -0.00   0.00     0.04   0.10  -0.01     0.05   0.08  -0.01
     7   6    -0.00  -0.00  -0.00     0.02   0.01   0.01     0.02   0.03   0.01
     8   6     0.00  -0.00   0.00     0.04   0.02   0.03     0.01   0.02   0.01
     9   6     0.00  -0.00   0.00     0.03   0.06  -0.04    -0.00   0.03  -0.02
    10   6     0.00   0.00  -0.00     0.01  -0.04   0.02    -0.02   0.01  -0.00
    11   6     0.00   0.00  -0.00    -0.04   0.04  -0.02    -0.02   0.04  -0.01
    12   6     0.00  -0.00   0.00    -0.03  -0.00  -0.00    -0.05  -0.01  -0.01
    13   6    -0.00   0.00  -0.00     0.00  -0.06  -0.01     0.01  -0.04  -0.00
    14   6    -0.00   0.00   0.00     0.02  -0.00  -0.01     0.03  -0.01   0.00
    15   7    -0.00   0.00  -0.00    -0.03   0.02  -0.00    -0.01  -0.03   0.02
    16   6    -0.00  -0.00   0.00    -0.02   0.00   0.00     0.01  -0.02   0.01
    17   6     0.00  -0.00   0.00    -0.04   0.01   0.00     0.02   0.02  -0.01
    18   7     0.00   0.00  -0.00    -0.02  -0.00   0.01    -0.02  -0.01   0.01
    19   6    -0.00   0.00  -0.00    -0.02  -0.03   0.01     0.04   0.03  -0.02
    20   6     0.00  -0.00   0.00     0.04  -0.04   0.01    -0.06   0.09  -0.03
    21   6    -0.00   0.00  -0.00     0.05   0.03  -0.02    -0.08  -0.06   0.04
    22   6    -0.00   0.00  -0.00    -0.02   0.03  -0.01     0.06  -0.06   0.01
    23   6     0.00  -0.00   0.00    -0.04   0.03  -0.01    -0.07   0.06  -0.01
    24   6     0.00  -0.00  -0.00    -0.03  -0.01  -0.01    -0.06  -0.02  -0.02
    25   6     0.00  -0.00   0.00     0.06   0.02  -0.02    -0.11  -0.04   0.03
    26   6    -0.01  -0.00   0.00    -0.01   0.01   0.01    -0.01   0.01   0.01
    27   6    -0.00   0.00   0.00     0.01   0.00   0.00     0.01   0.01   0.01
    28   6     0.00   0.00  -0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    29   6    -0.00   0.00   0.00     0.01   0.00   0.00     0.03   0.00   0.00
    30   6     0.00   0.00   0.00     0.01  -0.01  -0.01     0.01  -0.02  -0.02
    31   6    -0.00   0.00   0.00    -0.02  -0.01  -0.01    -0.02  -0.02  -0.01
    32   6    -0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.02  -0.03  -0.01
    33   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    34   6    -0.00   0.00  -0.00     0.02  -0.01   0.00     0.04  -0.01   0.01
    35   6    -0.00  -0.00  -0.00     0.01   0.02   0.01     0.02   0.03   0.02
    36   6     0.00   0.00  -0.00    -0.00   0.03   0.01     0.00  -0.04  -0.01
    37   6    -0.00   0.00   0.00    -0.02  -0.01   0.01     0.04  -0.01  -0.02
    38   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    39   6    -0.00  -0.00   0.00    -0.02  -0.01   0.01     0.04   0.04  -0.01
    40   6    -0.00   0.00   0.00     0.01  -0.03  -0.01    -0.02   0.04   0.02
    41   7     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    42   7     0.01  -0.03   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    43   7     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.01  -0.00   0.00
    44   6    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    45   6     0.05  -0.05   0.03     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    46   6    -0.02  -0.07   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    47   6     0.02   0.00   0.01    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    48   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
    49   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    50   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    51   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    52   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    53   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    54   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    55   6     0.00   0.00  -0.00     0.01  -0.00   0.00    -0.01   0.00   0.00
    56   6     0.01   0.07  -0.01     0.00   0.00   0.00     0.01   0.00   0.00
    57   6     0.07   0.01   0.03    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    58   6    -0.03  -0.11   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    59   6    -0.03   0.05  -0.02     0.00   0.00   0.00     0.00   0.00   0.00
    60   6    -0.00   0.06  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    61   6     0.08  -0.06   0.05     0.00   0.00  -0.00    -0.00   0.00  -0.00
    62   6    -0.06  -0.04  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    63   6    -0.05   0.05  -0.03     0.00   0.00   0.00     0.01   0.00   0.00
    64   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00  -0.00
    65   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    66   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    67   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    68   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    69   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    70   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    71   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
    72   6    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    73   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    74   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    75   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    76   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    77   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    78   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    79   6    -0.00   0.00  -0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    80   8     0.00  -0.00  -0.00    -0.03   0.00   0.01     0.00   0.00  -0.00
    81  15     0.00   0.00   0.00    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    82   8    -0.00  -0.00  -0.00     0.03   0.09   0.18    -0.00  -0.00  -0.01
    83   8     0.00   0.00  -0.00     0.01  -0.20   0.02    -0.00   0.01  -0.00
    84   6     0.00   0.00   0.00    -0.05  -0.06  -0.22     0.00   0.00   0.01
    85   6    -0.00   0.00  -0.00     0.06  -0.01   0.08    -0.00   0.00  -0.00
    86   6     0.00  -0.00  -0.00    -0.03   0.24   0.00     0.00  -0.01  -0.00
    87   6    -0.00   0.00   0.00     0.02  -0.09  -0.06    -0.00   0.01   0.00
    88   1    -0.00   0.00  -0.00    -0.03  -0.21  -0.02     0.05  -0.35  -0.01
    89   1    -0.00   0.00  -0.00     0.04  -0.11   0.01     0.11  -0.30   0.06
    90   1    -0.00  -0.00  -0.00     0.14   0.08  -0.01     0.20   0.06  -0.02
    91   1    -0.00   0.00   0.00    -0.05   0.04   0.03    -0.03   0.05   0.04
    92   1    -0.00   0.00   0.00     0.05  -0.06  -0.02     0.06  -0.05  -0.00
    93   1    -0.00  -0.00  -0.00    -0.02  -0.04   0.06     0.04   0.01   0.06
    94   1    -0.00   0.00   0.00    -0.07  -0.02   0.04     0.25  -0.01  -0.09
    95   1     0.00  -0.00   0.00    -0.00  -0.09   0.03     0.02   0.20  -0.08
    96   1    -0.00   0.00   0.00    -0.15   0.05   0.00     0.49  -0.11  -0.04
    97   1    -0.02  -0.01  -0.02     0.01   0.03   0.04     0.03   0.06   0.06
    98   1     0.01   0.00   0.01     0.05   0.01   0.00     0.07   0.02   0.01
    99   1    -0.01  -0.01  -0.00     0.04   0.03   0.03     0.06   0.04   0.05
   100   1     0.02   0.01  -0.00     0.05  -0.01  -0.02     0.08  -0.02  -0.02
   101   1    -0.00   0.00   0.00     0.02  -0.08  -0.04     0.03  -0.12  -0.06
   102   1    -0.00   0.00  -0.00     0.06  -0.03   0.02     0.08  -0.05   0.02
   103   1    -0.00   0.00   0.00     0.05  -0.07  -0.02     0.08  -0.10  -0.02
   104   1     0.00  -0.00   0.00     0.08   0.00   0.04     0.14   0.01   0.04
   105   1     0.00  -0.00  -0.00    -0.09   0.05   0.06     0.13  -0.07  -0.09
   106   1    -0.00   0.00   0.00    -0.09  -0.07   0.02     0.12   0.07  -0.03
   107   1     0.00  -0.00  -0.00    -0.11   0.00   0.05     0.15   0.02  -0.06
   108   1    -0.00  -0.00   0.00    -0.05  -0.11   0.01     0.08   0.18  -0.04
   109   1    -0.18   0.38  -0.15     0.00   0.00   0.00     0.01   0.00   0.00
   110   1     0.12   0.12   0.04    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
   111   1    -0.18  -0.14  -0.05    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
   112   1    -0.20   0.33  -0.18     0.00  -0.00   0.00     0.01  -0.00   0.00
   113   1     0.01   0.41  -0.10     0.00   0.01  -0.00     0.00   0.01   0.00
   114   1     0.21   0.02   0.10     0.00   0.00   0.00    -0.01  -0.00  -0.00
   115   1    -0.16   0.00  -0.07    -0.01  -0.00  -0.00    -0.01   0.00  -0.00
   116   1    -0.06   0.43  -0.11     0.00   0.01  -0.00     0.01   0.01   0.00
   117   1    -0.01  -0.01   0.01     0.00  -0.01   0.00     0.01  -0.01   0.00
   118   1    -0.01   0.00   0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
   119   1     0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
   120   1    -0.00  -0.01   0.01    -0.00  -0.01   0.00    -0.00  -0.01   0.00
   121   1    -0.01  -0.01   0.01     0.01  -0.00  -0.00     0.01  -0.00  -0.00
   122   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.01   0.01  -0.00
   123   1     0.00  -0.00   0.00    -0.00   0.01  -0.00    -0.00   0.01  -0.00
   124   1    -0.01  -0.01   0.01     0.01  -0.00  -0.00     0.01  -0.01   0.00
   125   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00     0.01   0.00  -0.00
   126   1     0.00   0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.01   0.01
   127   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
   128   1    -0.00   0.00  -0.00    -0.01   0.01  -0.00     0.02  -0.01   0.00
   129   1    -0.00   0.00  -0.00    -0.00  -0.01   0.01     0.01   0.01  -0.01
   130   1     0.00   0.00  -0.00     0.01   0.00  -0.00    -0.02  -0.00   0.00
   131   1    -0.00  -0.00   0.00     0.01   0.00  -0.00    -0.01   0.00  -0.00
   132   1    -0.00   0.00  -0.00    -0.01  -0.01   0.00     0.01   0.00  -0.00
   133   1     0.00   0.00   0.00    -0.12  -0.03  -0.15     0.01   0.00   0.01
   134   1     0.00   0.00   0.00    -0.08  -0.03  -0.25     0.01   0.00   0.02
   135   1    -0.00   0.00  -0.00     0.21  -0.08   0.13    -0.01   0.00  -0.01
   136   1    -0.00   0.00   0.00     0.12  -0.04  -0.01    -0.01   0.00  -0.00
   137   1    -0.00   0.00   0.00     0.05  -0.08   0.00    -0.00   0.00  -0.00
   138   1     0.00  -0.00  -0.00    -0.07   0.27   0.06     0.00  -0.02  -0.00
   139   1     0.00  -0.00  -0.00    -0.02   0.27   0.07     0.00  -0.02  -0.00
   140   1     0.00   0.00   0.00    -0.01  -0.00  -0.12     0.00   0.00   0.01
   141   1    -0.00   0.00   0.00     0.07  -0.15  -0.22    -0.00   0.01   0.01
   142   1    -0.00  -0.00   0.00     0.06   0.00  -0.11    -0.00   0.00   0.01
   143  17     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
                    235                    236                    237
                      A                      A                      A
 Frequencies --   1076.8029              1092.3958              1123.0456
 Red. masses --      2.3682                 2.4130                 2.0201
 Frc consts  --      1.6178                 1.6965                 1.5011
 IR Inten    --     22.7590                23.0093                 2.0476
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.03  -0.00     0.03  -0.02   0.00     0.00   0.00  -0.00
     2   6     0.03   0.09  -0.01    -0.01   0.00  -0.01    -0.01   0.00   0.00
     3   6    -0.05  -0.03  -0.00     0.01   0.06   0.01     0.00  -0.00   0.00
     4   6     0.01  -0.01  -0.00     0.04  -0.02  -0.00     0.01  -0.01   0.00
     5   6    -0.01   0.05   0.00    -0.03  -0.00   0.00    -0.00   0.00   0.00
     6   6    -0.06  -0.08   0.01    -0.00   0.02  -0.00     0.00   0.00  -0.00
     7   6     0.02  -0.06   0.00    -0.05   0.03  -0.02     0.00  -0.00  -0.00
     8   6     0.06   0.01   0.02     0.04   0.02   0.03     0.00   0.00   0.00
     9   6     0.00  -0.01  -0.01     0.09   0.08  -0.03    -0.00   0.01  -0.01
    10   6     0.02  -0.06   0.02    -0.01  -0.04   0.02     0.00  -0.00   0.00
    11   6    -0.04   0.08  -0.01    -0.01  -0.12  -0.01    -0.00   0.00  -0.00
    12   6    -0.02  -0.00  -0.00     0.10   0.01   0.02     0.00   0.00   0.00
    13   6     0.02  -0.09  -0.01    -0.05   0.10  -0.01    -0.00  -0.00  -0.00
    14   6    -0.01   0.04  -0.00    -0.03  -0.05  -0.01    -0.00   0.00  -0.00
    15   7    -0.06   0.04  -0.01    -0.05  -0.00   0.01     0.00  -0.00  -0.00
    16   6    -0.01  -0.00   0.00    -0.04  -0.03   0.03    -0.00  -0.00   0.00
    17   6     0.01   0.02  -0.01    -0.02   0.02  -0.01    -0.01   0.00  -0.00
    18   7    -0.01   0.01  -0.00    -0.04  -0.01   0.01    -0.00  -0.00   0.00
    19   6     0.03  -0.00  -0.00     0.02   0.01  -0.01     0.00  -0.00   0.00
    20   6    -0.03   0.07  -0.03    -0.01   0.03  -0.01    -0.00   0.00  -0.00
    21   6    -0.05  -0.03   0.02    -0.02  -0.03   0.02     0.00  -0.00  -0.00
    22   6     0.04  -0.06   0.02     0.04  -0.00  -0.01     0.00  -0.00   0.00
    23   6     0.07  -0.06   0.01     0.04  -0.03   0.00     0.00  -0.00   0.00
    24   6    -0.03  -0.01  -0.01     0.13   0.05   0.04     0.00   0.00   0.00
    25   6    -0.07  -0.03   0.03    -0.05  -0.02   0.01     0.00   0.00  -0.00
    26   6    -0.01   0.01   0.00     0.02  -0.02  -0.02     0.00  -0.00  -0.00
    27   6     0.01   0.01   0.01    -0.02  -0.03  -0.03    -0.00  -0.00  -0.00
    28   6     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    29   6     0.01  -0.00  -0.00    -0.06   0.00   0.00    -0.00   0.00   0.00
    30   6     0.00  -0.01  -0.01    -0.01   0.03   0.03     0.00   0.00   0.00
    31   6     0.02   0.02   0.01     0.01   0.01   0.01     0.00   0.00   0.00
    32   6    -0.02   0.03   0.01    -0.01   0.01   0.00    -0.00   0.00   0.00
    33   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    34   6    -0.04   0.01  -0.01    -0.02   0.01  -0.01    -0.00  -0.00  -0.00
    35   6    -0.01  -0.03  -0.02    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    36   6     0.00  -0.03  -0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
    37   6     0.03  -0.01  -0.01     0.02  -0.01  -0.01    -0.00   0.00   0.00
    38   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    39   6     0.02   0.03  -0.00     0.01   0.02  -0.00    -0.00  -0.00   0.00
    40   6    -0.01   0.03   0.01    -0.01   0.01   0.01     0.00  -0.00  -0.00
    41   7     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    42   7    -0.00  -0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    43   7    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    44   6    -0.00  -0.00  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
    45   6    -0.00  -0.00  -0.00     0.01   0.00   0.00     0.00  -0.00   0.00
    46   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    47   6    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.00   0.00   0.00
    48   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    49   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    50   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    51   6     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    52   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    53   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    54   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    55   6    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    56   6     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    57   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    58   6    -0.00  -0.00   0.00     0.00   0.01  -0.00     0.00   0.00   0.00
    59   6     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    60   6     0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    61   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    62   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    63   6     0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    64   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    65   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    66   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    67   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    68   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    69   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    70   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    71   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    72   6     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    73   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    74   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    75   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    76   6     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    77   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    78   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    79   6     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    80   8    -0.01   0.00   0.00     0.01   0.00  -0.00     0.02   0.00  -0.01
    81  15    -0.00   0.00  -0.00    -0.00   0.01   0.00    -0.00  -0.00   0.00
    82   8     0.01   0.02   0.04     0.00   0.01   0.02    -0.04   0.03   0.00
    83   8     0.00  -0.05   0.00     0.00  -0.03  -0.00    -0.00  -0.01   0.00
    84   6    -0.01  -0.01  -0.04    -0.01  -0.00  -0.02     0.17  -0.14   0.02
    85   6     0.01  -0.01   0.01     0.01  -0.00   0.00    -0.13   0.14   0.04
    86   6    -0.01   0.05   0.00    -0.00   0.03   0.00     0.00   0.00  -0.02
    87   6     0.01  -0.02  -0.02     0.00  -0.01  -0.01    -0.00  -0.01   0.02
    88   1    -0.10   0.45  -0.04     0.02  -0.08   0.06    -0.01   0.02  -0.00
    89   1    -0.11   0.35  -0.07    -0.05   0.07  -0.02    -0.01   0.03  -0.01
    90   1    -0.24  -0.05   0.03    -0.02   0.02   0.00     0.01   0.00   0.00
    91   1     0.10   0.26   0.03    -0.23  -0.44  -0.14     0.00   0.01   0.00
    92   1     0.15  -0.11   0.01    -0.33   0.14  -0.05    -0.00  -0.00  -0.00
    93   1     0.02   0.09   0.07    -0.19  -0.28  -0.21    -0.00  -0.00   0.00
    94   1     0.20  -0.04  -0.05     0.17  -0.02  -0.05     0.01  -0.00   0.00
    95   1     0.07   0.19  -0.09     0.03   0.08  -0.03     0.00   0.00  -0.00
    96   1     0.31  -0.09  -0.02     0.32  -0.03  -0.04     0.02  -0.00  -0.00
    97   1     0.01   0.03   0.03    -0.06  -0.14  -0.12    -0.00  -0.00  -0.00
    98   1     0.03   0.01   0.01    -0.11  -0.04  -0.03    -0.00  -0.00  -0.00
    99   1     0.03   0.02   0.01    -0.14  -0.08  -0.07    -0.00  -0.00  -0.00
   100   1     0.04  -0.02  -0.00    -0.17   0.06   0.01    -0.00   0.00   0.00
   101   1    -0.02   0.12   0.05    -0.01   0.06   0.02    -0.00   0.00   0.00
   102   1    -0.09   0.06  -0.02    -0.03   0.02  -0.01    -0.00   0.00   0.00
   103   1    -0.08   0.10   0.01    -0.04   0.05   0.01    -0.00   0.00  -0.00
   104   1    -0.15  -0.01  -0.03    -0.04  -0.00  -0.03    -0.01  -0.00  -0.00
   105   1     0.09  -0.05  -0.05     0.05  -0.02  -0.03    -0.00   0.00   0.00
   106   1     0.08   0.04  -0.02     0.04   0.01  -0.01    -0.00  -0.00   0.00
   107   1     0.09   0.01  -0.04     0.05   0.01  -0.02    -0.00  -0.00   0.00
   108   1     0.05   0.11  -0.02     0.03   0.07  -0.03    -0.00  -0.00  -0.00
   109   1     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.00  -0.00   0.00
   110   1    -0.00  -0.00  -0.00     0.01   0.02   0.00     0.00   0.00   0.00
   111   1    -0.00  -0.00  -0.00     0.02   0.01   0.01     0.00   0.00   0.00
   112   1     0.00  -0.00   0.00    -0.02   0.01  -0.01    -0.00   0.00  -0.00
   113   1     0.00   0.00   0.00    -0.01  -0.02   0.00    -0.00  -0.00   0.00
   114   1    -0.00  -0.00  -0.00     0.02   0.01   0.01     0.00   0.00   0.00
   115   1    -0.00   0.00  -0.00     0.02  -0.01   0.01     0.00  -0.00   0.00
   116   1     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.00   0.00  -0.00
   117   1    -0.01   0.01  -0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
   118   1     0.01  -0.00  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
   119   1     0.01  -0.01  -0.00     0.01  -0.00  -0.00     0.00  -0.00   0.00
   120   1    -0.00   0.01  -0.00     0.00   0.01  -0.00    -0.00   0.00  -0.00
   121   1    -0.01  -0.00   0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
   122   1     0.01  -0.01   0.00     0.01  -0.01   0.00     0.00  -0.00  -0.00
   123   1     0.00  -0.01   0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
   124   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
   125   1     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   126   1    -0.00  -0.01   0.01    -0.00  -0.01   0.01     0.00   0.00  -0.00
   127   1    -0.01  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
   128   1     0.01  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
   129   1     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   130   1    -0.01  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
   131   1    -0.01   0.00  -0.00    -0.01   0.00  -0.00     0.00  -0.00   0.00
   132   1     0.01   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
   133   1    -0.03  -0.00  -0.03    -0.01   0.00  -0.01     0.18  -0.16  -0.04
   134   1    -0.02  -0.00  -0.05    -0.01  -0.00  -0.02     0.16  -0.09   0.03
   135   1     0.03  -0.01   0.02     0.01  -0.00   0.00     0.35  -0.18   0.25
   136   1     0.03  -0.01   0.01     0.02  -0.00   0.01    -0.26   0.02  -0.50
   137   1     0.02  -0.01   0.01     0.01  -0.00   0.01    -0.29  -0.10  -0.42
   138   1    -0.01   0.05   0.01    -0.01   0.01   0.01     0.00   0.01  -0.02
   139   1    -0.00   0.05   0.02    -0.00   0.02   0.01     0.01   0.00  -0.01
   140   1     0.00  -0.01  -0.03     0.00  -0.01  -0.01    -0.02   0.05   0.01
   141   1     0.01  -0.02  -0.04     0.00  -0.00  -0.01     0.01  -0.03  -0.04
   142   1     0.01  -0.01  -0.02     0.01  -0.01  -0.02    -0.00   0.05   0.02
   143  17     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
                    238                    239                    240
                      A                      A                      A
 Frequencies --   1127.1799              1128.7353              1128.8586
 Red. masses --      2.0369                 2.0881                 2.0878
 Frc consts  --      1.5248                 1.5674                 1.5675
 IR Inten    --     19.7789                 8.0678                 4.2871
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
     2   6     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    10   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
    13   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    14   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    16   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    17   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   7     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   6     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    21   6    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    24   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    25   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02   0.00   0.00
    27   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.01
    28   6     0.00   0.00   0.00    -0.01  -0.00  -0.00     0.04   0.02   0.02
    29   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
    30   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.01  -0.01
    31   6    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.03  -0.00   0.01
    32   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
    33   6     0.00  -0.00  -0.00    -0.01   0.01  -0.00    -0.07   0.06  -0.00
    34   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    35   6    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.01  -0.03  -0.01
    36   6    -0.00  -0.00  -0.00     0.02   0.03  -0.00    -0.00  -0.00   0.00
    37   6     0.00  -0.00  -0.00    -0.01   0.02   0.01     0.00  -0.00  -0.00
    38   6    -0.00  -0.00   0.00    -0.09  -0.03   0.03     0.01   0.00  -0.00
    39   6     0.00   0.00  -0.00     0.00  -0.02  -0.00    -0.00   0.00   0.00
    40   6    -0.00   0.00   0.00     0.03  -0.01  -0.02    -0.00   0.00   0.00
    41   7     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.03   0.02  -0.00
    42   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.02   0.01   0.01
    43   7    -0.00  -0.00   0.00    -0.03  -0.01   0.01     0.00   0.00  -0.00
    44   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.01
    45   6    -0.00   0.00  -0.00     0.01  -0.00   0.00    -0.05   0.01  -0.02
    46   6    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.03  -0.04  -0.01
    47   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.01  -0.00
    48   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.02  -0.03   0.01
    49   6    -0.00   0.00  -0.00     0.01  -0.02   0.00     0.03  -0.08   0.02
    50   6    -0.00   0.00   0.00     0.02  -0.00  -0.00     0.08  -0.02  -0.01
    51   6    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.03  -0.02  -0.01
    52   6     0.00  -0.00   0.00     0.04   0.00  -0.00    -0.00  -0.00   0.00
    53   6     0.00  -0.00   0.00     0.10  -0.00  -0.00    -0.01   0.00   0.00
    54   6     0.00   0.00  -0.00     0.06   0.06  -0.05    -0.01  -0.01   0.01
    55   6    -0.00   0.00  -0.00     0.03   0.02  -0.02    -0.00  -0.00   0.00
    56   6     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.04   0.04   0.01
    57   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.02  -0.01
    58   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.01  -0.01
    59   6     0.00   0.00   0.00    -0.01  -0.00  -0.00     0.05   0.02   0.02
    60   6     0.00   0.00   0.00    -0.01  -0.00  -0.00     0.05   0.02   0.02
    61   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.01  -0.01
    62   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.01
    63   6     0.00  -0.00   0.00    -0.01   0.00  -0.00     0.05  -0.00   0.02
    64   6     0.00  -0.00  -0.00    -0.02   0.01   0.00    -0.09   0.03   0.01
    65   6    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.04  -0.02  -0.00
    66   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.02   0.00
    67   6     0.00  -0.00  -0.00    -0.02   0.01  -0.00    -0.07   0.06  -0.00
    68   6     0.00  -0.00   0.00    -0.02   0.01  -0.00    -0.08   0.06  -0.00
    69   6    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.02  -0.02   0.00
    70   6    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.03  -0.04   0.01
    71   6     0.00  -0.00   0.00    -0.01   0.02  -0.00    -0.04   0.08  -0.02
    72   6    -0.00  -0.00   0.00    -0.07  -0.06   0.06     0.01   0.01  -0.01
    73   6     0.00   0.00  -0.00     0.04   0.03  -0.03    -0.00  -0.00   0.00
    74   6     0.00  -0.00   0.00     0.03   0.01  -0.01    -0.00  -0.00   0.00
    75   6    -0.00  -0.00   0.00    -0.10  -0.03   0.04     0.01   0.00  -0.00
    76   6    -0.00  -0.00   0.00    -0.10  -0.04   0.04     0.01   0.00  -0.00
    77   6     0.00   0.00  -0.00     0.03   0.01  -0.01    -0.00  -0.00   0.00
    78   6     0.00  -0.00   0.00     0.05   0.01  -0.01    -0.01  -0.00   0.00
    79   6    -0.00   0.00  -0.00    -0.11  -0.00   0.01     0.01   0.00  -0.00
    80   8    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    81  15     0.01   0.00   0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
    82   8    -0.01   0.00  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    83   8     0.01  -0.00  -0.06     0.00   0.00  -0.00     0.00   0.00  -0.00
    84   6     0.02  -0.02   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    85   6    -0.01   0.02   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    86   6    -0.04   0.01   0.21    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    87   6     0.03   0.05  -0.19     0.00   0.00  -0.00     0.00   0.00  -0.00
    88   1     0.01  -0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.03  -0.00
    89   1     0.02  -0.03   0.01    -0.00   0.00  -0.00     0.01  -0.01   0.00
    90   1    -0.02   0.00   0.00     0.01  -0.00   0.00     0.02   0.00   0.00
    91   1     0.00  -0.00  -0.00     0.00   0.01   0.00    -0.01  -0.01  -0.01
    92   1    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.01   0.00   0.00
    93   1     0.01   0.01  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    94   1    -0.00   0.01   0.01     0.01  -0.00  -0.01    -0.00   0.00   0.00
    95   1    -0.00  -0.00  -0.00     0.01   0.02  -0.01    -0.00  -0.00   0.00
    96   1    -0.01   0.00   0.00     0.05  -0.01  -0.01    -0.00   0.00   0.00
    97   1    -0.00   0.00   0.00     0.01   0.00   0.00    -0.03  -0.01  -0.02
    98   1    -0.01   0.00   0.00     0.01  -0.00  -0.00    -0.08   0.00   0.01
    99   1    -0.00  -0.00  -0.00     0.01   0.01   0.01    -0.03  -0.05  -0.05
   100   1    -0.00  -0.00  -0.00     0.01   0.00   0.00    -0.04  -0.02  -0.01
   101   1    -0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.05  -0.05  -0.01
   102   1    -0.00  -0.00  -0.00     0.02  -0.00   0.01     0.12  -0.02   0.06
   103   1     0.00   0.00   0.00     0.01  -0.02  -0.01     0.04  -0.12  -0.05
   104   1     0.00   0.00  -0.00     0.01  -0.01   0.00     0.05  -0.04   0.01
   105   1     0.00  -0.00  -0.00     0.06   0.02  -0.03    -0.01  -0.00   0.00
   106   1     0.00   0.00  -0.00     0.09   0.12  -0.00    -0.01  -0.01   0.00
   107   1     0.00  -0.00  -0.00     0.12  -0.05  -0.08    -0.01   0.01   0.01
   108   1     0.00   0.00   0.00     0.07   0.03  -0.02    -0.01  -0.00   0.00
   109   1    -0.00   0.01  -0.00     0.00  -0.02   0.01    -0.01   0.12  -0.03
   110   1    -0.01  -0.02  -0.00     0.02   0.04   0.00    -0.11  -0.20  -0.01
   111   1    -0.01  -0.00  -0.01     0.03   0.00   0.01    -0.14  -0.02  -0.06
   112   1     0.01  -0.01   0.01    -0.02   0.01  -0.01     0.10  -0.05   0.06
   113   1     0.01   0.01  -0.00    -0.01  -0.02   0.00     0.06   0.12  -0.01
   114   1    -0.01  -0.01  -0.00     0.02   0.02   0.01    -0.12  -0.08  -0.04
   115   1    -0.02   0.01  -0.01     0.04  -0.02   0.02    -0.19   0.08  -0.10
   116   1     0.01  -0.01   0.00    -0.01   0.02  -0.01     0.05  -0.10   0.04
   117   1     0.01   0.01  -0.00    -0.03  -0.02   0.02    -0.15  -0.11   0.08
   118   1    -0.02   0.00   0.00     0.08  -0.00  -0.02     0.37  -0.00  -0.10
   119   1    -0.01   0.01  -0.00     0.03  -0.04   0.01     0.16  -0.20   0.03
   120   1     0.00  -0.01   0.00    -0.00   0.04  -0.02    -0.02   0.21  -0.08
   121   1     0.01   0.00  -0.00    -0.04  -0.00   0.02    -0.21  -0.01   0.07
   122   1    -0.01   0.01   0.00     0.05  -0.03  -0.00     0.22  -0.12  -0.02
   123   1    -0.00   0.02  -0.01     0.01  -0.08   0.02     0.06  -0.37   0.11
   124   1    -0.00  -0.01   0.00     0.02   0.04  -0.02     0.09   0.17  -0.08
   125   1     0.00  -0.00   0.00     0.06  -0.17   0.15    -0.01   0.02  -0.02
   126   1     0.00   0.00  -0.00     0.15   0.30  -0.29    -0.02  -0.03   0.03
   127   1     0.00   0.00  -0.00     0.29   0.05  -0.06    -0.03  -0.01   0.01
   128   1    -0.00   0.00   0.00    -0.24   0.06  -0.06     0.03  -0.01   0.01
   129   1    -0.00  -0.00   0.00    -0.07  -0.17   0.18     0.01   0.02  -0.02
   130   1     0.00   0.00  -0.00     0.22   0.13  -0.13    -0.02  -0.01   0.01
   131   1     0.00  -0.00   0.00     0.42  -0.10   0.07    -0.05   0.01  -0.01
   132   1    -0.00   0.00  -0.00    -0.15   0.14  -0.12     0.02  -0.02   0.01
   133   1     0.02  -0.02  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
   134   1     0.01  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
   135   1     0.03  -0.02   0.03    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
   136   1    -0.03   0.00  -0.05     0.00  -0.00   0.00    -0.00   0.00  -0.00
   137   1    -0.03  -0.01  -0.04     0.00   0.00   0.00    -0.00   0.00   0.00
   138   1    -0.04  -0.04   0.22    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   139   1    -0.06   0.01   0.19    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   140   1     0.16  -0.48  -0.15     0.00  -0.01  -0.00     0.00  -0.01  -0.00
   141   1    -0.10   0.26   0.39    -0.00   0.00   0.01    -0.00   0.00   0.01
   142   1     0.03  -0.50  -0.21     0.00  -0.01  -0.00     0.00  -0.01  -0.00
   143  17    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
                    241                    242                    243
                      A                      A                      A
 Frequencies --   1128.9525              1141.6740              1141.8263
 Red. masses --      2.0852                 1.3387                 1.3373
 Frc consts  --      1.5658                 1.0281                 1.0272
 IR Inten    --      5.4877                 4.8988                 6.4730
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.01   0.01  -0.01
     2   6    -0.01  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     3   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.00   0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.01  -0.01   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    12   6    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.01
    13   6     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   7     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   7     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   6    -0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    21   6     0.00   0.00  -0.00     0.01  -0.01   0.01     0.00  -0.00   0.00
    22   6    -0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    23   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02   0.03   0.02
    24   6    -0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.02   0.02
    25   6     0.00   0.00  -0.00     0.01  -0.06  -0.02     0.00  -0.00  -0.00
    26   6     0.03  -0.00  -0.00    -0.00  -0.00  -0.00     0.05   0.00   0.00
    27   6     0.00  -0.01  -0.01     0.00   0.00   0.00    -0.03  -0.03  -0.03
    28   6    -0.08  -0.03  -0.03     0.00  -0.00  -0.00    -0.01   0.02   0.01
    29   6    -0.01   0.01   0.01    -0.00   0.00  -0.00     0.05   0.00   0.00
    30   6     0.01   0.02   0.02     0.00   0.00   0.00    -0.03  -0.03  -0.02
    31   6     0.02  -0.00   0.01     0.00  -0.00   0.00    -0.06   0.02  -0.01
    32   6     0.00   0.01   0.00    -0.00   0.00   0.00     0.03  -0.05  -0.01
    33   6    -0.04   0.03  -0.00    -0.00  -0.00  -0.00     0.02   0.02   0.02
    34   6    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.06   0.02  -0.01
    35   6     0.00  -0.01  -0.01    -0.00   0.00   0.00     0.03  -0.05  -0.01
    36   6    -0.00  -0.01   0.00     0.05   0.05  -0.01     0.00   0.00  -0.00
    37   6     0.00  -0.00  -0.00    -0.07   0.01   0.03    -0.00   0.00   0.00
    38   6     0.02   0.01  -0.01     0.01  -0.04  -0.01     0.00  -0.00  -0.00
    39   6    -0.00   0.00   0.00     0.05   0.05  -0.01     0.00   0.00  -0.00
    40   6    -0.01   0.00   0.00    -0.07   0.01   0.03    -0.00   0.00   0.00
    41   7    -0.01   0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    42   7    -0.03  -0.01  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    43   7     0.01   0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.00
    44   6     0.03   0.00   0.02     0.00   0.00   0.00    -0.00  -0.01  -0.00
    45   6     0.08  -0.01   0.04    -0.00   0.00  -0.00     0.00  -0.00   0.00
    46   6     0.06   0.06   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    47   6     0.03   0.02   0.01    -0.00   0.00  -0.00     0.01  -0.00   0.00
    48   6     0.01  -0.02   0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
    49   6     0.02  -0.04   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    50   6     0.05  -0.01  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    51   6     0.02  -0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    52   6    -0.01  -0.00   0.00     0.01   0.01  -0.01     0.00   0.00  -0.00
    53   6    -0.02   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    54   6    -0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    55   6    -0.01  -0.00   0.00    -0.02   0.00  -0.00    -0.00   0.00  -0.00
    56   6    -0.06  -0.07  -0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
    57   6     0.03   0.03   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    58   6     0.03   0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    59   6    -0.09  -0.03  -0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
    60   6    -0.08  -0.04  -0.03    -0.00  -0.00   0.00     0.00   0.00   0.00
    61   6     0.03   0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    62   6     0.04   0.00   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    63   6    -0.08   0.00  -0.04    -0.00  -0.00  -0.00     0.00   0.00   0.00
    64   6    -0.05   0.02   0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    65   6     0.02  -0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    66   6     0.01  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    67   6    -0.04   0.04  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    68   6    -0.04   0.03  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    69   6     0.01  -0.01   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    70   6     0.01  -0.02   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    71   6    -0.02   0.05  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    72   6     0.01   0.01  -0.01     0.01   0.00  -0.00     0.00   0.00  -0.00
    73   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    74   6    -0.01  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    75   6     0.02   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    76   6     0.02   0.01  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    77   6    -0.01  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    78   6    -0.01  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    79   6     0.02   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    80   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    81  15     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    82   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    83   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    84   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    85   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    86   6    -0.00  -0.00   0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
    87   6     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    88   1    -0.00  -0.02  -0.01     0.00  -0.01   0.00     0.01  -0.05  -0.02
    89   1     0.00  -0.01   0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    90   1     0.04  -0.00   0.00    -0.01   0.00   0.00    -0.05   0.00  -0.03
    91   1     0.01   0.03   0.01    -0.00  -0.00   0.00    -0.01  -0.03  -0.03
    92   1     0.05  -0.01   0.01    -0.00   0.00   0.00     0.03  -0.00  -0.01
    93   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    94   1    -0.01   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    95   1    -0.00  -0.00   0.00     0.03   0.05   0.01     0.00   0.00   0.00
    96   1    -0.02   0.00   0.00    -0.07   0.03   0.04     0.00   0.00   0.00
    97   1     0.06   0.03   0.03    -0.01  -0.01  -0.01     0.18   0.16   0.15
    98   1     0.12  -0.01  -0.02     0.02   0.00   0.00    -0.31  -0.03  -0.02
    99   1     0.06   0.09   0.09    -0.01  -0.01  -0.01     0.20   0.18   0.17
   100   1     0.06   0.03   0.01     0.02   0.00   0.00    -0.28  -0.03  -0.03
   101   1     0.03  -0.03  -0.00     0.00  -0.00  -0.00    -0.19   0.30   0.07
   102   1     0.06  -0.01   0.03    -0.00   0.00  -0.00     0.36  -0.15   0.09
   103   1     0.02  -0.07  -0.03     0.00  -0.00  -0.00    -0.21   0.34   0.08
   104   1     0.03  -0.02   0.00     0.00   0.00  -0.00     0.33  -0.14   0.08
   105   1    -0.01  -0.00   0.01     0.42  -0.02  -0.20     0.01  -0.00  -0.01
   106   1    -0.02  -0.02   0.00    -0.38  -0.32   0.09    -0.01  -0.01   0.00
   107   1    -0.02   0.01   0.01     0.46  -0.03  -0.23     0.01  -0.00  -0.01
   108   1    -0.01  -0.01   0.00    -0.35  -0.28   0.09    -0.01  -0.01   0.00
   109   1     0.02  -0.20   0.04     0.00  -0.00   0.00    -0.01   0.01  -0.01
   110   1     0.18   0.34   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
   111   1     0.23   0.04   0.10    -0.00  -0.00  -0.00     0.00   0.00   0.00
   112   1    -0.17   0.09  -0.11     0.00  -0.00   0.00    -0.01   0.02  -0.01
   113   1    -0.09  -0.20   0.01    -0.00  -0.00   0.00     0.00   0.02  -0.01
   114   1     0.20   0.14   0.06     0.00  -0.00   0.00    -0.00   0.00  -0.00
   115   1     0.32  -0.14   0.17     0.00  -0.00   0.00    -0.01   0.00  -0.00
   116   1    -0.09   0.17  -0.07    -0.00  -0.00   0.00     0.00   0.01  -0.00
   117   1    -0.09  -0.06   0.04    -0.00  -0.00   0.00     0.00   0.02  -0.01
   118   1     0.21  -0.00  -0.06     0.00   0.00  -0.00     0.01   0.00  -0.00
   119   1     0.09  -0.11   0.02     0.00  -0.00   0.00     0.00  -0.00  -0.00
   120   1    -0.01   0.12  -0.04    -0.00  -0.00   0.00     0.01   0.02  -0.01
   121   1    -0.12  -0.01   0.04    -0.00  -0.00   0.00     0.02   0.01  -0.01
   122   1     0.12  -0.07  -0.01     0.00  -0.00  -0.00    -0.00   0.00  -0.00
   123   1     0.03  -0.21   0.06     0.00  -0.00   0.00    -0.00   0.01  -0.00
   124   1     0.05   0.09  -0.04    -0.00   0.00  -0.00     0.02   0.00  -0.01
   125   1    -0.01   0.03  -0.03     0.02  -0.01   0.01     0.00  -0.00   0.00
   126   1    -0.03  -0.05   0.05    -0.00  -0.01   0.00    -0.00  -0.00   0.00
   127   1    -0.05  -0.01   0.01    -0.01  -0.00   0.00    -0.00  -0.00   0.00
   128   1     0.04  -0.01   0.01     0.03  -0.02   0.02     0.00  -0.00   0.00
   129   1     0.01   0.03  -0.03     0.01  -0.03   0.03     0.00  -0.00   0.00
   130   1    -0.04  -0.02   0.02     0.01   0.00  -0.00     0.00  -0.00   0.00
   131   1    -0.08   0.02  -0.01     0.02  -0.00   0.00     0.00  -0.00   0.00
   132   1     0.03  -0.03   0.02    -0.01  -0.01   0.01    -0.00  -0.00   0.00
   133   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   134   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
   135   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   136   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   137   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   138   1    -0.00  -0.00   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
   139   1    -0.00  -0.00   0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
   140   1     0.01  -0.03  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
   141   1    -0.01   0.02   0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   142   1     0.00  -0.03  -0.01    -0.00   0.00   0.00     0.00   0.00   0.00
   143  17     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                    244                    245                    246
                      A                      A                      A
 Frequencies --   1142.3009              1147.2807              1147.4060
 Red. masses --      1.3351                 1.4965                 1.4985
 Frc consts  --      1.0264                 1.1606                 1.1624
 IR Inten    --      1.4421                 6.6196                 7.1699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.01   0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   7     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    19   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    21   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    22   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   6     0.02   0.03   0.02    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    24   6     0.02  -0.03  -0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    26   6    -0.06  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    27   6     0.03   0.04   0.03     0.00   0.00   0.00     0.00   0.00   0.00
    28   6     0.02  -0.03  -0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
    29   6    -0.06  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    30   6     0.04   0.04   0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    31   6    -0.04   0.01  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    32   6     0.02  -0.04  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   6     0.02   0.02   0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    34   6    -0.04   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    35   6     0.02  -0.04  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    36   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    37   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    38   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    39   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    40   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    41   7    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.02   0.03  -0.01
    42   7    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    43   7    -0.00  -0.00  -0.00    -0.02   0.03  -0.02    -0.00   0.00  -0.00
    44   6     0.01   0.01   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    45   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    46   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    47   6    -0.01   0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    48   6    -0.01   0.00   0.00     0.00  -0.00   0.00    -0.04   0.04  -0.00
    49   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.04  -0.02   0.02
    50   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.04   0.02
    51   6     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.04  -0.03  -0.00
    52   6    -0.00  -0.00   0.00    -0.05  -0.01   0.02    -0.00  -0.00   0.00
    53   6     0.00  -0.00   0.00     0.01  -0.04   0.03     0.00  -0.00   0.00
    54   6     0.00  -0.00   0.00     0.04  -0.03   0.02     0.00  -0.00   0.00
    55   6     0.00  -0.00   0.00     0.05   0.02  -0.02     0.00   0.00  -0.00
    56   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.01  -0.00
    57   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
    58   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    59   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.01  -0.00  -0.00
    60   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    61   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    62   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    63   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    64   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.08  -0.01   0.02
    65   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.05   0.02  -0.02
    66   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.03   0.00
    67   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.04   0.06  -0.01
    68   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.06  -0.03  -0.01
    69   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.02   0.00
    70   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.05  -0.02
    71   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.08   0.03
    72   6    -0.00  -0.00   0.00    -0.02  -0.06   0.06    -0.00  -0.00   0.00
    73   6     0.00   0.00  -0.00    -0.00   0.04  -0.04    -0.00   0.00  -0.00
    74   6    -0.00   0.00  -0.00     0.04   0.01  -0.01     0.00   0.00  -0.00
    75   6    -0.00   0.00  -0.00    -0.06  -0.01   0.01    -0.00  -0.00   0.00
    76   6     0.00   0.00  -0.00     0.05   0.03  -0.03     0.00   0.00  -0.00
    77   6    -0.00   0.00  -0.00    -0.03  -0.02   0.02    -0.00  -0.00   0.00
    78   6    -0.00   0.00  -0.00    -0.04   0.03  -0.02    -0.00   0.00  -0.00
    79   6     0.00   0.00  -0.00     0.08  -0.02   0.02     0.00  -0.00   0.00
    80   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    81  15     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    82   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    83   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    84   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    85   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    86   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    87   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    88   1     0.01  -0.03  -0.02     0.00  -0.00   0.00     0.00   0.00   0.00
    89   1     0.01  -0.03   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    90   1    -0.04   0.01  -0.02    -0.01   0.00   0.00    -0.00   0.00   0.00
    91   1     0.01   0.04   0.04     0.00  -0.00  -0.00     0.00   0.00   0.00
    92   1    -0.04   0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    93   1     0.01   0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    94   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    95   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    96   1    -0.01  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    97   1    -0.23  -0.20  -0.19     0.00   0.00   0.00    -0.00  -0.00  -0.00
    98   1     0.41   0.04   0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    99   1    -0.25  -0.23  -0.21     0.00   0.00   0.00    -0.00  -0.00  -0.00
   100   1     0.37   0.04   0.03    -0.00  -0.00  -0.00     0.00   0.00  -0.00
   101   1    -0.15   0.23   0.05     0.00   0.00  -0.00     0.01  -0.01  -0.01
   102   1     0.28  -0.12   0.07    -0.00   0.00  -0.00    -0.04   0.00   0.00
   103   1    -0.16   0.26   0.06     0.00  -0.00  -0.00     0.01  -0.04   0.00
   104   1     0.26  -0.11   0.06     0.00   0.00  -0.00    -0.02   0.01  -0.01
   105   1    -0.01   0.00   0.01     0.02  -0.00  -0.01     0.00  -0.00  -0.00
   106   1     0.01   0.01  -0.00    -0.02  -0.03   0.02     0.00   0.00   0.00
   107   1    -0.02   0.00   0.01     0.04  -0.01  -0.00     0.00   0.00   0.00
   108   1     0.01   0.01  -0.00    -0.02  -0.01   0.00     0.00   0.00  -0.00
   109   1     0.01  -0.01   0.01    -0.00   0.00  -0.00     0.01  -0.02   0.01
   110   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.03  -0.00
   111   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.03   0.01   0.01
   112   1     0.01  -0.02   0.01     0.00  -0.00   0.00    -0.02   0.02  -0.02
   113   1    -0.00  -0.03   0.01    -0.00  -0.00   0.00     0.01   0.03  -0.01
   114   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.03  -0.02  -0.01
   115   1     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.03   0.02  -0.02
   116   1    -0.01  -0.02   0.00    -0.00   0.00  -0.00     0.01  -0.02   0.01
   117   1    -0.00   0.01  -0.00     0.00   0.00  -0.00    -0.16  -0.17   0.10
   118   1     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.36   0.04  -0.11
   119   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.22  -0.29   0.04
   120   1     0.01   0.02  -0.01    -0.00  -0.00   0.00     0.07   0.32  -0.14
   121   1     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.31   0.12  -0.14
   122   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.32   0.18   0.03
   123   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.36  -0.12
   124   1     0.01   0.00  -0.01     0.00   0.00  -0.00    -0.14  -0.18   0.10
   125   1    -0.00   0.00  -0.00     0.10  -0.17   0.15     0.00  -0.00   0.00
   126   1     0.00   0.00  -0.00     0.09   0.26  -0.25     0.00   0.00  -0.00
   127   1     0.00   0.00  -0.00     0.36   0.05  -0.07     0.00   0.00  -0.00
   128   1    -0.00   0.00  -0.00    -0.29   0.16  -0.15    -0.00   0.00  -0.00
   129   1    -0.00   0.00  -0.00    -0.01   0.26  -0.25    -0.00   0.00  -0.00
   130   1    -0.00  -0.00   0.00    -0.28  -0.17   0.17    -0.00  -0.00   0.00
   131   1    -0.00   0.00  -0.00    -0.35   0.12  -0.08    -0.00   0.00  -0.00
   132   1     0.00   0.00  -0.00     0.12  -0.17   0.14     0.00  -0.00   0.00
   133   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   134   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   135   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   136   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   137   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   138   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   139   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   140   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   141   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   142   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   143  17     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    247                    248                    249
                      A                      A                      A
 Frequencies --   1147.4356              1148.5286              1158.8118
 Red. masses --      1.4992                 1.9781                 2.7195
 Frc consts  --      1.1630                 1.5374                 2.1516
 IR Inten    --      5.6264                10.8685                15.1280
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.03   0.02  -0.00     0.01   0.01  -0.00
     2   6    -0.00  -0.00   0.00    -0.11  -0.03   0.01    -0.04  -0.00   0.00
     3   6     0.00   0.00  -0.00     0.07   0.02  -0.00    -0.02  -0.08   0.01
     4   6     0.00   0.00  -0.00     0.09   0.03  -0.00     0.09  -0.08   0.01
     5   6    -0.00  -0.00   0.00    -0.11  -0.01   0.01     0.01   0.03  -0.00
     6   6     0.00  -0.00  -0.00     0.07  -0.03  -0.00     0.00   0.02  -0.00
     7   6     0.00  -0.00   0.00     0.03  -0.07   0.02    -0.04  -0.03  -0.02
     8   6     0.00  -0.00   0.00     0.04  -0.04   0.00    -0.13   0.06  -0.02
     9   6    -0.00  -0.00   0.00    -0.06   0.00  -0.01    -0.00   0.19  -0.07
    10   6    -0.00   0.00  -0.00    -0.03   0.06  -0.02     0.01  -0.04   0.02
    11   6    -0.00   0.00  -0.00    -0.06   0.02  -0.02     0.09  -0.04   0.03
    12   6     0.00  -0.00   0.00     0.01  -0.01   0.01    -0.02   0.04  -0.00
    13   6     0.00   0.00  -0.00     0.03   0.00   0.01    -0.04  -0.02  -0.01
    14   6    -0.00   0.00  -0.00    -0.06   0.04  -0.01     0.08  -0.03   0.01
    15   7    -0.00   0.00  -0.00     0.03  -0.03   0.01     0.08  -0.10   0.04
    16   6     0.00   0.00  -0.00     0.02   0.01  -0.01     0.02  -0.04   0.02
    17   6     0.00  -0.00   0.00    -0.02   0.01   0.00    -0.07   0.04  -0.01
    18   7     0.00  -0.00   0.00    -0.01  -0.02   0.01    -0.03  -0.02   0.02
    19   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01   0.02  -0.01
    20   6    -0.00   0.00  -0.00    -0.02   0.00   0.00    -0.03  -0.00   0.01
    21   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.00
    22   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.02  -0.01
    23   6     0.00   0.00   0.00     0.03  -0.01   0.02    -0.01   0.01   0.00
    24   6     0.00  -0.00  -0.00     0.03   0.01   0.00    -0.03  -0.01   0.01
    25   6    -0.00   0.00   0.00     0.01   0.00  -0.01     0.03   0.00  -0.02
    26   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.01
    27   6     0.00   0.00  -0.00    -0.01  -0.01  -0.00     0.01   0.00   0.00
    28   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    29   6    -0.00   0.00  -0.00    -0.01   0.00   0.00     0.01  -0.00  -0.00
    30   6     0.00   0.00   0.00    -0.00   0.01   0.01     0.00  -0.01  -0.01
    31   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.00   0.00  -0.00
    32   6    -0.00   0.00   0.00    -0.01   0.00  -0.00     0.00  -0.01  -0.00
    33   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    34   6    -0.00   0.00   0.00    -0.01   0.00  -0.00     0.00  -0.00  -0.00
    35   6    -0.00   0.00  -0.00    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    36   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
    37   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.01
    38   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    39   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.00
    40   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    41   7    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    42   7    -0.01   0.04  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    43   7    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    44   6    -0.05  -0.02  -0.02     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    45   6    -0.00  -0.05   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    46   6     0.03  -0.04   0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    47   6     0.05   0.02   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    48   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    49   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    50   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    51   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    52   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    53   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    54   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    55   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    56   6    -0.03  -0.08  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    57   6     0.01   0.05  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    58   6     0.03   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    59   6    -0.06  -0.00  -0.03     0.00   0.00   0.00    -0.00   0.00  -0.00
    60   6     0.05   0.04   0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
    61   6    -0.03  -0.02  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    62   6    -0.03   0.04  -0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
    63   6     0.07  -0.04   0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    64   6     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    65   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    66   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    67   6     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    68   6    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    69   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    70   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    71   6    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    72   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    73   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    74   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    75   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    76   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    77   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    78   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    79   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    80   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    81  15     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    82   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.00  -0.00  -0.01
    83   8     0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    84   6    -0.00   0.00   0.00    -0.00   0.01   0.01    -0.01   0.01   0.01
    85   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    86   6    -0.00   0.00   0.00     0.00  -0.01   0.01    -0.00  -0.01   0.01
    87   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00   0.00  -0.01
    88   1    -0.00  -0.00  -0.00    -0.13   0.01  -0.02    -0.13   0.22  -0.01
    89   1    -0.00   0.00  -0.00    -0.27   0.41  -0.05    -0.11   0.40  -0.07
    90   1     0.00  -0.00  -0.00     0.70  -0.15  -0.03     0.07   0.01   0.01
    91   1    -0.00   0.00   0.00    -0.06   0.02  -0.01     0.26   0.17   0.09
    92   1     0.00  -0.00   0.00     0.29  -0.03   0.10    -0.45   0.04  -0.17
    93   1    -0.00   0.00  -0.00    -0.10  -0.01  -0.06     0.24   0.20   0.22
    94   1    -0.00  -0.00   0.00    -0.01   0.00   0.00     0.06   0.01  -0.03
    95   1     0.00   0.00  -0.00    -0.03  -0.01   0.01    -0.14  -0.13   0.11
    96   1    -0.00  -0.00   0.00     0.06  -0.01  -0.00     0.20   0.00  -0.04
    97   1    -0.01  -0.01  -0.01    -0.01  -0.01  -0.03    -0.01  -0.03   0.01
    98   1     0.03  -0.01   0.01    -0.02  -0.01  -0.00     0.02   0.01   0.00
    99   1    -0.02  -0.03  -0.01    -0.04  -0.03  -0.03     0.02   0.02   0.01
   100   1     0.02   0.00  -0.00    -0.04   0.02  -0.00     0.07  -0.03   0.01
   101   1    -0.00  -0.00   0.00    -0.02  -0.01   0.03    -0.01  -0.00   0.00
   102   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03  -0.01   0.01
   103   1    -0.00   0.00  -0.00    -0.04   0.06   0.01     0.01  -0.01  -0.00
   104   1     0.00  -0.00   0.00    -0.04  -0.02   0.01    -0.01  -0.01   0.01
   105   1    -0.00  -0.00   0.00    -0.01   0.01  -0.00    -0.03   0.02   0.00
   106   1     0.00   0.00  -0.00    -0.02  -0.01   0.01    -0.05  -0.03   0.02
   107   1    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.01  -0.01  -0.00
   108   1     0.00   0.00   0.00    -0.02  -0.02   0.00    -0.04  -0.04  -0.00
   109   1     0.06  -0.23   0.07    -0.01   0.01  -0.00     0.00  -0.01   0.00
   110   1     0.14   0.35  -0.00    -0.01  -0.02  -0.00     0.01   0.01   0.00
   111   1     0.34   0.05   0.15    -0.01  -0.00  -0.00     0.00  -0.00   0.00
   112   1    -0.22   0.24  -0.16     0.01  -0.00   0.00    -0.00   0.00  -0.00
   113   1     0.06   0.35  -0.06     0.00   0.00   0.00    -0.00   0.00  -0.00
   114   1    -0.29  -0.21  -0.09    -0.00  -0.00  -0.00     0.00   0.00  -0.00
   115   1    -0.29   0.17  -0.17    -0.01   0.01  -0.01     0.01  -0.01   0.01
   116   1     0.08  -0.23   0.08     0.00  -0.01   0.00    -0.00   0.01  -0.00
   117   1     0.02   0.02  -0.01     0.01   0.01  -0.00    -0.00  -0.01   0.00
   118   1    -0.04  -0.00   0.01    -0.01  -0.00   0.00     0.01   0.00  -0.00
   119   1    -0.02   0.03  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
   120   1    -0.01  -0.03   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
   121   1    -0.03  -0.01   0.01     0.01   0.00  -0.00     0.00   0.00  -0.00
   122   1     0.03  -0.02  -0.00    -0.01   0.00   0.00     0.00   0.00  -0.00
   123   1     0.00  -0.04   0.01    -0.00   0.02  -0.01     0.00  -0.01   0.00
   124   1     0.01   0.02  -0.01    -0.01  -0.01   0.01     0.01   0.00  -0.00
   125   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.01
   126   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.01
   127   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   128   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
   129   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   130   1    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
   131   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.02   0.00  -0.00
   132   1     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00  -0.01   0.01
   133   1     0.00  -0.00  -0.00     0.00   0.01   0.00    -0.00   0.02   0.02
   134   1    -0.00   0.00   0.00    -0.00   0.01   0.01    -0.00   0.00   0.01
   135   1    -0.00  -0.00  -0.00    -0.01   0.01  -0.01    -0.02   0.01  -0.01
   136   1    -0.00   0.00   0.00     0.00   0.00   0.01     0.01   0.00   0.02
   137   1     0.00  -0.00   0.00     0.01   0.00   0.01     0.01   0.01   0.02
   138   1     0.00  -0.00   0.00    -0.00  -0.02   0.01     0.00  -0.01   0.01
   139   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.01
   140   1     0.00  -0.00  -0.00     0.01  -0.02   0.00     0.01  -0.02  -0.00
   141   1    -0.00   0.00   0.00    -0.00   0.01   0.02    -0.01   0.01   0.02
   142   1    -0.00  -0.00  -0.00     0.00  -0.02  -0.01    -0.00  -0.02  -0.00
   143  17     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
                    250                    251                    252
                      A                      A                      A
 Frequencies --   1179.7271              1179.9292              1180.0057
 Red. masses --      1.1591                 1.1564                 1.1564
 Frc consts  --      0.9504                 0.9485                 0.9487
 IR Inten    --      7.7765                 3.9872                 6.1914
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     8   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    15   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    22   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    25   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    26   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    27   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00    -0.03  -0.01  -0.01
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.01
    31   6     0.00  -0.00   0.00    -0.01   0.00  -0.00     0.00  -0.00   0.00
    32   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   6    -0.00   0.00  -0.00     0.03  -0.02   0.00    -0.01   0.01  -0.00
    34   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    35   6     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    36   6     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    37   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    38   6    -0.03  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    39   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    40   6     0.01  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    41   7    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
    42   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    43   7    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    44   6     0.00   0.00   0.00     0.01   0.01   0.00     0.02   0.03   0.00
    45   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.01   0.02  -0.01
    46   6    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.02   0.00
    47   6     0.00  -0.00   0.00     0.01  -0.00   0.01     0.03  -0.01   0.02
    48   6     0.00  -0.00  -0.00    -0.03   0.00   0.01     0.01  -0.00  -0.00
    49   6     0.00   0.00  -0.00    -0.01  -0.02   0.01     0.00   0.01  -0.00
    50   6    -0.00  -0.00   0.00     0.02   0.01  -0.01    -0.01  -0.00   0.00
    51   6     0.00  -0.00   0.00    -0.01   0.03  -0.01     0.00  -0.01   0.00
    52   6     0.02   0.03  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    53   6    -0.02   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    54   6     0.00  -0.02   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    55   6     0.04  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    56   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    57   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00    -0.02  -0.03  -0.00
    58   6     0.00   0.00   0.00     0.01   0.01   0.00     0.03   0.02   0.01
    59   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    60   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    61   6     0.00   0.00   0.00     0.01   0.00   0.01     0.03   0.01   0.01
    62   6    -0.00   0.00  -0.00    -0.01   0.00  -0.01    -0.03   0.01  -0.02
    63   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.01  -0.01  -0.00
    64   6    -0.00   0.00  -0.00     0.00  -0.02   0.00    -0.00   0.01  -0.00
    65   6    -0.00   0.00   0.00     0.04  -0.00  -0.01    -0.01   0.00   0.00
    66   6     0.00  -0.00  -0.00    -0.03   0.02   0.00     0.01  -0.01  -0.00
    67   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    68   6    -0.00  -0.00   0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
    69   6     0.00  -0.00   0.00    -0.03   0.03  -0.00     0.01  -0.01   0.00
    70   6    -0.00   0.00  -0.00     0.01  -0.04   0.01    -0.00   0.01  -0.00
    71   6    -0.00   0.00   0.00     0.02   0.00  -0.00    -0.01   0.00   0.00
    72   6    -0.02   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    73   6    -0.02  -0.03   0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    74   6     0.04   0.01  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    75   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    76   6     0.00  -0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    77   6     0.04   0.01  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    78   6    -0.04   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    79   6    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    80   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    81  15    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    82   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    83   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    84   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    85   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    86   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    87   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    88   1     0.00  -0.00   0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    89   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.00
    90   1    -0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.00   0.00
    91   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01   0.01   0.01
    92   1    -0.00  -0.00  -0.00     0.01  -0.00   0.00     0.01  -0.00  -0.00
    93   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    94   1    -0.02  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    95   1     0.02   0.03  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    96   1     0.02  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    97   1     0.00  -0.00  -0.00     0.01   0.00   0.00     0.02   0.00   0.01
    98   1     0.00  -0.00  -0.00     0.02   0.00  -0.00     0.06   0.00  -0.01
    99   1     0.00   0.00   0.00     0.01   0.01   0.02     0.03   0.03   0.04
   100   1    -0.00   0.00   0.00     0.01   0.00   0.00     0.02   0.01   0.01
   101   1     0.00  -0.00  -0.00    -0.02   0.01  -0.00     0.01  -0.00  -0.00
   102   1     0.00  -0.00   0.00    -0.05   0.01  -0.03     0.02  -0.00   0.01
   103   1     0.00  -0.00  -0.00    -0.02   0.05   0.02     0.01  -0.02  -0.01
   104   1    -0.00  -0.00  -0.00    -0.01   0.02  -0.00     0.00  -0.01   0.00
   105   1     0.02   0.01  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
   106   1     0.04   0.05   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   107   1     0.05  -0.02  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
   108   1     0.02  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   109   1    -0.00   0.00  -0.00    -0.05   0.07  -0.03    -0.12   0.18  -0.09
   110   1    -0.00  -0.01  -0.00    -0.06  -0.13  -0.00    -0.16  -0.34  -0.01
   111   1     0.01   0.00   0.00     0.13   0.03   0.06     0.35   0.07   0.15
   112   1    -0.00   0.00  -0.00    -0.05   0.08  -0.04    -0.13   0.21  -0.11
   113   1    -0.00  -0.01   0.00    -0.00  -0.10   0.02    -0.00  -0.27   0.06
   114   1     0.01   0.00   0.00     0.12   0.08   0.04     0.32   0.21   0.10
   115   1    -0.01   0.00  -0.00    -0.11   0.06  -0.06    -0.31   0.15  -0.17
   116   1    -0.00  -0.00   0.00    -0.00  -0.09   0.02    -0.00  -0.23   0.04
   117   1     0.00   0.01  -0.00    -0.08  -0.20   0.09     0.03   0.08  -0.03
   118   1    -0.01  -0.00   0.00     0.37   0.01  -0.10    -0.14  -0.00   0.04
   119   1     0.01  -0.01   0.00    -0.24   0.30  -0.04     0.09  -0.11   0.01
   120   1     0.00   0.01  -0.00    -0.10  -0.23   0.11     0.04   0.09  -0.04
   121   1    -0.01  -0.00   0.00     0.22   0.13  -0.11    -0.08  -0.05   0.04
   122   1     0.01  -0.01  -0.00    -0.34   0.20   0.03     0.13  -0.07  -0.01
   123   1    -0.00   0.01  -0.00     0.04  -0.36   0.11    -0.02   0.13  -0.04
   124   1    -0.01  -0.00   0.00     0.19   0.11  -0.09    -0.07  -0.04   0.03
   125   1    -0.18   0.14  -0.11    -0.00   0.00  -0.00     0.00  -0.00   0.00
   126   1    -0.13  -0.29   0.27    -0.00  -0.00   0.00     0.00   0.01  -0.01
   127   1     0.41   0.07  -0.09     0.01   0.00  -0.00    -0.01  -0.00   0.00
   128   1    -0.20   0.16  -0.14    -0.00   0.00  -0.00     0.01  -0.00   0.00
   129   1     0.05  -0.21   0.20     0.00  -0.00   0.00    -0.00   0.01  -0.01
   130   1     0.32   0.18  -0.18     0.01   0.00  -0.00    -0.01  -0.00   0.00
   131   1    -0.38   0.10  -0.07    -0.01   0.00  -0.00     0.01  -0.00   0.00
   132   1     0.04  -0.18   0.16     0.00  -0.00   0.00    -0.00   0.00  -0.00
   133   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
   134   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   135   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   136   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
   137   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
   138   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
   139   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
   140   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   141   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
   142   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
   143  17     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                    253                    254                    255
                      A                      A                      A
 Frequencies --   1183.1697              1183.6591              1187.4329
 Red. masses --      1.5225                 1.5336                 1.1027
 Frc consts  --      1.2557                 1.2660                 0.9160
 IR Inten    --      0.7219                 6.5330                 0.0214
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   6    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   7     0.00  -0.00   0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
    16   6     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.00   0.00  -0.00
    17   6    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    18   7     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    19   6    -0.00  -0.00   0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
    20   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.01  -0.01    -0.00  -0.00   0.00
    23   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    24   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   6     0.00   0.00  -0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
    26   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    27   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    32   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    34   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    35   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    36   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    37   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    38   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    39   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    40   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    41   7     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    42   7    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    43   7     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01   0.02  -0.01
    44   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    45   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    46   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    47   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    48   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    49   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    50   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    51   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    52   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.01   0.01
    53   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.01  -0.01
    54   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01   0.00  -0.00
    55   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02   0.00  -0.01
    56   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    57   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    58   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    59   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    60   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    61   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    62   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    63   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    64   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    65   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    66   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    67   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    68   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    69   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    70   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    71   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    72   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    73   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.03   0.03
    74   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.03   0.01  -0.01
    75   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.00
    76   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    77   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.03  -0.01   0.01
    78   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.04  -0.01   0.01
    79   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.01
    80   8    -0.00  -0.00  -0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
    81  15    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    82   8     0.02   0.02  -0.00     0.03   0.03  -0.01     0.00   0.00   0.00
    83   8    -0.04   0.00  -0.00     0.03  -0.00   0.01     0.00   0.00   0.00
    84   6    -0.07  -0.07   0.03    -0.09  -0.09   0.05    -0.00  -0.00   0.00
    85   6     0.05   0.05  -0.03     0.06   0.06  -0.04     0.00   0.00  -0.00
    86   6     0.13   0.01   0.02    -0.10  -0.01  -0.02    -0.00  -0.00  -0.00
    87   6    -0.09  -0.01  -0.01     0.07   0.01   0.01     0.00   0.00   0.00
    88   1    -0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    89   1     0.01  -0.01   0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    90   1    -0.02   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    91   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    92   1     0.01  -0.00   0.00     0.01   0.00   0.00    -0.00   0.00  -0.00
    93   1    -0.01  -0.01  -0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    94   1    -0.01   0.00   0.01     0.06  -0.00  -0.02    -0.00  -0.00   0.00
    95   1     0.01   0.01  -0.01    -0.05  -0.06   0.04     0.00   0.00  -0.00
    96   1     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    97   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    98   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    99   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   100   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
   101   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   102   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
   103   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   104   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   105   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
   106   1    -0.00  -0.00   0.00     0.01   0.00  -0.00    -0.01  -0.02   0.01
   107   1    -0.00  -0.00   0.00     0.01  -0.00  -0.00     0.02  -0.01  -0.00
   108   1    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
   109   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   110   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   111   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   112   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   113   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
   114   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   115   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   116   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
   117   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   118   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
   119   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   120   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   121   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   122   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   123   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
   124   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   125   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.18   0.14  -0.12
   126   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.13  -0.32   0.30
   127   1    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.40   0.07  -0.08
   128   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.14   0.10  -0.09
   129   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03   0.15  -0.14
   130   1    -0.00  -0.00   0.00     0.01   0.00  -0.00    -0.33  -0.19   0.19
   131   1     0.00  -0.00   0.00    -0.01   0.00  -0.00     0.44  -0.13   0.09
   132   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.05   0.19  -0.17
   133   1     0.19  -0.14  -0.21     0.25  -0.19  -0.28     0.00  -0.00  -0.00
   134   1    -0.10   0.27   0.13    -0.14   0.35   0.17    -0.00   0.00   0.00
   135   1    -0.09  -0.10   0.05    -0.13  -0.13   0.06    -0.00  -0.00   0.00
   136   1    -0.22   0.05  -0.07    -0.29   0.06  -0.09    -0.00   0.00  -0.00
   137   1     0.16  -0.14   0.15     0.21  -0.18   0.19     0.00  -0.00   0.00
   138   1    -0.15  -0.30   0.28     0.12   0.23  -0.22     0.00   0.00  -0.00
   139   1    -0.07   0.26  -0.34     0.05  -0.20   0.25     0.00  -0.00   0.00
   140   1     0.00   0.16   0.28    -0.01  -0.11  -0.20    -0.00  -0.00  -0.00
   141   1     0.18   0.01   0.03    -0.14  -0.01  -0.03    -0.00  -0.00  -0.00
   142   1     0.15  -0.11  -0.23    -0.11   0.09   0.18    -0.00   0.00   0.00
   143  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
                    256                    257                    258
                      A                      A                      A
 Frequencies --   1187.5208              1187.5926              1189.4798
 Red. masses --      1.1029                 1.1029                 1.8813
 Frc consts  --      0.9163                 0.9165                 1.5682
 IR Inten    --      0.0112                 0.0203                35.4590
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01   0.01  -0.00
     4   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.02  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01   0.00  -0.00
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.01  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.03  -0.04  -0.02
     9   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.01   0.02
    10   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02  -0.03   0.02
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.01   0.00
    13   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.02   0.02   0.01
    14   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.03   0.00  -0.01
    15   7    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.06   0.06  -0.05
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.04  -0.11   0.06
    17   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.07   0.03
    18   7     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.03   0.07  -0.03
    19   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.05   0.08  -0.04
    20   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.04   0.02
    21   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.02  -0.03   0.01
    22   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.09  -0.04
    23   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    24   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    25   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.05  -0.03   0.01
    26   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    27   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    29   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    31   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    32   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   6    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
    34   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    36   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00   0.01
    37   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.02   0.00  -0.01
    38   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    39   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.02  -0.00
    40   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.01
    41   7    -0.02  -0.02   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    42   7     0.00  -0.00   0.00     0.01  -0.02   0.01    -0.00  -0.00  -0.00
    43   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    44   6     0.00   0.00   0.00     0.02   0.01   0.01    -0.00  -0.00  -0.00
    45   6    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00   0.00  -0.00
    46   6     0.00  -0.00   0.00     0.01  -0.01   0.00    -0.00  -0.00  -0.00
    47   6    -0.00  -0.00  -0.00    -0.02  -0.00  -0.01    -0.00   0.00  -0.00
    48   6     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    49   6    -0.01  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    50   6    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    51   6    -0.01   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    52   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    53   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    54   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    55   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    56   6     0.00  -0.00   0.00     0.01  -0.01   0.01     0.00  -0.00   0.00
    57   6     0.00   0.00  -0.00     0.02   0.04  -0.00    -0.00   0.00  -0.00
    58   6    -0.00  -0.00  -0.00    -0.03  -0.01  -0.01     0.00  -0.00   0.00
    59   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
    60   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    61   6     0.00   0.00   0.00     0.03   0.02   0.01    -0.00   0.00  -0.00
    62   6    -0.00   0.00  -0.00    -0.03   0.02  -0.02     0.00  -0.00   0.00
    63   6    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    64   6    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    65   6     0.04   0.00  -0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    66   6    -0.03   0.03  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    67   6     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    68   6    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    69   6     0.03  -0.02   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    70   6    -0.00   0.04  -0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    71   6    -0.01  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    72   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    73   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    74   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.00
    75   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    76   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    77   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    78   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    79   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    80   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.01
    81  15     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01   0.00   0.00
    82   8     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    83   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    84   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.01  -0.01
    85   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    86   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
    87   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.00  -0.00
    88   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01  -0.01
    89   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.02  -0.01
    90   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.05   0.02   0.00
    91   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.01   0.03   0.01
    92   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.22  -0.01   0.08
    93   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.05  -0.03  -0.05
    94   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.49   0.00  -0.16
    95   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.42  -0.48   0.34
    96   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.08   0.11  -0.03
    97   1     0.00   0.00   0.00     0.00   0.00   0.00     0.02   0.03   0.02
    98   1    -0.00   0.00  -0.00    -0.02   0.01  -0.00    -0.02   0.00   0.00
    99   1     0.00   0.00   0.00     0.01   0.02   0.01    -0.02  -0.02  -0.02
   100   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.03   0.00  -0.00
   101   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.02   0.00
   102   1     0.02  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00   0.00
   103   1    -0.00   0.02   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   104   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.00
   105   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.04   0.01  -0.01
   106   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.06   0.04  -0.01
   107   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.10  -0.00  -0.05
   108   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.04  -0.01
   109   1     0.02  -0.02   0.01     0.13  -0.20   0.10     0.00  -0.00   0.00
   110   1     0.02   0.05   0.00     0.19   0.42   0.01    -0.00  -0.00  -0.00
   111   1    -0.04  -0.01  -0.02    -0.38  -0.07  -0.16     0.00   0.00   0.00
   112   1     0.01  -0.02   0.01     0.10  -0.15   0.08    -0.00   0.00  -0.00
   113   1    -0.00  -0.02   0.00    -0.01  -0.19   0.04     0.00  -0.00   0.00
   114   1     0.04   0.03   0.01     0.33   0.23   0.11    -0.00   0.00  -0.00
   115   1    -0.04   0.02  -0.02    -0.36   0.19  -0.20     0.00  -0.00   0.00
   116   1     0.00  -0.03   0.01     0.00  -0.25   0.05     0.00   0.00  -0.00
   117   1    -0.09  -0.22   0.10     0.01   0.03  -0.01    -0.00  -0.00   0.00
   118   1     0.44   0.02  -0.12    -0.05  -0.00   0.01     0.00   0.00  -0.00
   119   1    -0.26   0.33  -0.04     0.03  -0.04   0.00    -0.00   0.00  -0.00
   120   1    -0.07  -0.17   0.08     0.01   0.02  -0.01    -0.00  -0.00   0.00
   121   1    -0.16  -0.09   0.08     0.02   0.01  -0.01     0.00   0.00   0.00
   122   1     0.36  -0.20  -0.03    -0.04   0.02   0.00     0.00  -0.00   0.00
   123   1    -0.04   0.43  -0.13     0.01  -0.05   0.02    -0.00   0.00  -0.00
   124   1    -0.21  -0.12   0.10     0.02   0.01  -0.01    -0.00  -0.00   0.00
   125   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   126   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.02   0.02
   127   1    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.05   0.01  -0.01
   128   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.02   0.02  -0.01
   129   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.02   0.02
   130   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.02
   131   1    -0.01   0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.00  -0.00
   132   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
   133   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.02   0.03
   134   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.05  -0.03
   135   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.01  -0.00
   136   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.03  -0.01   0.01
   137   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.03   0.02  -0.03
   138   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.02  -0.04   0.04
   139   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.03  -0.05
   140   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.02   0.04
   141   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.03  -0.00  -0.00
   142   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.01  -0.03
   143  17     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
                    259                    260                    261
                      A                      A                      A
 Frequencies --   1198.5020              1199.1916              1199.3064
 Red. masses --      1.4947                 1.4739                 1.4900
 Frc consts  --      1.2650                 1.2488                 1.2627
 IR Inten    --     43.1921                34.5439                 9.3596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.01   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6     0.01   0.01  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.03  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.01  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.02   0.02  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.01  -0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     8   6     0.00  -0.01   0.00     0.01   0.00   0.00     0.00   0.00   0.00
     9   6    -0.03   0.04  -0.02    -0.00  -0.01   0.00    -0.01  -0.00  -0.00
    10   6     0.01   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00   0.00    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    13   6     0.02   0.01   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   6    -0.03  -0.00  -0.01     0.01   0.00   0.00     0.00   0.00   0.00
    15   7     0.02  -0.03   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    16   6     0.01   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    17   6    -0.02   0.02  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   7     0.00  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6    -0.01  -0.00   0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    22   6    -0.01  -0.01   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    23   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   6     0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   6     0.02   0.01  -0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    26   6     0.00   0.00   0.00     0.01  -0.02  -0.02     0.01  -0.02  -0.02
    27   6    -0.01  -0.00  -0.00     0.01  -0.01  -0.00     0.02  -0.01  -0.00
    28   6     0.01   0.00   0.00    -0.06  -0.03  -0.02    -0.07  -0.03  -0.03
    29   6    -0.01  -0.00  -0.00     0.00   0.01   0.01     0.00   0.01   0.01
    30   6     0.01  -0.00  -0.00    -0.02   0.02   0.02    -0.02   0.02   0.02
    31   6     0.02   0.03   0.02    -0.01  -0.01  -0.01     0.01   0.01   0.01
    32   6     0.02   0.01   0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
    33   6    -0.06   0.05  -0.00     0.02  -0.02   0.00    -0.03   0.03  -0.00
    34   6    -0.00  -0.02  -0.01     0.00   0.01   0.00    -0.00  -0.01  -0.00
    35   6    -0.02  -0.02  -0.02     0.01   0.01   0.01    -0.01  -0.01  -0.01
    36   6    -0.00   0.02   0.01    -0.01   0.03   0.01     0.01  -0.02  -0.01
    37   6    -0.00   0.01   0.00     0.01   0.02   0.00    -0.00  -0.01  -0.00
    38   6    -0.04  -0.01   0.02    -0.07  -0.02   0.03     0.06   0.02  -0.02
    39   6     0.00  -0.01  -0.00     0.01  -0.01  -0.01    -0.01   0.01   0.00
    40   6     0.00  -0.02  -0.01     0.00  -0.03  -0.01    -0.00   0.03   0.01
    41   7     0.01  -0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    42   7    -0.00  -0.00  -0.00     0.01   0.00   0.00     0.01   0.00   0.00
    43   7     0.01   0.00  -0.00     0.01   0.00  -0.00    -0.01  -0.00   0.00
    44   6    -0.00  -0.00  -0.00     0.03   0.03   0.01     0.03   0.04   0.01
    45   6    -0.00   0.00  -0.00     0.02  -0.00   0.01     0.03  -0.00   0.01
    46   6    -0.00  -0.00  -0.00     0.02   0.02   0.00     0.02   0.02   0.00
    47   6    -0.00   0.00  -0.00     0.04  -0.00   0.02     0.05  -0.01   0.02
    48   6     0.05  -0.01  -0.01    -0.02   0.00   0.00     0.03  -0.01  -0.00
    49   6     0.01  -0.03   0.01    -0.00   0.01  -0.00     0.01  -0.01   0.00
    50   6     0.03  -0.01  -0.00    -0.01   0.00   0.00     0.01  -0.00  -0.00
    51   6     0.02  -0.05   0.01    -0.01   0.02  -0.00     0.01  -0.02   0.00
    52   6     0.02   0.02  -0.02     0.03   0.03  -0.03    -0.02  -0.02   0.02
    53   6     0.02  -0.00  -0.00     0.03  -0.00  -0.00    -0.02   0.00   0.00
    54   6     0.01   0.01  -0.01     0.02   0.02  -0.02    -0.01  -0.01   0.01
    55   6     0.03  -0.00  -0.00     0.05  -0.00  -0.00    -0.04   0.00   0.00
    56   6     0.00  -0.00   0.00    -0.02   0.01  -0.01    -0.03   0.01  -0.01
    57   6    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.01  -0.01   0.01
    58   6     0.00  -0.00   0.00    -0.02   0.01  -0.01    -0.02   0.02  -0.01
    59   6    -0.00   0.00  -0.00     0.01  -0.02   0.01     0.01  -0.02   0.01
    60   6     0.00  -0.00   0.00    -0.00   0.02  -0.01    -0.01   0.03  -0.01
    61   6     0.00   0.00  -0.00    -0.01  -0.03   0.00    -0.01  -0.03   0.00
    62   6     0.00  -0.00   0.00    -0.00   0.01  -0.00    -0.00   0.02  -0.00
    63   6     0.00   0.00   0.00    -0.01  -0.02  -0.00    -0.01  -0.03  -0.00
    64   6    -0.00   0.03  -0.01     0.00  -0.01   0.00    -0.00   0.02  -0.00
    65   6    -0.01  -0.01   0.01     0.00   0.00  -0.00    -0.00  -0.01   0.00
    66   6    -0.00   0.03  -0.01     0.00  -0.01   0.00    -0.00   0.02  -0.01
    67   6    -0.01  -0.02   0.01     0.01   0.01  -0.00    -0.01  -0.01   0.01
    68   6     0.02   0.02  -0.01    -0.01  -0.01   0.00     0.01   0.01  -0.01
    69   6    -0.03  -0.00   0.01     0.01   0.00  -0.00    -0.02  -0.00   0.00
    70   6     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.01   0.00  -0.00
    71   6    -0.03  -0.00   0.01     0.01  -0.00  -0.00    -0.02   0.00   0.00
    72   6    -0.02   0.00  -0.00    -0.03   0.01  -0.00     0.02  -0.01   0.00
    73   6     0.01  -0.00   0.00     0.01  -0.01   0.01    -0.01   0.01  -0.01
    74   6    -0.02   0.01  -0.00    -0.03   0.01  -0.01     0.02  -0.01   0.01
    75   6     0.01  -0.01   0.01     0.01  -0.02   0.01    -0.01   0.01  -0.01
    76   6    -0.01   0.01  -0.01    -0.01   0.02  -0.02     0.01  -0.01   0.01
    77   6    -0.00  -0.01   0.01    -0.01  -0.02   0.02     0.00   0.02  -0.02
    78   6    -0.00   0.01  -0.01    -0.00   0.01  -0.01     0.00  -0.01   0.01
    79   6    -0.01  -0.01   0.01    -0.01  -0.02   0.02     0.01   0.02  -0.02
    80   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    81  15     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    82   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    83   8     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    84   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    85   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    86   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    87   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    88   1    -0.02   0.04   0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.00
    89   1     0.07  -0.18   0.02    -0.00   0.00  -0.00     0.00  -0.01   0.00
    90   1    -0.19   0.06   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    91   1     0.01   0.03   0.01     0.00   0.01  -0.00     0.01   0.02   0.00
    92   1     0.19  -0.02   0.07    -0.02  -0.00  -0.00    -0.01  -0.00   0.00
    93   1    -0.08  -0.08  -0.06     0.01   0.01   0.01     0.01   0.02   0.01
    94   1    -0.02   0.00   0.01     0.03  -0.00  -0.01     0.00   0.00  -0.00
    95   1    -0.01   0.01  -0.00    -0.01  -0.01   0.00    -0.01  -0.02   0.01
    96   1     0.08  -0.01  -0.01     0.00   0.00   0.00    -0.02   0.01   0.00
    97   1     0.02   0.04   0.02    -0.07  -0.13  -0.11    -0.08  -0.14  -0.12
    98   1    -0.07  -0.00   0.00     0.31  -0.01  -0.01     0.35  -0.01  -0.01
    99   1    -0.04  -0.05  -0.05     0.15   0.20   0.18     0.17   0.22   0.20
   100   1     0.04   0.00  -0.00    -0.18   0.02   0.01    -0.19   0.03   0.02
   101   1    -0.07   0.24   0.07     0.02  -0.06  -0.02    -0.03   0.09   0.03
   102   1     0.35  -0.08   0.12    -0.11   0.03  -0.04     0.17  -0.04   0.06
   103   1     0.14  -0.34  -0.11    -0.04   0.11   0.03     0.06  -0.16  -0.05
   104   1    -0.24   0.03  -0.08     0.07  -0.01   0.02    -0.09   0.01  -0.03
   105   1    -0.10   0.04   0.05    -0.16   0.06   0.08     0.12  -0.05  -0.06
   106   1     0.10   0.13  -0.02     0.22   0.25  -0.04    -0.17  -0.19   0.03
   107   1     0.15  -0.05  -0.08     0.29  -0.07  -0.15    -0.22   0.06   0.12
   108   1    -0.07  -0.10   0.01    -0.10  -0.15   0.02     0.08   0.12  -0.01
   109   1     0.01  -0.01   0.01    -0.10   0.13  -0.07    -0.11   0.14  -0.08
   110   1     0.00   0.00  -0.00    -0.01  -0.05   0.00    -0.01  -0.05   0.00
   111   1     0.02   0.00   0.01    -0.15  -0.01  -0.07    -0.17  -0.01  -0.08
   112   1    -0.01   0.01  -0.01     0.07  -0.12   0.05     0.08  -0.13   0.06
   113   1     0.00  -0.01   0.00    -0.00   0.14  -0.03    -0.00   0.16  -0.03
   114   1     0.01   0.01   0.00    -0.12  -0.10  -0.03    -0.14  -0.12  -0.04
   115   1     0.01  -0.00   0.00    -0.03   0.03  -0.02    -0.04   0.03  -0.02
   116   1     0.00   0.02  -0.00    -0.01  -0.17   0.03    -0.01  -0.19   0.03
   117   1     0.06   0.17  -0.07    -0.02  -0.06   0.02     0.03   0.09  -0.04
   118   1    -0.05  -0.02   0.02     0.02   0.01  -0.01    -0.03  -0.01   0.01
   119   1    -0.10   0.16  -0.03     0.03  -0.05   0.01    -0.05   0.08  -0.01
   120   1    -0.06  -0.14   0.07     0.02   0.05  -0.02    -0.03  -0.07   0.03
   121   1     0.13   0.08  -0.06    -0.04  -0.03   0.02     0.07   0.04  -0.03
   122   1    -0.18   0.07   0.02     0.06  -0.02  -0.01    -0.09   0.04   0.01
   123   1     0.01   0.05  -0.02    -0.00  -0.02   0.01     0.00   0.03  -0.01
   124   1    -0.16  -0.08   0.07     0.05   0.03  -0.02    -0.08  -0.04   0.04
   125   1    -0.08   0.06  -0.05    -0.14   0.10  -0.08     0.11  -0.08   0.06
   126   1    -0.00  -0.02   0.02    -0.00  -0.04   0.04     0.00   0.03  -0.03
   127   1    -0.11  -0.01   0.01    -0.17  -0.01   0.02     0.14   0.01  -0.02
   128   1     0.06  -0.05   0.05     0.10  -0.09   0.07    -0.09   0.07  -0.06
   129   1    -0.02   0.07  -0.06    -0.03   0.11  -0.10     0.03  -0.09   0.08
   130   1    -0.08  -0.06   0.06    -0.12  -0.09   0.09     0.10   0.07  -0.07
   131   1    -0.02   0.01  -0.01    -0.04   0.02  -0.02     0.03  -0.02   0.01
   132   1     0.01  -0.08   0.07     0.02  -0.14   0.12    -0.02   0.11  -0.10
   133   1     0.00   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
   134   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
   135   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
   136   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
   137   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   138   1     0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   139   1     0.00  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   140   1     0.00  -0.01  -0.01    -0.00   0.00   0.00     0.00   0.00   0.00
   141   1    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
   142   1    -0.00  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   143  17     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
                    262                    263                    264
                      A                      A                      A
 Frequencies --   1202.1461              1215.9860              1216.5801
 Red. masses --      1.7565                 1.4444                 1.4168
 Frc consts  --      1.4956                 1.2583                 1.2355
 IR Inten    --      2.0310                 1.5237                 2.9027
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6     0.02  -0.03   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6    -0.02  -0.03   0.00    -0.01  -0.01   0.00    -0.01  -0.00   0.00
     4   6    -0.06   0.04  -0.01    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     5   6    -0.02   0.04  -0.00     0.00   0.01  -0.00     0.00   0.00  -0.00
     6   6     0.04  -0.04   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.02   0.02  -0.01    -0.01   0.01  -0.00    -0.00   0.00  -0.00
     8   6     0.00   0.03  -0.00    -0.02  -0.01  -0.01    -0.00   0.01   0.00
     9   6     0.06  -0.09   0.04     0.02  -0.00   0.01     0.01   0.01  -0.00
    10   6    -0.01  -0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.02  -0.02   0.00     0.01  -0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   6    -0.04  -0.02  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
    14   6     0.06   0.01   0.02    -0.00  -0.01  -0.00     0.00  -0.01  -0.00
    15   7    -0.04   0.06  -0.02     0.01   0.01  -0.01    -0.01  -0.01   0.01
    16   6    -0.02  -0.00   0.00    -0.02  -0.01   0.01     0.01   0.01  -0.01
    17   6     0.05  -0.04   0.01    -0.00  -0.01   0.00     0.00   0.01  -0.00
    18   7    -0.01   0.03  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   6    -0.00   0.01  -0.00    -0.01   0.00   0.00     0.00  -0.01   0.00
    20   6     0.01  -0.00  -0.00     0.01  -0.00  -0.00     0.00   0.01  -0.00
    21   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.01   0.01  -0.01     0.00   0.01  -0.00    -0.00  -0.01   0.00
    23   6    -0.02   0.02   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    24   6    -0.02  -0.00  -0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    25   6    -0.03  -0.01   0.01    -0.01  -0.00   0.00     0.01   0.00  -0.00
    26   6    -0.01  -0.00  -0.00     0.03   0.02   0.02     0.03   0.02   0.02
    27   6     0.01   0.00   0.00    -0.03  -0.00  -0.00    -0.03  -0.00  -0.00
    28   6     0.02   0.01   0.01    -0.05  -0.02  -0.02    -0.04  -0.02  -0.02
    29   6     0.01   0.00   0.00    -0.02  -0.02  -0.02    -0.02  -0.02  -0.02
    30   6    -0.01  -0.01  -0.01     0.04   0.01   0.01     0.04   0.01   0.01
    31   6     0.01   0.01   0.01     0.01  -0.01  -0.00     0.01  -0.02  -0.00
    32   6     0.00  -0.00  -0.00    -0.01   0.00  -0.00    -0.02   0.01  -0.00
    33   6    -0.05   0.04  -0.00    -0.02   0.01  -0.00    -0.02   0.02  -0.00
    34   6     0.00  -0.00   0.00    -0.01   0.01   0.00    -0.01   0.01   0.00
    35   6    -0.01  -0.02  -0.01     0.01  -0.01   0.00     0.02  -0.01   0.00
    36   6    -0.01   0.01   0.01     0.04   0.01  -0.02    -0.04  -0.01   0.02
    37   6     0.01   0.00  -0.01    -0.03  -0.02   0.01     0.03   0.02  -0.01
    38   6    -0.02  -0.01   0.01    -0.05  -0.02   0.02     0.05   0.02  -0.02
    39   6     0.01   0.01  -0.00    -0.03   0.00   0.01     0.03  -0.00  -0.01
    40   6    -0.00  -0.01  -0.00     0.04   0.02  -0.01    -0.04  -0.02   0.01
    41   7     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    42   7    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    43   7     0.00   0.00  -0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    44   6    -0.01  -0.01  -0.00     0.02   0.03   0.01     0.02   0.02   0.01
    45   6    -0.01   0.00  -0.00     0.03  -0.00   0.01     0.03  -0.00   0.01
    46   6    -0.00  -0.01  -0.00     0.02   0.02   0.01     0.02   0.02   0.00
    47   6    -0.01   0.00  -0.01     0.03  -0.00   0.01     0.03  -0.00   0.01
    48   6     0.04  -0.01  -0.01     0.01  -0.00  -0.00     0.02  -0.01  -0.00
    49   6     0.01  -0.02   0.00     0.00  -0.01   0.00     0.01  -0.02   0.00
    50   6     0.02  -0.01  -0.00     0.01  -0.00  -0.00     0.02  -0.00  -0.00
    51   6     0.02  -0.04   0.01     0.01  -0.01   0.00     0.01  -0.02   0.00
    52   6     0.01   0.01  -0.01     0.02   0.02  -0.02    -0.02  -0.02   0.02
    53   6     0.01  -0.00  -0.00     0.03  -0.00  -0.00    -0.03   0.00   0.00
    54   6     0.00   0.00  -0.00     0.02   0.02  -0.02    -0.02  -0.02   0.02
    55   6     0.01  -0.00  -0.00     0.04   0.00  -0.00    -0.04  -0.00   0.00
    56   6     0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.02   0.01  -0.01
    57   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    58   6     0.01  -0.00   0.00    -0.01   0.01  -0.01    -0.01   0.01  -0.01
    59   6    -0.00   0.01  -0.00     0.00  -0.02   0.00     0.00  -0.02   0.00
    60   6     0.00  -0.01   0.00    -0.01   0.02  -0.01    -0.01   0.02  -0.01
    61   6     0.00   0.01  -0.00    -0.00  -0.02   0.00    -0.00  -0.02   0.00
    62   6    -0.00  -0.00   0.00    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    63   6     0.00   0.01   0.00    -0.01  -0.02  -0.00    -0.01  -0.02  -0.00
    64   6    -0.00   0.02  -0.01    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    65   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    66   6     0.00   0.02  -0.01     0.00   0.01  -0.00     0.00   0.01  -0.00
    67   6    -0.01  -0.02   0.01    -0.01  -0.00   0.00    -0.01  -0.01   0.00
    68   6     0.01   0.01  -0.01     0.00   0.01  -0.00     0.00   0.01  -0.00
    69   6    -0.02  -0.00   0.01    -0.01  -0.00   0.00    -0.01  -0.00   0.00
    70   6     0.01   0.01  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    71   6    -0.02   0.00   0.01    -0.01   0.00   0.00    -0.01   0.00   0.00
    72   6    -0.01   0.00  -0.00    -0.03   0.00  -0.00     0.03  -0.00   0.00
    73   6     0.00  -0.00   0.00     0.01  -0.01   0.01    -0.01   0.01  -0.01
    74   6    -0.01   0.00  -0.00    -0.02   0.01  -0.01     0.02  -0.01   0.01
    75   6     0.00  -0.00   0.00     0.01  -0.01   0.01    -0.01   0.01  -0.01
    76   6    -0.00   0.00  -0.00    -0.01   0.01  -0.01     0.01  -0.01   0.01
    77   6    -0.00  -0.00   0.00    -0.00  -0.01   0.01     0.00   0.01  -0.01
    78   6    -0.00   0.00  -0.00    -0.01   0.01  -0.01     0.01  -0.01   0.01
    79   6    -0.00  -0.01   0.01    -0.01  -0.02   0.02     0.01   0.02  -0.02
    80   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    81  15    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    82   8     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    83   8    -0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    84   6     0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    85   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    86   6     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    87   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    88   1     0.06  -0.14   0.01     0.01  -0.01  -0.00     0.01  -0.01  -0.00
    89   1    -0.13   0.35  -0.04    -0.01   0.05  -0.01    -0.00   0.02  -0.00
    90   1     0.43  -0.12  -0.02     0.04  -0.01   0.00     0.01  -0.00   0.01
    91   1    -0.03  -0.08  -0.01     0.02   0.01   0.02     0.00   0.00   0.01
    92   1    -0.43   0.04  -0.15     0.04   0.00   0.00    -0.00   0.00  -0.01
    93   1     0.19   0.19   0.14    -0.00  -0.01  -0.01    -0.01  -0.02  -0.00
    94   1     0.04  -0.00  -0.01    -0.01   0.00   0.00    -0.02  -0.00   0.01
    95   1     0.02   0.01  -0.01     0.03   0.03  -0.01     0.01   0.02  -0.02
    96   1    -0.15   0.02   0.02     0.04  -0.00  -0.02    -0.02  -0.00   0.02
    97   1    -0.02  -0.03  -0.00     0.19   0.21   0.18     0.18   0.19   0.18
    98   1     0.01   0.01   0.00    -0.21  -0.00  -0.00    -0.22  -0.00  -0.00
    99   1     0.03   0.02   0.02    -0.12  -0.13  -0.12    -0.12  -0.13  -0.12
   100   1    -0.02  -0.01  -0.00     0.34   0.01   0.01     0.32   0.01   0.01
   101   1     0.01   0.00   0.02     0.05  -0.11  -0.03     0.08  -0.15  -0.04
   102   1     0.17  -0.05   0.05    -0.07   0.02  -0.02    -0.11   0.03  -0.03
   103   1     0.06  -0.14  -0.04    -0.03   0.07   0.02    -0.05   0.10   0.03
   104   1    -0.00  -0.02  -0.01     0.12  -0.04   0.03     0.17  -0.05   0.05
   105   1    -0.03   0.01   0.02     0.32  -0.05  -0.16    -0.31   0.05   0.16
   106   1     0.10   0.10  -0.02    -0.17  -0.17   0.04     0.17   0.17  -0.04
   107   1     0.11  -0.01  -0.05    -0.21   0.04   0.11     0.21  -0.04  -0.11
   108   1    -0.00  -0.01   0.00     0.25   0.25  -0.06    -0.25  -0.25   0.06
   109   1     0.03  -0.03   0.02    -0.09   0.11  -0.06    -0.08   0.10  -0.05
   110   1     0.00   0.01  -0.00    -0.01  -0.04   0.00    -0.01  -0.04   0.00
   111   1     0.04   0.00   0.02    -0.09  -0.00  -0.04    -0.08  -0.00  -0.04
   112   1    -0.02   0.03  -0.02     0.05  -0.09   0.04     0.05  -0.09   0.04
   113   1     0.00  -0.04   0.01    -0.01   0.11  -0.03    -0.01   0.10  -0.03
   114   1     0.04   0.03   0.01    -0.07  -0.07  -0.02    -0.07  -0.06  -0.02
   115   1     0.01  -0.01   0.00    -0.03   0.03  -0.02    -0.03   0.02  -0.02
   116   1     0.00   0.05  -0.01    -0.01  -0.15   0.02    -0.01  -0.14   0.02
   117   1     0.04   0.13  -0.06     0.02   0.05  -0.02     0.02   0.07  -0.03
   118   1    -0.04  -0.01   0.01    -0.02  -0.00   0.01    -0.02  -0.01   0.01
   119   1    -0.07   0.11  -0.02    -0.02   0.03  -0.01    -0.02   0.04  -0.01
   120   1    -0.05  -0.10   0.05    -0.02  -0.04   0.02    -0.02  -0.05   0.02
   121   1     0.10   0.06  -0.05     0.03   0.02  -0.02     0.04   0.03  -0.02
   122   1    -0.12   0.05   0.02    -0.03   0.01   0.00    -0.05   0.02   0.01
   123   1     0.01   0.04  -0.01     0.00   0.02  -0.01     0.00   0.02  -0.01
   124   1    -0.13  -0.06   0.05    -0.05  -0.02   0.02    -0.06  -0.03   0.03
   125   1    -0.04   0.03  -0.02    -0.12   0.08  -0.07     0.12  -0.08   0.06
   126   1    -0.00  -0.01   0.01    -0.00  -0.04   0.03     0.00   0.04  -0.03
   127   1    -0.04  -0.00   0.00    -0.10  -0.00   0.01     0.10   0.00  -0.01
   128   1     0.02  -0.02   0.02     0.08  -0.07   0.06    -0.07   0.07  -0.06
   129   1    -0.01   0.03  -0.02    -0.03   0.09  -0.08     0.03  -0.08   0.08
   130   1    -0.02  -0.02   0.02    -0.07  -0.06   0.05     0.07   0.05  -0.05
   131   1    -0.02   0.01  -0.01    -0.04   0.02  -0.02     0.04  -0.02   0.01
   132   1     0.01  -0.04   0.03     0.01  -0.12   0.11    -0.01   0.11  -0.10
   133   1    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.00   0.00
   134   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
   135   1     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
   136   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
   137   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
   138   1    -0.01   0.00   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
   139   1    -0.00   0.02  -0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
   140   1    -0.00   0.02   0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
   141   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   142   1     0.01   0.00  -0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
   143  17    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
                    265                    266                    267
                      A                      A                      A
 Frequencies --   1216.8715              1237.6067              1250.3261
 Red. masses --      1.4249                 2.2105                 2.0446
 Frc consts  --      1.2431                 1.9948                 1.8832
 IR Inten    --      1.4563                11.9023                10.2866
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
     2   6    -0.00   0.01  -0.00     0.03  -0.02   0.00    -0.03   0.02  -0.00
     3   6    -0.00   0.01  -0.00    -0.04  -0.05   0.00     0.04   0.04  -0.00
     4   6     0.01  -0.01   0.00    -0.05  -0.02   0.00     0.04   0.05  -0.00
     5   6     0.01  -0.01   0.00     0.01   0.04  -0.00    -0.02  -0.03   0.00
     6   6    -0.01   0.01  -0.00     0.02  -0.01   0.00    -0.02  -0.00   0.00
     7   6     0.00  -0.01   0.00    -0.02   0.07  -0.01    -0.01  -0.07   0.00
     8   6     0.00  -0.00   0.00    -0.12  -0.04  -0.04    -0.01  -0.06  -0.02
     9   6    -0.02   0.02  -0.01     0.10   0.02   0.03     0.02  -0.09   0.05
    10   6     0.01  -0.00   0.00     0.00  -0.02   0.01     0.01   0.06  -0.03
    11   6    -0.00   0.01   0.00     0.05   0.02   0.02    -0.01  -0.01  -0.01
    12   6    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.00  -0.01  -0.00
    13   6     0.01   0.00   0.00     0.05   0.05   0.02    -0.02   0.00  -0.01
    14   6    -0.01  -0.00  -0.00    -0.05  -0.05  -0.02     0.02   0.06   0.01
    15   7     0.01  -0.01   0.00     0.06   0.03  -0.03     0.06   0.05  -0.04
    16   6     0.00  -0.00   0.00    -0.13  -0.04   0.05    -0.12  -0.03   0.04
    17   6    -0.01   0.01  -0.00    -0.03  -0.02   0.01    -0.09  -0.00   0.02
    18   7     0.00  -0.00   0.00     0.01  -0.00   0.00     0.04  -0.03   0.01
    19   6     0.00   0.00  -0.00    -0.06  -0.01   0.02    -0.00  -0.01   0.01
    20   6    -0.00  -0.00   0.00     0.07  -0.01  -0.01     0.03  -0.02   0.00
    21   6    -0.00   0.00   0.00    -0.01   0.01  -0.00    -0.04   0.02  -0.00
    22   6    -0.00   0.00   0.00     0.03   0.02  -0.02     0.00   0.03  -0.02
    23   6    -0.00  -0.00  -0.00    -0.03   0.03  -0.00     0.03  -0.02   0.01
    24   6     0.01   0.00   0.00    -0.04  -0.02  -0.02     0.02   0.01   0.00
    25   6     0.01   0.00  -0.00     0.01   0.01   0.00     0.05   0.03  -0.01
    26   6    -0.02  -0.01  -0.01    -0.02  -0.01  -0.01     0.01   0.01   0.01
    27   6     0.02   0.00   0.00     0.01   0.01   0.01    -0.00  -0.01  -0.01
    28   6     0.03   0.01   0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
    29   6     0.01   0.01   0.01     0.02   0.00   0.00    -0.01   0.00   0.00
    30   6    -0.02  -0.01  -0.01    -0.01  -0.00  -0.00     0.00   0.00   0.00
    31   6     0.04  -0.04  -0.00    -0.01   0.01   0.00     0.00  -0.01  -0.00
    32   6    -0.04   0.02  -0.01     0.01  -0.01  -0.00    -0.00   0.01   0.00
    33   6    -0.05   0.05  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    34   6    -0.03   0.04   0.01     0.01  -0.00   0.01    -0.01  -0.00  -0.01
    35   6     0.05  -0.03   0.01    -0.01   0.00   0.00     0.01  -0.00  -0.00
    36   6     0.01   0.00  -0.00    -0.01  -0.00   0.00     0.01  -0.00  -0.01
    37   6    -0.01  -0.00   0.00     0.00   0.00  -0.00    -0.02   0.00   0.01
    38   6    -0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00   0.01   0.00
    39   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.00
    40   6     0.00   0.00  -0.00    -0.01  -0.01   0.00     0.00  -0.01  -0.00
    41   7    -0.01   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    42   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    43   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    44   6    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    45   6    -0.02   0.00  -0.01    -0.01   0.00  -0.00     0.00   0.00   0.00
    46   6    -0.01  -0.01  -0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    47   6    -0.02   0.00  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    48   6     0.04  -0.02  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    49   6     0.02  -0.04   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    50   6     0.04  -0.01  -0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    51   6     0.02  -0.04   0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    52   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    53   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
    54   6     0.00   0.00  -0.00    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    55   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.00   0.00
    56   6     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    57   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    58   6     0.01  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    59   6    -0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    60   6     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    61   6     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    62   6     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    63   6     0.01   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    64   6    -0.01   0.03  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    65   6    -0.01  -0.01   0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
    66   6     0.00   0.02  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    67   6    -0.02  -0.01   0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
    68   6     0.01   0.02  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    69   6    -0.02  -0.01   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    70   6     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    71   6    -0.03   0.00   0.01     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    72   6    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    73   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    74   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    75   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    76   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    77   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    78   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    79   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    80   8    -0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.02  -0.01   0.01
    81  15     0.00  -0.00  -0.00    -0.01   0.00   0.00     0.01   0.01  -0.01
    82   8    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.01
    83   8    -0.00   0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.01   0.00
    84   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    85   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    86   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    87   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    88   1    -0.01   0.01  -0.01     0.02   0.02  -0.00    -0.03   0.02  -0.01
    89   1     0.03  -0.07   0.01    -0.08   0.30  -0.04     0.09  -0.37   0.05
    90   1    -0.09   0.03   0.02     0.14  -0.04  -0.00    -0.05   0.00  -0.00
    91   1     0.01   0.02  -0.00     0.06   0.02   0.02     0.05   0.07   0.03
    92   1     0.08  -0.01   0.04     0.48  -0.01   0.18    -0.26   0.04  -0.10
    93   1    -0.03  -0.03  -0.02    -0.16  -0.22  -0.15     0.25   0.39   0.20
    94   1     0.01   0.00  -0.00    -0.19   0.01   0.05     0.10  -0.03  -0.02
    95   1    -0.02  -0.02   0.02     0.30   0.26  -0.20     0.09   0.04  -0.04
    96   1     0.03  -0.00  -0.01     0.33  -0.01  -0.06     0.59  -0.03  -0.10
    97   1    -0.12  -0.13  -0.12    -0.02  -0.00  -0.03     0.00  -0.01   0.01
    98   1     0.14   0.00   0.00     0.13   0.01   0.01    -0.05  -0.01  -0.01
    99   1     0.07   0.08   0.07     0.06   0.05   0.05    -0.02  -0.01  -0.01
   100   1    -0.21  -0.00  -0.01    -0.02  -0.01   0.00    -0.03   0.00   0.00
   101   1     0.20  -0.39  -0.11    -0.00  -0.01   0.00    -0.00   0.02   0.00
   102   1    -0.30   0.09  -0.09     0.06  -0.03   0.01    -0.04   0.02  -0.01
   103   1    -0.13   0.27   0.08     0.04  -0.05  -0.01    -0.03   0.04   0.01
   104   1     0.42  -0.13   0.12     0.03  -0.00   0.01    -0.04   0.00  -0.01
   105   1     0.03  -0.00  -0.02    -0.05   0.00   0.04    -0.05   0.01   0.03
   106   1    -0.03  -0.03   0.01     0.04   0.04  -0.01    -0.04  -0.02   0.01
   107   1    -0.03   0.00   0.02     0.04  -0.01  -0.02    -0.01  -0.02   0.00
   108   1     0.02   0.02  -0.01    -0.07  -0.07   0.01    -0.09  -0.10   0.00
   109   1     0.05  -0.07   0.04     0.01  -0.02   0.01    -0.00   0.00  -0.00
   110   1     0.01   0.03  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
   111   1     0.05   0.00   0.02     0.01   0.00   0.00    -0.00  -0.00  -0.00
   112   1    -0.03   0.06  -0.03    -0.01   0.02  -0.01     0.00  -0.00   0.00
   113   1     0.00  -0.07   0.02     0.00  -0.02   0.01    -0.00   0.01  -0.00
   114   1     0.04   0.04   0.01     0.01   0.01   0.00    -0.00  -0.00  -0.00
   115   1     0.02  -0.02   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
   116   1     0.01   0.09  -0.01     0.00   0.02  -0.00    -0.00  -0.01   0.00
   117   1     0.05   0.17  -0.07    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   118   1    -0.05  -0.01   0.02    -0.00   0.00   0.00     0.00   0.00  -0.00
   119   1    -0.06   0.11  -0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
   120   1    -0.06  -0.12   0.06     0.00   0.00  -0.00     0.00   0.00  -0.00
   121   1     0.11   0.08  -0.06    -0.00  -0.00   0.00     0.00   0.00  -0.00
   122   1    -0.12   0.05   0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
   123   1     0.01   0.06  -0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
   124   1    -0.17  -0.08   0.07     0.00   0.00  -0.00    -0.00  -0.00   0.00
   125   1    -0.01   0.01  -0.01     0.03  -0.02   0.01     0.02  -0.01   0.01
   126   1    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.00   0.01  -0.01
   127   1    -0.01  -0.00   0.00     0.01   0.00  -0.00    -0.01   0.00   0.00
   128   1     0.01  -0.01   0.01    -0.02   0.02  -0.01    -0.02   0.02  -0.01
   129   1    -0.00   0.01  -0.01     0.01  -0.02   0.02     0.01  -0.02   0.02
   130   1    -0.01  -0.01   0.01     0.01   0.00  -0.00    -0.00  -0.00   0.00
   131   1    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.01  -0.00   0.00
   132   1     0.00  -0.01   0.01    -0.00   0.03  -0.02    -0.00   0.03  -0.02
   133   1     0.00   0.00   0.00    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01
   134   1     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.01  -0.02
   135   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
   136   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   137   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
   138   1     0.00  -0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.02   0.01
   139   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01  -0.01
   140   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.01   0.01
   141   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
   142   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
   143  17     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
                    268                    269                    270
                      A                      A                      A
 Frequencies --   1255.6653              1255.8462              1256.2068
 Red. masses --      2.6787                 2.6743                 2.6660
 Frc consts  --      2.4884                 2.4850                 2.4787
 IR Inten    --    117.1814                33.8110                83.8723
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   7    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00   0.00
    16   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    17   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   7     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    19   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.00
    20   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    22   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    25   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01   0.00
    26   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    27   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    28   6    -0.01   0.01   0.02    -0.01   0.01   0.01    -0.00   0.00   0.00
    29   6     0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    32   6    -0.00  -0.00  -0.00     0.01   0.00   0.01     0.00  -0.00  -0.00
    33   6     0.01   0.01   0.01    -0.01  -0.01  -0.02     0.00   0.00   0.00
    34   6    -0.00  -0.00  -0.00    -0.00   0.01   0.01     0.00  -0.00   0.00
    35   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    36   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    37   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    38   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.02   0.01
    39   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    40   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    41   7     0.05   0.06  -0.03    -0.09  -0.10   0.05     0.00   0.01  -0.00
    42   7    -0.04   0.14  -0.04    -0.02   0.08  -0.02    -0.00   0.00  -0.00
    43   7     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.08   0.12  -0.09
    44   6    -0.14  -0.08  -0.05    -0.08  -0.05  -0.03    -0.00  -0.00  -0.00
    45   6    -0.02  -0.06   0.00    -0.01  -0.03   0.00    -0.00  -0.00   0.00
    46   6     0.04  -0.03   0.03     0.02  -0.02   0.01     0.00  -0.00   0.00
    47   6     0.15   0.04   0.06     0.09   0.02   0.04     0.00   0.00   0.00
    48   6    -0.08   0.06   0.00     0.14  -0.09  -0.00    -0.01   0.01   0.00
    49   6    -0.03  -0.01   0.01     0.05   0.01  -0.02    -0.00  -0.00   0.00
    50   6    -0.00  -0.03   0.01     0.01   0.06  -0.02    -0.00  -0.00   0.00
    51   6     0.07  -0.07   0.01    -0.11   0.12  -0.01     0.01  -0.01   0.00
    52   6     0.01   0.00  -0.00    -0.01  -0.00   0.00    -0.16  -0.08   0.08
    53   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.05   0.05
    54   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.06  -0.03   0.02
    55   6    -0.01  -0.00   0.00     0.01   0.00  -0.00     0.18   0.04  -0.05
    56   6    -0.03  -0.05  -0.01    -0.02  -0.03  -0.00    -0.00  -0.00  -0.00
    57   6    -0.00   0.02  -0.01    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    58   6    -0.05   0.02  -0.02    -0.03   0.01  -0.01    -0.00   0.00  -0.00
    59   6     0.01  -0.06   0.02     0.01  -0.04   0.01     0.00  -0.00   0.00
    60   6     0.02  -0.05   0.02     0.01  -0.03   0.01     0.00  -0.00   0.00
    61   6     0.02   0.05   0.00     0.01   0.03   0.00     0.00   0.00   0.00
    62   6    -0.01   0.02  -0.01    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    63   6     0.05  -0.01   0.02     0.03  -0.01   0.01     0.00  -0.00   0.00
    64   6    -0.03   0.01   0.01     0.05  -0.01  -0.01    -0.00   0.00   0.00
    65   6     0.01   0.01  -0.01    -0.02  -0.02   0.01     0.00   0.00  -0.00
    66   6    -0.00   0.03  -0.01     0.01  -0.05   0.02    -0.00   0.00  -0.00
    67   6    -0.03  -0.02   0.01     0.04   0.04  -0.02    -0.00  -0.00   0.00
    68   6    -0.02  -0.03   0.01     0.03   0.05  -0.02    -0.00  -0.00   0.00
    69   6     0.03   0.00  -0.01    -0.05  -0.00   0.01     0.00   0.00  -0.00
    70   6     0.01   0.01  -0.01    -0.01  -0.02   0.01     0.00   0.00  -0.00
    71   6     0.01  -0.03   0.01    -0.02   0.05  -0.01     0.00  -0.00   0.00
    72   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.04   0.04
    73   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.02  -0.02
    74   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.06   0.02  -0.01
    75   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.02  -0.05   0.05
    76   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.04  -0.05   0.04
    77   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.02   0.04  -0.04
    78   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.02  -0.02
    79   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.06  -0.01   0.00
    80   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    81  15     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    82   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    83   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    84   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    85   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    86   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    87   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    88   1     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.00   0.00   0.00
    89   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.02  -0.00
    90   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    91   1    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.01  -0.02  -0.01
    92   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    93   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    94   1     0.01  -0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.00  -0.00
    95   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.03  -0.03   0.02
    96   1     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.02  -0.01  -0.00
    97   1    -0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.00   0.00   0.00
    98   1     0.08  -0.01   0.01     0.05  -0.01   0.00     0.01   0.00   0.00
    99   1    -0.04  -0.06  -0.04    -0.02  -0.04  -0.02     0.00   0.00   0.00
   100   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   101   1     0.00  -0.01  -0.00     0.00   0.01   0.00     0.00  -0.00  -0.00
   102   1    -0.05   0.01  -0.01     0.08  -0.01   0.01     0.00  -0.00   0.00
   103   1     0.01  -0.04  -0.01    -0.02   0.08   0.01     0.00  -0.01  -0.00
   104   1    -0.00  -0.00  -0.00     0.01   0.00   0.00     0.00  -0.00   0.00
   105   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   106   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.06  -0.08   0.03
   107   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.08  -0.03  -0.02
   108   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
   109   1    -0.26   0.30  -0.17    -0.16   0.18  -0.10    -0.00   0.01  -0.00
   110   1     0.01   0.07  -0.01     0.01   0.04  -0.01     0.00   0.00  -0.00
   111   1    -0.11   0.01  -0.05    -0.06   0.01  -0.03    -0.00   0.00  -0.00
   112   1     0.14  -0.26   0.12     0.08  -0.15   0.07     0.00  -0.00   0.00
   113   1     0.02  -0.30   0.08     0.01  -0.18   0.05     0.00  -0.00   0.00
   114   1     0.08   0.09   0.02     0.05   0.05   0.01     0.00   0.00   0.00
   115   1    -0.05   0.05  -0.03    -0.03   0.03  -0.02    -0.00   0.00  -0.00
   116   1     0.05   0.43  -0.06     0.03   0.25  -0.03     0.00   0.01  -0.00
   117   1     0.06   0.23  -0.09    -0.10  -0.39   0.16     0.01   0.02  -0.01
   118   1     0.04   0.01  -0.01    -0.06  -0.02   0.03     0.00   0.00  -0.00
   119   1    -0.03   0.07  -0.02     0.05  -0.11   0.03    -0.00   0.01  -0.00
   120   1    -0.08  -0.15   0.08     0.13   0.25  -0.13    -0.01  -0.01   0.01
   121   1    -0.14  -0.10   0.08     0.24   0.17  -0.13    -0.01  -0.01   0.01
   122   1     0.07  -0.02  -0.01    -0.11   0.03   0.02     0.01  -0.00  -0.00
   123   1     0.01   0.04  -0.02    -0.01  -0.07   0.03     0.00   0.00  -0.00
   124   1     0.22   0.10  -0.09    -0.38  -0.16   0.15     0.02   0.01  -0.01
   125   1     0.02  -0.01   0.01    -0.01   0.01  -0.01    -0.39   0.25  -0.20
   126   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.06  -0.06
   127   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.14   0.01   0.00
   128   1    -0.01   0.01  -0.01     0.01  -0.01   0.01     0.23  -0.21   0.19
   129   1    -0.00   0.01  -0.01     0.00  -0.01   0.01     0.09  -0.26   0.24
   130   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.08   0.08  -0.08
   131   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.07   0.04  -0.03
   132   1     0.00  -0.01   0.01    -0.00   0.01  -0.01    -0.03   0.38  -0.33
   133   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
   134   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
   135   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
   136   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   137   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   138   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   139   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
   140   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   141   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   142   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   143  17    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
                    271                    272                    273
                      A                      A                      A
 Frequencies --   1258.5598              1266.5343              1266.6307
 Red. masses --      2.4062                 2.7819                 2.7630
 Frc consts  --      2.2456                 2.6293                 2.6117
 IR Inten    --     31.8400                40.3248                 7.6363
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01  -0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
     2   6     0.04  -0.03  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.06  -0.07  -0.00     0.01  -0.01  -0.00     0.00   0.00   0.00
     4   6    -0.04   0.01   0.00     0.01  -0.01   0.00     0.00   0.01  -0.00
     5   6     0.01   0.02  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.01  -0.02   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.01   0.09   0.00     0.01   0.01   0.00    -0.00   0.00  -0.00
     8   6     0.04   0.03   0.02     0.02   0.00   0.01    -0.01  -0.00  -0.00
     9   6    -0.00  -0.07   0.02    -0.02  -0.00  -0.00     0.01  -0.01   0.00
    10   6     0.05   0.03  -0.02    -0.01   0.01  -0.00     0.00   0.01  -0.00
    11   6     0.01   0.02   0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.03   0.01   0.01     0.01   0.00   0.00    -0.00  -0.00  -0.00
    13   6     0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6    -0.00  -0.02  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   7    -0.07   0.02   0.01     0.02  -0.00  -0.00    -0.01   0.00  -0.00
    16   6     0.05   0.05  -0.04    -0.02  -0.01   0.01    -0.00   0.00  -0.00
    17   6    -0.10   0.06  -0.01     0.00  -0.01   0.00    -0.01   0.00  -0.00
    18   7     0.07  -0.07   0.01    -0.00   0.01  -0.00     0.00  -0.01   0.00
    19   6     0.08  -0.01  -0.01    -0.01  -0.00   0.00     0.00  -0.00   0.00
    20   6    -0.05  -0.02   0.02     0.01  -0.00  -0.00     0.00   0.00  -0.00
    21   6    -0.07   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    22   6    -0.06  -0.01   0.02     0.01   0.00  -0.00    -0.00  -0.00   0.00
    23   6    -0.05   0.04  -0.00    -0.01   0.01  -0.00    -0.00   0.00   0.00
    24   6    -0.05  -0.02  -0.02    -0.01  -0.00  -0.00     0.00   0.00   0.00
    25   6     0.11   0.05  -0.03    -0.01  -0.00   0.00     0.00   0.00  -0.00
    26   6    -0.01  -0.01  -0.01    -0.03   0.00   0.00     0.02  -0.00  -0.00
    27   6     0.01   0.01   0.01     0.02   0.01   0.00    -0.02  -0.00  -0.00
    28   6     0.00   0.00   0.00     0.07   0.03   0.03    -0.06  -0.02  -0.02
    29   6     0.02  -0.00  -0.00     0.02   0.01   0.01    -0.01  -0.01  -0.01
    30   6    -0.01  -0.00  -0.00    -0.01  -0.02  -0.02     0.01   0.02   0.01
    31   6    -0.01   0.01   0.00    -0.03   0.01  -0.01    -0.02   0.00  -0.01
    32   6     0.01  -0.02  -0.01     0.02  -0.01   0.00     0.01  -0.01   0.00
    33   6    -0.00  -0.00  -0.00     0.06  -0.05   0.00     0.05  -0.04   0.00
    34   6     0.02  -0.00   0.01     0.02  -0.02  -0.00     0.01  -0.01  -0.00
    35   6    -0.01   0.01  -0.00    -0.01   0.03   0.01    -0.01   0.02   0.01
    36   6     0.03  -0.00  -0.01    -0.00  -0.00   0.00    -0.01  -0.02   0.00
    37   6    -0.03   0.01   0.02     0.00  -0.00  -0.00     0.01   0.01  -0.00
    38   6    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.06   0.02  -0.02
    39   6    -0.02  -0.03   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.01
    40   6     0.01   0.00  -0.01    -0.00  -0.00   0.00    -0.02   0.01   0.01
    41   7    -0.00  -0.00   0.00    -0.01   0.01  -0.00    -0.01   0.01  -0.00
    42   7    -0.00  -0.00   0.00    -0.01  -0.01  -0.00     0.01   0.00   0.00
    43   7     0.00  -0.01   0.01     0.00   0.00  -0.00    -0.01  -0.00   0.00
    44   6     0.00  -0.00   0.00    -0.03  -0.10   0.01     0.02   0.08  -0.00
    45   6     0.00  -0.00   0.00     0.11  -0.03   0.05    -0.08   0.02  -0.04
    46   6     0.00   0.00   0.00     0.07   0.10   0.01    -0.05  -0.08  -0.01
    47   6    -0.00   0.00  -0.00    -0.08   0.06  -0.05     0.06  -0.05   0.04
    48   6    -0.00  -0.00   0.00    -0.10  -0.02   0.03    -0.08  -0.02   0.03
    49   6     0.00  -0.00   0.00     0.03  -0.11   0.03     0.03  -0.10   0.02
    50   6     0.00   0.00  -0.00     0.11  -0.01  -0.02     0.10  -0.01  -0.02
    51   6    -0.00   0.00  -0.00     0.01   0.10  -0.03     0.01   0.09  -0.03
    52   6     0.01   0.01  -0.01    -0.00  -0.00   0.00    -0.01  -0.06   0.06
    53   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.10  -0.01   0.01
    54   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.04   0.06  -0.06
    55   6    -0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.07   0.03  -0.02
    56   6    -0.00   0.00  -0.00    -0.03   0.03  -0.02     0.02  -0.02   0.01
    57   6    -0.00  -0.00   0.00    -0.01  -0.05   0.01     0.00   0.04  -0.01
    58   6     0.00  -0.00   0.00     0.03  -0.03   0.02    -0.02   0.03  -0.02
    59   6    -0.00   0.00  -0.00    -0.05   0.01  -0.02     0.04  -0.01   0.02
    60   6    -0.00  -0.00  -0.00    -0.03  -0.04  -0.01     0.03   0.03   0.01
    61   6    -0.00   0.00  -0.00     0.01   0.05  -0.01    -0.00  -0.04   0.00
    62   6    -0.00   0.00  -0.00    -0.03   0.03  -0.02     0.02  -0.03   0.02
    63   6    -0.00  -0.00  -0.00    -0.01  -0.04   0.01     0.00   0.03  -0.00
    64   6     0.00  -0.00  -0.00     0.01   0.04  -0.01     0.01   0.03  -0.01
    65   6    -0.00  -0.00   0.00    -0.04  -0.02   0.02    -0.03  -0.01   0.01
    66   6    -0.00  -0.00   0.00    -0.01  -0.04   0.02    -0.01  -0.04   0.01
    67   6     0.00   0.00  -0.00    -0.02   0.04  -0.01    -0.02   0.04  -0.01
    68   6    -0.00   0.00  -0.00    -0.05   0.01   0.01    -0.04   0.01   0.01
    69   6     0.00   0.00  -0.00     0.04   0.02  -0.02     0.03   0.01  -0.01
    70   6    -0.00   0.00  -0.00     0.01   0.04  -0.02     0.01   0.04  -0.01
    71   6    -0.00   0.00  -0.00    -0.04  -0.01   0.01    -0.03  -0.01   0.01
    72   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.03   0.02  -0.01
    73   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.03   0.03
    74   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.03  -0.02   0.01
    75   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.04   0.00  -0.00
    76   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02  -0.02   0.02
    77   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.03  -0.02
    78   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.03   0.02  -0.01
    79   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.03   0.02
    80   8     0.00   0.00  -0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
    81  15     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    82   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    83   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    84   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    85   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    86   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    87   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    88   1     0.00   0.08   0.01    -0.03   0.08   0.00    -0.01   0.02   0.00
    89   1    -0.05   0.18  -0.02    -0.01   0.02  -0.00     0.00  -0.02   0.00
    90   1     0.04  -0.03  -0.00    -0.04   0.01  -0.00     0.01  -0.00  -0.00
    91   1    -0.17  -0.22  -0.08    -0.05  -0.07  -0.03     0.01   0.01   0.01
    92   1     0.03  -0.00   0.02    -0.04   0.00  -0.01    -0.00   0.00  -0.01
    93   1    -0.12  -0.20  -0.11    -0.01  -0.01  -0.01     0.01   0.01   0.01
    94   1     0.39  -0.07  -0.09    -0.03   0.00   0.01     0.01  -0.00  -0.00
    95   1    -0.29  -0.28   0.21     0.03   0.03  -0.02    -0.00  -0.01  -0.00
    96   1     0.45  -0.07  -0.06    -0.01   0.01   0.00     0.02  -0.00  -0.00
    97   1     0.02   0.04   0.03    -0.08  -0.05  -0.05     0.07   0.05   0.05
    98   1     0.06   0.01   0.01    -0.06   0.00   0.02     0.05   0.00  -0.01
    99   1     0.04   0.02   0.02    -0.02  -0.04  -0.05     0.02   0.03   0.04
   100   1     0.06  -0.00  -0.01    -0.11  -0.02  -0.02     0.09   0.02   0.01
   101   1     0.02  -0.05  -0.01    -0.06   0.07   0.01    -0.06   0.07   0.01
   102   1     0.06  -0.03   0.01    -0.04   0.01  -0.03    -0.04   0.01  -0.03
   103   1     0.04  -0.05  -0.01    -0.02   0.05   0.03    -0.02   0.05   0.03
   104   1     0.05  -0.01   0.01    -0.08   0.05  -0.02    -0.09   0.05  -0.02
   105   1    -0.06   0.03   0.01     0.01  -0.00  -0.00    -0.09  -0.00   0.04
   106   1    -0.13  -0.09   0.04     0.01   0.01  -0.00    -0.04  -0.04  -0.00
   107   1    -0.10  -0.02   0.04     0.01   0.00  -0.00    -0.04   0.01   0.03
   108   1    -0.09  -0.11   0.01     0.00   0.01  -0.00    -0.08  -0.06   0.02
   109   1    -0.00   0.00  -0.00    -0.11   0.16  -0.08     0.09  -0.13   0.06
   110   1    -0.00  -0.01   0.00    -0.02  -0.09   0.01     0.02   0.07  -0.01
   111   1     0.01  -0.00   0.00     0.16  -0.02   0.08    -0.13   0.01  -0.06
   112   1     0.00  -0.01   0.00     0.14  -0.29   0.13    -0.11   0.22  -0.10
   113   1    -0.00   0.02  -0.00    -0.04   0.33  -0.09     0.03  -0.25   0.07
   114   1     0.00   0.01   0.00     0.12   0.13   0.03    -0.09  -0.10  -0.02
   115   1    -0.00   0.00  -0.00    -0.06   0.05  -0.04     0.05  -0.04   0.03
   116   1    -0.00  -0.02   0.00    -0.00  -0.21   0.04     0.00   0.16  -0.03
   117   1    -0.00  -0.00   0.00     0.07   0.17  -0.08     0.06   0.15  -0.07
   118   1    -0.00  -0.00   0.00    -0.08  -0.02   0.03    -0.07  -0.02   0.02
   119   1     0.00  -0.01   0.00     0.07  -0.15   0.03     0.06  -0.13   0.03
   120   1    -0.00   0.00  -0.00    -0.15  -0.25   0.13    -0.13  -0.22   0.12
   121   1     0.00   0.00  -0.00     0.23   0.18  -0.13     0.20   0.16  -0.11
   122   1     0.00  -0.00  -0.00     0.16  -0.04  -0.03     0.14  -0.04  -0.02
   123   1    -0.00   0.00  -0.00     0.01   0.08  -0.03     0.01   0.07  -0.03
   124   1    -0.00  -0.00   0.00    -0.16  -0.09   0.07    -0.14  -0.08   0.07
   125   1     0.03  -0.02   0.02    -0.00   0.00  -0.00    -0.12   0.09  -0.08
   126   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.05   0.05
   127   1    -0.01  -0.00   0.00     0.00  -0.00  -0.00     0.14  -0.00  -0.00
   128   1    -0.02   0.02  -0.02     0.00  -0.00   0.00     0.16  -0.16   0.14
   129   1    -0.00   0.01  -0.01    -0.00   0.00  -0.00    -0.08   0.18  -0.17
   130   1    -0.01  -0.01   0.01     0.00   0.00  -0.00     0.08   0.08  -0.08
   131   1     0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.06   0.03  -0.02
   132   1     0.00  -0.02   0.02     0.00  -0.00   0.00     0.03  -0.12   0.11
   133   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   134   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
   135   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   136   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
   137   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   138   1     0.00  -0.02  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
   139   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
   140   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   141   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   142   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   143  17     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
                    274                    275                    276
                      A                      A                      A
 Frequencies --   1266.6531              1273.0984              1285.1241
 Red. masses --      2.7597                 2.8877                 2.0264
 Frc consts  --      2.6088                 2.7576                 1.9718
 IR Inten    --     18.4411               131.2951                31.6651
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.03   0.04  -0.00     0.04  -0.07   0.00
     2   6    -0.00   0.00   0.00     0.01  -0.00   0.00    -0.04  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.01   0.08   0.00     0.11  -0.04  -0.00
     4   6    -0.00   0.00   0.00    -0.04   0.07  -0.01     0.06   0.05  -0.01
     5   6     0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.05  -0.01   0.00
     6   6    -0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.00  -0.01   0.00
     7   6    -0.00  -0.00  -0.00    -0.04  -0.09  -0.02     0.02   0.02   0.01
     8   6    -0.00  -0.00  -0.00    -0.14  -0.04  -0.06    -0.07  -0.02  -0.03
     9   6     0.00  -0.00   0.00     0.19   0.03   0.02     0.11  -0.02   0.03
    10   6     0.00   0.00  -0.00     0.03  -0.03  -0.00    -0.02   0.04  -0.02
    11   6     0.00   0.00   0.00     0.03  -0.02   0.01    -0.01  -0.02  -0.00
    12   6     0.00   0.00   0.00    -0.05  -0.00  -0.01     0.02   0.00   0.01
    13   6     0.00   0.00   0.00     0.03   0.02   0.01     0.02   0.03   0.01
    14   6    -0.00   0.00  -0.00    -0.02  -0.02  -0.01    -0.02  -0.01  -0.01
    15   7     0.01   0.00  -0.00    -0.14   0.01   0.02    -0.06   0.01   0.00
    16   6    -0.01  -0.00   0.00     0.09   0.03  -0.03     0.03   0.01  -0.01
    17   6    -0.01   0.00   0.00     0.00   0.04  -0.02     0.01   0.00  -0.01
    18   7     0.00  -0.00   0.00    -0.01  -0.03   0.02    -0.04  -0.01   0.02
    19   6    -0.00  -0.00   0.00     0.03   0.01  -0.01    -0.00  -0.00   0.00
    20   6     0.01  -0.00  -0.00    -0.03   0.02  -0.00    -0.00   0.01  -0.01
    21   6    -0.00   0.00  -0.00    -0.02  -0.02   0.01     0.03  -0.02   0.00
    22   6     0.00   0.00  -0.00    -0.04  -0.01   0.02     0.00  -0.00  -0.00
    23   6     0.00  -0.00   0.00     0.06  -0.05   0.00    -0.07   0.07   0.00
    24   6    -0.00  -0.00  -0.00     0.06   0.03   0.03    -0.02  -0.02  -0.02
    25   6     0.00   0.00  -0.00     0.04   0.01  -0.02    -0.02  -0.02   0.00
    26   6    -0.02   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    27   6     0.01   0.00   0.00     0.00  -0.01  -0.01    -0.00   0.01   0.01
    28   6     0.04   0.02   0.01     0.02   0.01   0.01     0.00  -0.00  -0.00
    29   6     0.01   0.01   0.01    -0.01   0.01   0.00     0.01   0.00   0.00
    30   6    -0.01  -0.01  -0.01     0.01  -0.00  -0.00    -0.01   0.00   0.00
    31   6     0.02  -0.00   0.01     0.00  -0.01  -0.00    -0.01   0.02   0.00
    32   6    -0.01   0.01  -0.00    -0.00   0.02   0.01     0.00  -0.03  -0.01
    33   6    -0.04   0.03  -0.00     0.01  -0.01   0.00    -0.01   0.00  -0.00
    34   6    -0.01   0.01   0.00    -0.02  -0.00  -0.01     0.02   0.00   0.01
    35   6     0.01  -0.02  -0.01     0.01  -0.00   0.00    -0.01   0.00  -0.00
    36   6    -0.02  -0.03   0.00     0.01   0.00  -0.00    -0.01   0.00   0.01
    37   6     0.02   0.01  -0.00    -0.01   0.01   0.01     0.01   0.00  -0.00
    38   6     0.08   0.03  -0.03    -0.00   0.00   0.00     0.00  -0.01  -0.00
    39   6     0.02  -0.00  -0.01    -0.01  -0.01   0.00     0.00   0.01   0.00
    40   6    -0.03   0.01   0.01     0.01   0.01  -0.00    -0.00   0.00   0.00
    41   7     0.01  -0.01   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    42   7    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    43   7    -0.01  -0.01   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    44   6    -0.02  -0.06   0.00    -0.01  -0.02   0.00    -0.00   0.00  -0.00
    45   6     0.06  -0.02   0.03     0.02  -0.00   0.01     0.00  -0.00   0.00
    46   6     0.04   0.05   0.01     0.01   0.02   0.00     0.00   0.00   0.00
    47   6    -0.04   0.03  -0.02    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    48   6     0.06   0.01  -0.02    -0.01  -0.00   0.00     0.00   0.00  -0.00
    49   6    -0.02   0.07  -0.02     0.00  -0.01   0.00    -0.00   0.00  -0.00
    50   6    -0.07   0.01   0.01     0.01  -0.00  -0.00    -0.00  -0.00   0.00
    51   6    -0.00  -0.06   0.02    -0.00   0.01  -0.00     0.00  -0.00   0.00
    52   6    -0.02  -0.09   0.08     0.00   0.00  -0.00    -0.00   0.00  -0.00
    53   6     0.14  -0.02   0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    54   6     0.07   0.09  -0.09     0.00  -0.00   0.00     0.00  -0.00   0.00
    55   6    -0.11   0.05  -0.04     0.00  -0.00   0.00     0.00   0.00  -0.00
    56   6    -0.01   0.02  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    57   6    -0.00  -0.03   0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    58   6     0.02  -0.02   0.01     0.01  -0.01   0.00     0.00  -0.00   0.00
    59   6    -0.02   0.00  -0.01    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    60   6    -0.02  -0.02  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
    61   6     0.00   0.02  -0.00     0.00   0.01  -0.00     0.00   0.00   0.00
    62   6    -0.02   0.02  -0.01    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    63   6    -0.00  -0.02   0.00    -0.00  -0.01   0.00     0.00  -0.00   0.00
    64   6    -0.01  -0.02   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    65   6     0.02   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    66   6     0.01   0.02  -0.01    -0.00  -0.01   0.00    -0.00   0.00  -0.00
    67   6     0.01  -0.03   0.01    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    68   6     0.03  -0.01  -0.01    -0.01   0.00   0.00     0.00  -0.00  -0.00
    69   6    -0.02  -0.01   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    70   6    -0.01  -0.02   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    71   6     0.02   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    72   6    -0.04   0.02  -0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    73   6     0.00  -0.04   0.04     0.00   0.00  -0.00    -0.00   0.00  -0.00
    74   6     0.04  -0.03   0.02    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    75   6    -0.06   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    76   6    -0.03  -0.04   0.04    -0.00   0.00  -0.00     0.00  -0.00   0.00
    77   6    -0.00   0.04  -0.04     0.00  -0.00   0.00     0.00  -0.00   0.00
    78   6    -0.04   0.03  -0.02     0.00  -0.00   0.00     0.00   0.00  -0.00
    79   6     0.00  -0.04   0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    80   8    -0.00  -0.00   0.00     0.07   0.01  -0.03     0.06   0.01  -0.03
    81  15     0.00   0.00  -0.00    -0.04  -0.00   0.02    -0.04  -0.00   0.01
    82   8     0.00   0.00   0.00     0.01   0.00   0.01     0.01   0.00   0.01
    83   8     0.00  -0.00   0.00     0.00  -0.01  -0.00     0.01  -0.01  -0.00
    84   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01
    85   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    86   6     0.00   0.00  -0.00    -0.00   0.01   0.00     0.00   0.01   0.00
    87   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    88   1     0.00  -0.01  -0.00     0.15  -0.39   0.00    -0.31   0.76  -0.03
    89   1     0.00  -0.01   0.00     0.04  -0.13   0.02     0.05  -0.33   0.05
    90   1    -0.00   0.00   0.00     0.21  -0.06  -0.00    -0.05  -0.01  -0.00
    91   1     0.00  -0.00  -0.00     0.36   0.43   0.17    -0.06  -0.10  -0.05
    92   1     0.00   0.00   0.00     0.29  -0.01   0.09    -0.05   0.04  -0.00
    93   1     0.00   0.01   0.00     0.05   0.08   0.04     0.04   0.08   0.03
    94   1    -0.00  -0.00   0.00     0.12  -0.01  -0.03     0.01  -0.00  -0.00
    95   1     0.01   0.01  -0.01    -0.15  -0.12   0.09    -0.02  -0.01   0.01
    96   1     0.04  -0.00  -0.00     0.01  -0.02   0.01    -0.14   0.02   0.02
    97   1    -0.04  -0.03  -0.03    -0.07  -0.08  -0.08     0.02   0.03   0.02
    98   1    -0.03  -0.00   0.01    -0.06  -0.02  -0.01     0.03   0.01   0.01
    99   1    -0.01  -0.02  -0.03    -0.04  -0.02  -0.02     0.02   0.02   0.01
   100   1    -0.06  -0.01  -0.01    -0.10  -0.01   0.01     0.00   0.00  -0.00
   101   1     0.04  -0.05  -0.01    -0.04   0.09   0.03     0.05  -0.12  -0.03
   102   1     0.03  -0.01   0.02    -0.06   0.04  -0.01     0.11  -0.06   0.02
   103   1     0.01  -0.03  -0.02    -0.05   0.06   0.01     0.04  -0.03  -0.00
   104   1     0.06  -0.03   0.01    -0.11   0.03  -0.04     0.10  -0.03   0.05
   105   1    -0.13  -0.01   0.06    -0.05   0.02   0.01     0.00   0.00  -0.00
   106   1    -0.05  -0.06  -0.01    -0.05  -0.03   0.02     0.02   0.01  -0.01
   107   1    -0.06   0.02   0.05    -0.03  -0.01   0.01     0.03   0.01  -0.01
   108   1    -0.12  -0.09   0.03    -0.00  -0.01   0.00     0.04   0.05  -0.01
   109   1    -0.06   0.09  -0.04    -0.01   0.02  -0.01    -0.00   0.00  -0.00
   110   1    -0.01  -0.05   0.00    -0.00  -0.01   0.00     0.00   0.00   0.00
   111   1     0.09  -0.01   0.04     0.03  -0.00   0.01     0.00  -0.00   0.00
   112   1     0.07  -0.15   0.07     0.02  -0.05   0.02     0.00  -0.00   0.00
   113   1    -0.02   0.17  -0.05    -0.01   0.05  -0.01    -0.00  -0.00   0.00
   114   1     0.06   0.07   0.01     0.02   0.02   0.00    -0.00  -0.00  -0.00
   115   1    -0.03   0.03  -0.02    -0.01   0.01  -0.00     0.00   0.00   0.00
   116   1    -0.00  -0.11   0.02     0.00  -0.03   0.01     0.00   0.00  -0.00
   117   1    -0.04  -0.11   0.05     0.01   0.01  -0.01    -0.00  -0.00   0.00
   118   1     0.05   0.01  -0.02    -0.01  -0.00   0.00     0.00   0.00  -0.00
   119   1    -0.04   0.09  -0.02     0.01  -0.02   0.00    -0.00   0.00  -0.00
   120   1     0.09   0.15  -0.08    -0.01  -0.03   0.01     0.00   0.01  -0.00
   121   1    -0.14  -0.11   0.08     0.03   0.02  -0.02    -0.01  -0.01   0.01
   122   1    -0.10   0.03   0.02     0.02  -0.00  -0.00    -0.01   0.00   0.00
   123   1    -0.01  -0.05   0.02     0.00   0.01  -0.00    -0.00   0.00   0.00
   124   1     0.10   0.06  -0.05    -0.02  -0.01   0.01     0.01   0.00  -0.00
   125   1    -0.17   0.13  -0.11     0.00  -0.00   0.00    -0.00   0.00  -0.00
   126   1    -0.01  -0.07   0.07     0.00   0.00  -0.00     0.00   0.00  -0.00
   127   1     0.20  -0.01  -0.01    -0.01   0.00   0.00     0.00   0.00  -0.00
   128   1     0.23  -0.23   0.21    -0.00   0.00  -0.00     0.00  -0.00   0.00
   129   1    -0.11   0.27  -0.25     0.00  -0.00   0.00     0.00  -0.00   0.00
   130   1     0.12   0.12  -0.11    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   131   1    -0.09   0.04  -0.03     0.00  -0.00   0.00     0.00   0.00   0.00
   132   1     0.04  -0.18   0.16    -0.00  -0.00   0.00    -0.00   0.00  -0.00
   133   1     0.00  -0.00   0.00    -0.01  -0.00  -0.01    -0.01  -0.00  -0.02
   134   1    -0.00  -0.00  -0.00     0.01   0.02   0.05     0.01   0.02   0.05
   135   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
   136   1    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.01  -0.00   0.01
   137   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
   138   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.03   0.01
   139   1    -0.00   0.00  -0.00     0.01  -0.05  -0.00     0.01  -0.07  -0.01
   140   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
   141   1     0.00   0.00   0.00     0.01  -0.00  -0.00     0.01  -0.00   0.00
   142   1     0.00   0.00  -0.00     0.01  -0.00  -0.01     0.01  -0.01  -0.02
   143  17    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                    277                    278                    279
                      A                      A                      A
 Frequencies --   1299.8787              1302.8958              1308.5747
 Red. masses --      2.1401                 1.8690                 1.6106
 Frc consts  --      2.1305                 1.8693                 1.6249
 IR Inten    --     28.7898               120.8414                 8.0148
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.06  -0.00    -0.02   0.04  -0.00     0.04   0.03  -0.01
     2   6    -0.02   0.04   0.00    -0.02   0.02   0.00    -0.00  -0.02   0.00
     3   6    -0.01  -0.02  -0.00     0.01  -0.01  -0.00    -0.02  -0.00  -0.00
     4   6     0.00  -0.06   0.01    -0.00   0.00  -0.00     0.01   0.04  -0.00
     5   6     0.03  -0.00   0.00     0.01  -0.00  -0.00    -0.01  -0.02   0.00
     6   6    -0.00   0.01  -0.00    -0.01  -0.00   0.00    -0.02  -0.01   0.00
     7   6     0.05  -0.03   0.02     0.05  -0.04   0.02     0.02  -0.01   0.01
     8   6    -0.00  -0.07  -0.01    -0.05  -0.04  -0.02    -0.02   0.01  -0.01
     9   6    -0.00   0.02   0.00     0.07   0.03  -0.00     0.02   0.01  -0.00
    10   6    -0.02   0.02  -0.00     0.00  -0.00  -0.00     0.02  -0.00  -0.00
    11   6     0.00   0.02   0.00    -0.00  -0.00   0.00    -0.00  -0.02  -0.00
    12   6     0.08   0.06   0.03     0.05   0.06   0.02    -0.01   0.04   0.00
    13   6     0.01   0.01   0.01     0.03   0.02   0.01     0.02  -0.00   0.01
    14   6    -0.04   0.03  -0.01    -0.04   0.00  -0.02    -0.01  -0.01  -0.01
    15   7    -0.01   0.00  -0.00    -0.04  -0.01   0.01     0.01  -0.01   0.01
    16   6     0.05  -0.03   0.00     0.02   0.00  -0.00    -0.06   0.03  -0.00
    17   6     0.00  -0.03   0.01     0.01   0.02  -0.01    -0.01   0.06  -0.03
    18   7    -0.01   0.01  -0.00    -0.01  -0.01   0.01     0.01  -0.03   0.01
    19   6    -0.00   0.02  -0.01    -0.01   0.00   0.00     0.00  -0.02   0.01
    20   6    -0.00   0.01  -0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    21   6    -0.01   0.01  -0.00     0.01  -0.04   0.02     0.02  -0.03   0.01
    22   6    -0.00   0.00  -0.00    -0.01   0.00   0.00    -0.00  -0.00   0.00
    23   6     0.07  -0.04   0.01     0.05  -0.01   0.01     0.03   0.04   0.03
    24   6    -0.10  -0.04  -0.03    -0.08  -0.02  -0.02    -0.03   0.02   0.02
    25   6     0.00   0.00  -0.00     0.02  -0.03  -0.02     0.00  -0.04  -0.01
    26   6    -0.02  -0.02  -0.02    -0.01  -0.02  -0.02    -0.00  -0.01  -0.01
    27   6     0.01   0.02   0.02     0.01   0.02   0.01     0.01  -0.00  -0.00
    28   6    -0.01   0.01   0.01    -0.01   0.01   0.01    -0.01   0.01   0.01
    29   6     0.03  -0.01  -0.01     0.02  -0.01  -0.01    -0.00  -0.01  -0.01
    30   6    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.01  -0.01  -0.00
    31   6     0.01  -0.03  -0.01     0.01  -0.02  -0.01    -0.00  -0.02  -0.01
    32   6    -0.01   0.02   0.01    -0.01   0.01   0.00    -0.02  -0.00  -0.01
    33   6     0.01   0.01   0.01     0.01   0.01   0.01     0.01   0.02   0.01
    34   6    -0.02  -0.01  -0.01    -0.01  -0.01  -0.01     0.00  -0.02  -0.01
    35   6     0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.02  -0.00  -0.01
    36   6     0.00  -0.00  -0.00    -0.01   0.01   0.01    -0.02   0.01   0.01
    37   6    -0.00  -0.00   0.00     0.00   0.01   0.00     0.01   0.02  -0.00
    38   6    -0.00   0.00   0.00     0.00  -0.02  -0.00     0.01  -0.03  -0.01
    39   6     0.00  -0.00  -0.00    -0.01   0.00   0.01    -0.01   0.01   0.01
    40   6    -0.00  -0.00   0.00     0.01   0.02   0.00     0.01   0.02   0.00
    41   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    42   7     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    43   7     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    44   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    45   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    46   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    47   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    48   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    49   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    50   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    51   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    52   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    53   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    54   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    55   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.01  -0.00
    56   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    57   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    58   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    59   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    60   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    61   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    62   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    63   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    64   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    65   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    66   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    67   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    68   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    69   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    70   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    71   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    72   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    73   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    74   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    75   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    76   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    77   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    78   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    79   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    80   8     0.11   0.01  -0.05    -0.09  -0.01   0.04    -0.06  -0.01   0.03
    81  15    -0.06  -0.01   0.03     0.05   0.00  -0.02     0.04   0.01  -0.01
    82   8     0.02   0.00   0.00    -0.02  -0.01   0.00    -0.02  -0.01   0.00
    83   8     0.02  -0.01  -0.01    -0.03   0.00   0.00     0.02   0.00   0.01
    84   6    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.00  -0.00   0.01
    85   6    -0.01  -0.01   0.01     0.01   0.01  -0.01     0.01   0.02  -0.01
    86   6     0.01   0.01   0.01    -0.01  -0.01  -0.01     0.02  -0.00   0.00
    87   6    -0.04  -0.00  -0.01     0.06   0.01   0.01    -0.06  -0.01  -0.01
    88   1     0.08  -0.25   0.02     0.01  -0.06   0.01     0.02  -0.07   0.01
    89   1    -0.00   0.11  -0.02     0.02  -0.04   0.01    -0.00  -0.03   0.00
    90   1    -0.13   0.04   0.01    -0.02  -0.00   0.00    -0.05  -0.01   0.00
    91   1    -0.31  -0.41  -0.15    -0.21  -0.30  -0.11    -0.04  -0.08  -0.03
    92   1    -0.04   0.03  -0.01     0.02   0.02   0.02     0.06  -0.01   0.02
    93   1     0.09   0.23   0.09     0.08   0.18   0.07     0.03   0.04   0.02
    94   1    -0.22   0.06   0.04     0.08  -0.01  -0.02     0.33  -0.08  -0.05
    95   1    -0.03  -0.02   0.02     0.03   0.06  -0.03     0.08   0.08  -0.05
    96   1     0.13  -0.01  -0.02    -0.11   0.02   0.02    -0.27   0.03   0.04
    97   1     0.06   0.09   0.07     0.03   0.05   0.03    -0.02  -0.04  -0.04
    98   1     0.13   0.02   0.02     0.10   0.02   0.02    -0.00  -0.00  -0.00
    99   1     0.07   0.04   0.04     0.06   0.03   0.03     0.02   0.01   0.01
   100   1     0.13  -0.01  -0.01     0.12  -0.01  -0.01     0.07  -0.01  -0.00
   101   1    -0.02   0.06   0.01    -0.01   0.01   0.00     0.03  -0.10  -0.03
   102   1    -0.09   0.04  -0.02    -0.04   0.02  -0.01     0.03  -0.02   0.00
   103   1    -0.04   0.04   0.00    -0.03   0.04   0.00    -0.01   0.01   0.00
   104   1    -0.09   0.02  -0.03    -0.08   0.01  -0.02    -0.09   0.01  -0.03
   105   1    -0.01   0.00   0.00    -0.07   0.02   0.03    -0.03   0.01   0.02
   106   1    -0.01  -0.01   0.00    -0.02  -0.01   0.01     0.01   0.02  -0.00
   107   1     0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.01
   108   1    -0.00  -0.00  -0.00     0.03   0.04  -0.00     0.03   0.05  -0.00
   109   1     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
   110   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   111   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
   112   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.01
   113   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.00   0.01  -0.00
   114   1     0.01   0.01   0.00     0.01   0.01   0.00     0.01   0.01   0.00
   115   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   116   1     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
   117   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.00
   118   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   119   1    -0.01   0.01  -0.00    -0.00   0.01  -0.00    -0.01   0.01  -0.00
   120   1     0.01   0.01  -0.01     0.00   0.01  -0.00     0.01   0.01  -0.01
   121   1     0.01   0.01  -0.00     0.01   0.00  -0.00     0.01   0.01  -0.01
   122   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
   123   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   124   1    -0.01  -0.00   0.00    -0.01  -0.00   0.00    -0.01  -0.01   0.00
   125   1     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.01   0.01  -0.01
   126   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
   127   1    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.02   0.00  -0.00
   128   1    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.01  -0.01   0.01
   129   1    -0.00   0.00  -0.00     0.00  -0.01   0.01     0.01  -0.02   0.02
   130   1     0.00   0.00  -0.00    -0.01  -0.01   0.01    -0.01  -0.01   0.01
   131   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.00
   132   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.01
   133   1    -0.04  -0.02  -0.09     0.05   0.02   0.12     0.07   0.03   0.17
   134   1     0.06   0.06   0.18    -0.06  -0.06  -0.19    -0.08  -0.07  -0.24
   135   1     0.01   0.01  -0.00    -0.02  -0.01   0.01    -0.02  -0.02   0.01
   136   1     0.05  -0.01   0.03    -0.06   0.01  -0.03    -0.08   0.02  -0.03
   137   1    -0.02   0.02  -0.02     0.03  -0.03   0.02     0.04  -0.04   0.03
   138   1    -0.04   0.27   0.06     0.07  -0.45  -0.09    -0.07   0.50   0.09
   139   1     0.05  -0.35  -0.05    -0.08   0.53   0.08     0.06  -0.46  -0.09
   140   1    -0.00   0.05   0.10     0.01  -0.08  -0.16    -0.00   0.09   0.17
   141   1     0.05   0.01   0.01    -0.08  -0.01  -0.02     0.08   0.01   0.02
   142   1     0.05  -0.06  -0.10    -0.09   0.09   0.15     0.08  -0.08  -0.14
   143  17     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
                    280                    281                    282
                      A                      A                      A
 Frequencies --   1310.3548              1311.2980              1313.0867
 Red. masses --      2.6893                 3.6474                 1.3610
 Frc consts  --      2.7206                 3.6952                 1.3826
 IR Inten    --     14.1568                 4.4243                15.2960
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.16   0.06  -0.02     0.07  -0.02  -0.00    -0.03   0.01   0.00
     2   6    -0.01  -0.07   0.01    -0.00  -0.02   0.00     0.01   0.01  -0.00
     3   6    -0.05   0.03  -0.00    -0.01   0.03  -0.00    -0.01  -0.01   0.00
     4   6     0.05   0.02  -0.00     0.01  -0.02   0.00    -0.00   0.01  -0.00
     5   6    -0.02  -0.06   0.01    -0.01  -0.02   0.00     0.01   0.01  -0.00
     6   6    -0.03  -0.01   0.01     0.01  -0.00   0.00    -0.01  -0.00  -0.00
     7   6     0.00  -0.01   0.00    -0.02   0.02  -0.01    -0.00   0.00  -0.00
     8   6    -0.00   0.01  -0.00     0.03  -0.01   0.01     0.00   0.01   0.00
     9   6     0.00  -0.02   0.01    -0.03  -0.01  -0.00    -0.01   0.00  -0.00
    10   6    -0.01   0.02  -0.01    -0.01  -0.00   0.00     0.01  -0.00  -0.00
    11   6    -0.00  -0.01  -0.00    -0.00   0.02  -0.00     0.00  -0.00   0.00
    12   6    -0.04   0.02  -0.01    -0.02  -0.05  -0.01     0.01   0.01   0.00
    13   6     0.00  -0.01   0.00    -0.03   0.00  -0.01     0.00  -0.00   0.00
    14   6     0.01  -0.01   0.00     0.02   0.02   0.01    -0.00  -0.00  -0.00
    15   7     0.01   0.01  -0.00    -0.02   0.03  -0.02     0.03  -0.01  -0.00
    16   6    -0.02   0.01  -0.00     0.10  -0.11   0.03    -0.06   0.03   0.00
    17   6    -0.02  -0.01   0.01     0.06  -0.06   0.01    -0.02   0.05  -0.02
    18   7    -0.01  -0.00   0.00    -0.02   0.04  -0.01     0.02  -0.03   0.01
    19   6     0.00  -0.02   0.01    -0.04   0.10  -0.03     0.00  -0.02   0.01
    20   6     0.01  -0.01   0.00    -0.02   0.05  -0.02    -0.00  -0.01   0.00
    21   6     0.03   0.04  -0.03    -0.07  -0.16   0.10     0.02  -0.03   0.01
    22   6     0.02  -0.01  -0.00    -0.07   0.06  -0.01    -0.00   0.00  -0.00
    23   6     0.04   0.17   0.10    -0.02   0.07   0.02     0.00  -0.03  -0.01
    24   6     0.01   0.04   0.04     0.05  -0.01  -0.01    -0.01   0.00   0.00
    25   6    -0.05   0.02   0.03     0.18  -0.15  -0.11     0.01  -0.05  -0.02
    26   6     0.00  -0.01  -0.01     0.01   0.02   0.01    -0.00  -0.00  -0.00
    27   6     0.02  -0.01  -0.01    -0.02  -0.00  -0.00     0.00   0.00   0.00
    28   6    -0.01   0.02   0.01     0.01  -0.01  -0.01    -0.00   0.00   0.00
    29   6    -0.01  -0.01  -0.01    -0.01   0.02   0.01     0.00  -0.00  -0.00
    30   6     0.02  -0.01  -0.00    -0.01   0.01   0.01     0.00  -0.00  -0.00
    31   6    -0.01  -0.06  -0.03    -0.01  -0.01  -0.01     0.00   0.01   0.00
    32   6    -0.07  -0.02  -0.04    -0.02  -0.02  -0.02     0.01   0.01   0.01
    33   6     0.06   0.07   0.05     0.02   0.02   0.01    -0.01  -0.01  -0.01
    34   6     0.03  -0.07  -0.02     0.02  -0.02   0.00    -0.01   0.01   0.00
    35   6    -0.09  -0.01  -0.04    -0.03   0.00  -0.01     0.02  -0.00   0.01
    36   6     0.00  -0.01  -0.00    -0.02   0.05   0.02    -0.02   0.02   0.01
    37   6     0.00  -0.02  -0.01     0.01   0.10   0.02     0.01   0.02  -0.00
    38   6    -0.00   0.02   0.00     0.02  -0.09  -0.02     0.01  -0.04  -0.01
    39   6     0.02   0.00  -0.01    -0.08  -0.00   0.04    -0.02   0.01   0.01
    40   6    -0.01  -0.02   0.00     0.05   0.10  -0.00     0.01   0.03  -0.00
    41   7     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    42   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    43   7     0.00   0.00  -0.00    -0.00  -0.01   0.01     0.00  -0.00   0.00
    44   6     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    45   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    46   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    47   6     0.00  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    48   6    -0.02  -0.02   0.01    -0.01  -0.01   0.00     0.00   0.00  -0.00
    49   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    50   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    51   6    -0.02  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    52   6     0.00  -0.00   0.00    -0.01   0.02  -0.01    -0.01   0.01  -0.01
    53   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    54   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    55   6    -0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    56   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    57   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    58   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    59   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    60   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    61   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    62   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    63   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    64   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    65   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    66   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    67   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    68   6    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    69   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    70   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    71   6     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    72   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    73   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    74   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    75   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    76   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    77   6    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    78   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    79   6     0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    80   8     0.04   0.00  -0.02     0.00   0.00  -0.00    -0.01  -0.00   0.00
    81  15    -0.02  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    82   8     0.02   0.01   0.00    -0.00   0.00  -0.00     0.02   0.02  -0.01
    83   8    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    84   6    -0.00   0.00  -0.01     0.00   0.00   0.00     0.00   0.01  -0.01
    85   6    -0.02  -0.02   0.01    -0.00  -0.00   0.00    -0.04  -0.05   0.03
    86   6    -0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    87   6     0.03   0.00   0.01    -0.00  -0.00  -0.00     0.01   0.00   0.00
    88   1     0.05  -0.25   0.02     0.01  -0.05   0.00     0.00   0.01  -0.00
    89   1    -0.10   0.17  -0.04    -0.07   0.15  -0.03     0.03  -0.06   0.01
    90   1    -0.41   0.06   0.01    -0.20   0.04   0.01     0.10  -0.02  -0.00
    91   1     0.02   0.02   0.02     0.05   0.10   0.04    -0.01  -0.02  -0.01
    92   1     0.09  -0.03   0.03    -0.03   0.00  -0.01    -0.01  -0.00  -0.00
    93   1     0.05   0.05   0.04     0.00  -0.00  -0.00    -0.02  -0.02  -0.01
    94   1    -0.04  -0.01   0.02    -0.19   0.14  -0.00     0.29  -0.07  -0.05
    95   1    -0.04  -0.07   0.04     0.17   0.28  -0.17     0.08   0.09  -0.06
    96   1     0.01  -0.00   0.00     0.16   0.03  -0.05    -0.22   0.03   0.03
    97   1    -0.05  -0.08  -0.06     0.01   0.02   0.02     0.00  -0.00  -0.00
    98   1    -0.05  -0.01  -0.01    -0.02  -0.00  -0.00     0.01   0.00   0.00
    99   1    -0.01  -0.01  -0.01    -0.04  -0.03  -0.03     0.01   0.01   0.01
   100   1     0.03  -0.01  -0.00    -0.11   0.01   0.00     0.03  -0.00  -0.00
   101   1     0.11  -0.35  -0.11     0.04  -0.12  -0.04    -0.02   0.05   0.02
   102   1     0.11  -0.08   0.01     0.06  -0.04   0.01    -0.02   0.02  -0.00
   103   1     0.01  -0.03  -0.01     0.04  -0.05  -0.01    -0.01   0.02   0.00
   104   1    -0.18   0.02  -0.07     0.02  -0.01  -0.00    -0.00   0.00   0.00
   105   1     0.10  -0.03  -0.05    -0.46   0.15   0.23    -0.04   0.02   0.02
   106   1     0.05   0.03  -0.02    -0.22  -0.14   0.07     0.01   0.02   0.00
   107   1     0.03   0.00  -0.01    -0.04  -0.01   0.01    -0.02   0.01   0.01
   108   1    -0.00  -0.01  -0.00     0.09   0.15  -0.02     0.02   0.04   0.00
   109   1     0.00  -0.01   0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
   110   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   111   1    -0.01   0.00  -0.01     0.01   0.00   0.00    -0.00  -0.00  -0.00
   112   1    -0.01   0.01  -0.01     0.00  -0.01   0.00    -0.00   0.00  -0.00
   113   1    -0.00   0.01  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
   114   1     0.01   0.01   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
   115   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   116   1    -0.00  -0.01   0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
   117   1    -0.02  -0.04   0.02    -0.00  -0.01   0.01     0.00   0.01  -0.00
   118   1    -0.02  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
   119   1    -0.02   0.04  -0.01    -0.01   0.01  -0.00     0.00  -0.01   0.00
   120   1     0.03   0.05  -0.03     0.01   0.01  -0.01    -0.01  -0.01   0.01
   121   1     0.05   0.04  -0.03     0.02   0.01  -0.01    -0.01  -0.01   0.01
   122   1     0.06  -0.02  -0.01     0.02  -0.01  -0.00    -0.01   0.00   0.00
   123   1     0.00  -0.02   0.01     0.00  -0.01   0.00    -0.00   0.00  -0.00
   124   1    -0.03  -0.02   0.02    -0.01  -0.01   0.01     0.01   0.00  -0.00
   125   1     0.01  -0.00   0.00    -0.03   0.02  -0.02    -0.02   0.01  -0.01
   126   1    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.00   0.01  -0.01
   127   1    -0.01  -0.00   0.00     0.03   0.00  -0.00     0.03   0.00  -0.00
   128   1    -0.01   0.00  -0.01     0.03  -0.03   0.03     0.02  -0.02   0.02
   129   1    -0.00   0.01  -0.01     0.02  -0.04   0.04     0.01  -0.03   0.02
   130   1     0.01   0.01  -0.01    -0.04  -0.03   0.03    -0.02  -0.02   0.02
   131   1     0.00  -0.00   0.00    -0.01   0.01  -0.00    -0.01   0.00  -0.00
   132   1     0.00  -0.01   0.00    -0.01   0.02  -0.02    -0.00   0.02  -0.02
   133   1    -0.08  -0.04  -0.21    -0.01  -0.01  -0.03    -0.20  -0.11  -0.51
   134   1     0.09   0.07   0.26     0.01   0.00   0.02     0.21   0.13   0.55
   135   1     0.02   0.02  -0.01     0.00   0.00  -0.00     0.05   0.06  -0.03
   136   1     0.08  -0.02   0.03     0.01  -0.00   0.00     0.19  -0.05   0.08
   137   1    -0.05   0.04  -0.04    -0.01   0.01  -0.01    -0.13   0.11  -0.10
   138   1     0.04  -0.26  -0.04    -0.00   0.04   0.01     0.01  -0.06  -0.01
   139   1    -0.03   0.22   0.05     0.00  -0.03  -0.01    -0.01   0.04   0.01
   140   1     0.00  -0.04  -0.08     0.00   0.01   0.01    -0.00  -0.01  -0.02
   141   1    -0.04  -0.01  -0.01     0.00   0.00   0.00    -0.01  -0.00  -0.00
   142   1    -0.04   0.04   0.07     0.00  -0.01  -0.01    -0.01   0.01   0.01
   143  17     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
                    283                    284                    285
                      A                      A                      A
 Frequencies --   1314.6116              1320.0768              1323.4221
 Red. masses --      3.4893                 2.9533                 1.9078
 Frc consts  --      3.5529                 3.0321                 1.9687
 IR Inten    --     19.1133               155.8937                14.4430
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.01    -0.02   0.01   0.00     0.00   0.03  -0.00
     2   6     0.01   0.01  -0.00     0.00  -0.00  -0.00     0.01  -0.02   0.00
     3   6     0.02  -0.00  -0.00    -0.03  -0.02   0.00    -0.01  -0.01   0.00
     4   6    -0.04   0.04  -0.01     0.03  -0.02   0.01    -0.01   0.05  -0.01
     5   6    -0.01   0.02  -0.00     0.02  -0.01   0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.02   0.00    -0.00   0.01  -0.00    -0.03  -0.01   0.00
     7   6     0.09  -0.01   0.03    -0.03   0.02  -0.01     0.04  -0.01   0.01
     8   6    -0.01   0.08   0.01     0.03   0.00   0.01    -0.00   0.06   0.01
     9   6    -0.03  -0.00  -0.01    -0.04  -0.04   0.01    -0.04   0.00  -0.01
    10   6     0.01  -0.06   0.02    -0.01   0.05  -0.02     0.02  -0.05   0.01
    11   6    -0.04  -0.09  -0.02     0.01   0.00   0.00    -0.02  -0.03  -0.01
    12   6    -0.12   0.12  -0.04    -0.02  -0.00  -0.01    -0.00   0.04   0.00
    13   6     0.03  -0.04   0.01    -0.02  -0.01  -0.01     0.04  -0.02   0.01
    14   6     0.01  -0.06  -0.01     0.02   0.01   0.01    -0.02  -0.02  -0.01
    15   7     0.00   0.02  -0.01     0.06   0.00  -0.02     0.03   0.00  -0.01
    16   6     0.04  -0.05   0.01    -0.07   0.03  -0.00    -0.02  -0.01   0.01
    17   6     0.03  -0.05   0.02    -0.05   0.04  -0.01     0.00   0.00  -0.00
    18   7    -0.01   0.05  -0.02     0.03  -0.03   0.01     0.01   0.01  -0.01
    19   6    -0.01   0.04  -0.01     0.02  -0.02   0.01    -0.00   0.00  -0.00
    20   6     0.00   0.01  -0.00    -0.01  -0.01   0.01     0.00  -0.00  -0.00
    21   6    -0.05  -0.01   0.01     0.02  -0.00   0.00    -0.01  -0.01   0.00
    22   6    -0.02   0.01  -0.00     0.02   0.00  -0.01    -0.01   0.00  -0.00
    23   6    -0.03  -0.02  -0.02    -0.01  -0.04  -0.02     0.03   0.01   0.01
    24   6    -0.05   0.18   0.16    -0.02   0.06   0.05    -0.01  -0.01  -0.00
    25   6     0.04   0.03  -0.01     0.00  -0.09  -0.02     0.01  -0.00  -0.01
    26   6     0.00  -0.06  -0.05    -0.01  -0.03  -0.03     0.02   0.04   0.03
    27   6     0.09  -0.04  -0.03     0.04  -0.02  -0.01    -0.02   0.02   0.02
    28   6    -0.06   0.09   0.07    -0.04   0.05   0.04     0.07  -0.10  -0.08
    29   6    -0.05  -0.07  -0.06    -0.02  -0.03  -0.03    -0.00   0.02   0.02
    30   6     0.11  -0.03  -0.03     0.05  -0.01  -0.01    -0.06   0.01   0.01
    31   6    -0.00   0.02   0.01     0.00   0.01   0.01    -0.01   0.01   0.00
    32   6     0.02  -0.00   0.01     0.02   0.01   0.01    -0.00   0.01   0.00
    33   6    -0.02  -0.02  -0.02    -0.02  -0.02  -0.01    -0.03  -0.03  -0.03
    34   6     0.00   0.02   0.01    -0.01   0.02   0.00     0.00  -0.00  -0.00
    35   6     0.02   0.00   0.01     0.02   0.00   0.01     0.02  -0.01   0.01
    36   6     0.02  -0.01  -0.01    -0.05   0.03   0.03    -0.00   0.00   0.00
    37   6    -0.01  -0.00   0.01     0.02   0.05  -0.00    -0.00   0.01   0.00
    38   6    -0.00   0.02   0.01     0.02  -0.11  -0.03     0.00  -0.01  -0.00
    39   6     0.00  -0.02  -0.00    -0.04   0.03   0.02    -0.00  -0.00   0.00
    40   6    -0.00  -0.01  -0.00     0.03   0.05  -0.00     0.00   0.01  -0.00
    41   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
    42   7    -0.01   0.01  -0.01    -0.00   0.02  -0.01     0.01  -0.04   0.02
    43   7    -0.00   0.00  -0.00     0.01  -0.01   0.02     0.00  -0.00   0.00
    44   6     0.01  -0.03   0.01     0.01  -0.02   0.01    -0.02   0.06  -0.02
    45   6     0.00   0.01   0.00     0.00   0.01   0.00    -0.02  -0.02  -0.00
    46   6    -0.01   0.00  -0.00    -0.01   0.00  -0.00     0.02  -0.00   0.01
    47   6     0.01  -0.03   0.01     0.01  -0.02   0.01    -0.02   0.06  -0.02
    48   6     0.01   0.01  -0.00     0.01   0.01  -0.00     0.02   0.02  -0.01
    49   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    50   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
    51   6     0.01   0.01  -0.00     0.01   0.01  -0.00     0.01   0.02  -0.01
    52   6     0.00  -0.00   0.00    -0.02   0.02  -0.02    -0.00   0.00  -0.00
    53   6     0.00   0.00  -0.00    -0.01  -0.01   0.01    -0.00  -0.00   0.00
    54   6    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
    55   6     0.00  -0.01   0.01    -0.02   0.03  -0.02    -0.00   0.00  -0.00
    56   6    -0.01   0.01  -0.00    -0.00   0.01  -0.00     0.01  -0.01   0.01
    57   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.00
    58   6     0.01   0.01   0.00     0.00   0.01   0.00    -0.01  -0.02   0.00
    59   6     0.01  -0.00   0.00     0.01  -0.00   0.00    -0.02   0.01  -0.01
    60   6    -0.01  -0.00  -0.00    -0.00  -0.01  -0.00     0.01   0.03   0.00
    61   6    -0.01   0.00  -0.00    -0.01   0.00  -0.00     0.02  -0.01   0.01
    62   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
    63   6    -0.00   0.01  -0.00    -0.00   0.01  -0.00     0.00  -0.02   0.00
    64   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    65   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    66   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01  -0.00   0.00
    67   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    68   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01   0.00  -0.00
    69   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    70   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    71   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    72   6    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
    73   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    74   6     0.00   0.00  -0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    75   6     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    76   6    -0.00  -0.00   0.00     0.01   0.01  -0.01     0.00   0.00  -0.00
    77   6    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    78   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    79   6    -0.00   0.00  -0.00     0.00  -0.01   0.01     0.00  -0.00   0.00
    80   8    -0.02  -0.00   0.01     0.15   0.02  -0.07     0.04   0.00  -0.02
    81  15     0.01  -0.00  -0.00    -0.10  -0.01   0.04    -0.03  -0.00   0.01
    82   8     0.00   0.01  -0.00     0.01  -0.02   0.01     0.00  -0.00   0.00
    83   8     0.00   0.00   0.00    -0.00  -0.01  -0.02     0.00  -0.00  -0.01
    84   6     0.00   0.00  -0.00    -0.02  -0.01  -0.01    -0.01  -0.00  -0.00
    85   6    -0.01  -0.01   0.01     0.03   0.04  -0.02     0.01   0.01  -0.00
    86   6     0.00  -0.00  -0.00    -0.01   0.02   0.01    -0.00   0.01   0.00
    87   6    -0.00  -0.00  -0.00     0.03   0.00   0.01     0.01   0.00   0.00
    88   1    -0.05   0.18   0.00     0.02  -0.04   0.00     0.00  -0.00   0.01
    89   1     0.03  -0.13   0.02     0.00   0.04  -0.01     0.03  -0.10   0.01
    90   1     0.14  -0.05  -0.00    -0.00   0.01  -0.00     0.10  -0.04   0.00
    91   1    -0.16  -0.26  -0.11     0.01  -0.00   0.01    -0.02  -0.03  -0.01
    92   1     0.23  -0.08   0.07     0.05  -0.02   0.01    -0.06  -0.01  -0.00
    93   1     0.12   0.08   0.08    -0.00  -0.04  -0.00    -0.05  -0.07  -0.03
    94   1    -0.22   0.08   0.03     0.23  -0.06  -0.04     0.02   0.00  -0.01
    95   1    -0.01  -0.00  -0.00     0.05   0.06  -0.03     0.02   0.01  -0.01
    96   1     0.24  -0.02  -0.04    -0.16   0.03   0.03     0.02   0.00  -0.00
    97   1    -0.18  -0.30  -0.25    -0.01  -0.04  -0.03    -0.17  -0.20  -0.17
    98   1    -0.16  -0.04  -0.04     0.03  -0.02  -0.01    -0.34   0.03   0.01
    99   1     0.01  -0.01  -0.00    -0.03  -0.05  -0.04     0.17   0.25   0.21
   100   1     0.26  -0.03  -0.03     0.00  -0.01  -0.01     0.35   0.00   0.01
   101   1    -0.01   0.03   0.02    -0.01   0.04   0.01     0.06  -0.15  -0.04
   102   1     0.02  -0.00   0.01    -0.01   0.01   0.00     0.15  -0.03   0.05
   103   1     0.01   0.01   0.01    -0.01   0.02   0.01    -0.07   0.17   0.04
   104   1     0.04  -0.00   0.02     0.01   0.00   0.00    -0.19   0.05  -0.06
   105   1    -0.07   0.01   0.03     0.05   0.01  -0.02    -0.01   0.00   0.01
   106   1    -0.06  -0.06   0.02     0.08   0.11  -0.02    -0.01   0.00   0.00
   107   1    -0.01  -0.02   0.00    -0.09   0.05   0.04    -0.02   0.00   0.01
   108   1    -0.02  -0.03   0.00    -0.02   0.00   0.01    -0.01  -0.01   0.00
   109   1     0.03  -0.05   0.02     0.03  -0.04   0.02    -0.08   0.12  -0.06
   110   1    -0.01  -0.03  -0.00    -0.01  -0.03  -0.00     0.04   0.09  -0.00
   111   1    -0.08   0.00  -0.04    -0.06  -0.00  -0.03     0.17   0.00   0.08
   112   1    -0.04   0.08  -0.04    -0.04   0.07  -0.03     0.10  -0.18   0.08
   113   1    -0.00   0.09  -0.03    -0.00   0.08  -0.02     0.01  -0.21   0.05
   114   1     0.05   0.05   0.02     0.05   0.05   0.01    -0.13  -0.12  -0.04
   115   1     0.02  -0.01   0.01     0.02  -0.01   0.01    -0.08   0.04  -0.04
   116   1    -0.00  -0.06   0.01     0.00  -0.05   0.01    -0.00   0.15  -0.03
   117   1     0.01   0.02  -0.01     0.01   0.02  -0.01     0.02   0.05  -0.02
   118   1     0.01   0.00  -0.00     0.01   0.00  -0.00     0.04   0.00  -0.01
   119   1     0.01  -0.02   0.00     0.01  -0.02   0.00     0.03  -0.06   0.01
   120   1    -0.01  -0.03   0.01    -0.01  -0.02   0.01    -0.03  -0.07   0.03
   121   1    -0.02  -0.02   0.01    -0.02  -0.02   0.01    -0.06  -0.04   0.03
   122   1    -0.02   0.01   0.00    -0.02   0.01   0.00    -0.07   0.03   0.01
   123   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.00   0.04  -0.01
   124   1     0.02   0.01  -0.01     0.02   0.01  -0.01     0.05   0.03  -0.02
   125   1     0.01  -0.01   0.01    -0.05   0.04  -0.04    -0.00   0.00  -0.00
   126   1    -0.00  -0.01   0.01     0.01   0.03  -0.03     0.00   0.00  -0.00
   127   1    -0.02  -0.00   0.00     0.10   0.00  -0.01     0.01   0.00  -0.00
   128   1    -0.02   0.02  -0.01     0.08  -0.07   0.06     0.01  -0.01   0.00
   129   1    -0.01   0.02  -0.02     0.03  -0.08   0.08     0.00  -0.01   0.01
   130   1     0.01   0.01  -0.01    -0.07  -0.05   0.05    -0.01  -0.00   0.00
   131   1     0.01  -0.00   0.00    -0.05   0.02  -0.01    -0.00   0.00  -0.00
   132   1     0.00  -0.01   0.01    -0.01   0.06  -0.05    -0.00   0.01  -0.00
   133   1    -0.05  -0.03  -0.13     0.17   0.11   0.47     0.03   0.02   0.10
   134   1     0.04   0.02   0.11    -0.13  -0.04  -0.29    -0.02  -0.00  -0.05
   135   1     0.01   0.01  -0.01    -0.03  -0.05   0.03    -0.00  -0.01   0.01
   136   1     0.04  -0.01   0.02    -0.12   0.04  -0.05    -0.02   0.01  -0.01
   137   1    -0.03   0.02  -0.02     0.10  -0.09   0.09     0.02  -0.02   0.02
   138   1    -0.01   0.06   0.01     0.04  -0.37  -0.05     0.01  -0.09  -0.01
   139   1     0.00  -0.01  -0.01    -0.02   0.16   0.06    -0.00   0.03   0.01
   140   1     0.00   0.01   0.02    -0.00  -0.06  -0.11    -0.00  -0.01  -0.02
   141   1     0.01   0.00   0.01    -0.04  -0.01  -0.02    -0.01  -0.00  -0.01
   142   1     0.00  -0.00  -0.01    -0.03   0.03   0.07    -0.01   0.01   0.01
   143  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
                    286                    287                    288
                      A                      A                      A
 Frequencies --   1324.3117              1325.4964              1329.2470
 Red. masses --      1.6829                 1.6835                 2.3394
 Frc consts  --      1.7389                 1.7427                 2.4354
 IR Inten    --      3.5934                49.3140                42.7620
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.01    -0.01   0.00   0.00     0.02  -0.01   0.01
     2   6     0.00  -0.03   0.00     0.01  -0.00   0.00    -0.02   0.02  -0.00
     3   6    -0.03   0.01  -0.00    -0.01  -0.01   0.00    -0.01   0.01  -0.00
     4   6     0.02   0.01  -0.00    -0.00   0.02  -0.00     0.05  -0.12   0.02
     5   6     0.01  -0.02   0.00    -0.00   0.01  -0.00     0.02  -0.04   0.01
     6   6    -0.02   0.00   0.00    -0.01  -0.00   0.00     0.03   0.03  -0.01
     7   6    -0.02  -0.00  -0.01    -0.00   0.00  -0.00    -0.03   0.03  -0.01
     8   6     0.01  -0.02  -0.00     0.01   0.01   0.01     0.00  -0.08  -0.01
     9   6     0.01  -0.00   0.00    -0.03  -0.00  -0.00     0.06  -0.04   0.03
    10   6    -0.00   0.01  -0.00     0.01  -0.01   0.00    -0.05   0.14  -0.05
    11   6     0.01   0.01   0.00    -0.00   0.00   0.00     0.02   0.01   0.01
    12   6     0.02  -0.01   0.01     0.00   0.00   0.00    -0.04  -0.02  -0.02
    13   6    -0.01   0.00  -0.00     0.00  -0.00  -0.00    -0.04   0.01  -0.01
    14   6    -0.00   0.01   0.00     0.00   0.00   0.00     0.02   0.01   0.01
    15   7    -0.00   0.00   0.00     0.04  -0.00  -0.01    -0.05   0.00   0.01
    16   6     0.01  -0.01   0.00    -0.04  -0.00   0.01     0.02   0.04  -0.02
    17   6     0.00   0.00  -0.00    -0.00   0.04  -0.02    -0.04  -0.00   0.01
    18   7    -0.01  -0.00   0.00     0.01  -0.01   0.00    -0.01  -0.04   0.02
    19   6    -0.01   0.00   0.00    -0.01  -0.01   0.01     0.01  -0.02   0.01
    20   6     0.00   0.01  -0.00     0.01   0.01  -0.00    -0.01   0.00   0.00
    21   6     0.01  -0.01   0.00     0.01  -0.04   0.02     0.04   0.02  -0.01
    22   6    -0.00   0.00  -0.00    -0.02   0.00   0.00     0.02  -0.00  -0.01
    23   6     0.00   0.01   0.01     0.01  -0.01   0.00    -0.07  -0.05  -0.05
    24   6    -0.00  -0.01  -0.01    -0.01   0.00   0.00    -0.00   0.06   0.05
    25   6    -0.00  -0.00   0.00     0.01  -0.02  -0.01    -0.02  -0.05   0.00
    26   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00     0.01   0.00   0.00
    27   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.03  -0.00  -0.00
    28   6    -0.02   0.03   0.03    -0.00   0.00   0.00     0.02  -0.02  -0.03
    29   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.03  -0.01  -0.01
    30   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    31   6    -0.02   0.05   0.02     0.00  -0.02  -0.01    -0.00   0.03   0.01
    32   6     0.02   0.01   0.01    -0.01  -0.00  -0.00     0.04  -0.01   0.01
    33   6    -0.08  -0.09  -0.08     0.02   0.02   0.02    -0.03  -0.03  -0.02
    34   6     0.01   0.02   0.01    -0.01  -0.01  -0.01    -0.00   0.04   0.02
    35   6     0.05  -0.01   0.02    -0.01   0.00  -0.01     0.02   0.01   0.01
    36   6     0.01  -0.01  -0.01     0.04  -0.01  -0.02    -0.01   0.01   0.01
    37   6     0.00  -0.01  -0.00     0.01  -0.01  -0.01     0.02   0.01  -0.01
    38   6    -0.01   0.04   0.01    -0.03   0.12   0.04    -0.00   0.01   0.01
    39   6     0.00  -0.01  -0.00    -0.00  -0.02  -0.00    -0.01   0.01   0.01
    40   6    -0.01  -0.01   0.00    -0.03  -0.04   0.00    -0.01  -0.00   0.00
    41   7    -0.03  -0.04   0.03     0.01   0.01  -0.01    -0.00  -0.01   0.00
    42   7    -0.00   0.02  -0.01     0.00   0.00  -0.00     0.00  -0.03   0.01
    43   7    -0.01   0.01  -0.01    -0.02   0.03  -0.04    -0.00   0.01  -0.01
    44   6     0.01  -0.02   0.01     0.00  -0.00   0.00    -0.01   0.04  -0.01
    45   6     0.01   0.01   0.00     0.00   0.00  -0.00    -0.01  -0.01  -0.00
    46   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.00   0.01
    47   6     0.01  -0.02   0.01     0.00  -0.00   0.00    -0.01   0.03  -0.01
    48   6     0.04   0.04  -0.03    -0.01  -0.01   0.01     0.01   0.01  -0.00
    49   6    -0.03   0.01   0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    50   6     0.01  -0.02   0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    51   6     0.04   0.05  -0.03    -0.01  -0.01   0.01     0.01   0.01  -0.01
    52   6     0.01  -0.01   0.01     0.03  -0.05   0.04     0.00  -0.01   0.01
    53   6     0.00   0.00  -0.00     0.02   0.02  -0.01     0.00   0.00  -0.00
    54   6    -0.01  -0.00   0.00    -0.03  -0.00   0.00    -0.01  -0.00   0.00
    55   6     0.01  -0.01   0.01     0.03  -0.04   0.04     0.01  -0.01   0.01
    56   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    57   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.00
    58   6     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
    59   6     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.01
    60   6    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.01   0.02  -0.00
    61   6    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
    62   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
    63   6    -0.00   0.01  -0.00     0.00   0.00  -0.00     0.00  -0.01   0.00
    64   6    -0.01  -0.01   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    65   6    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    66   6    -0.02  -0.00   0.01     0.01   0.00  -0.00    -0.01   0.00   0.00
    67   6    -0.00   0.03  -0.01     0.00  -0.01   0.00    -0.00   0.01  -0.00
    68   6     0.03   0.00  -0.01    -0.01  -0.00   0.00     0.01   0.00  -0.00
    69   6     0.00  -0.02   0.01    -0.00   0.01  -0.00     0.00  -0.00   0.00
    70   6     0.01  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    71   6    -0.01  -0.01   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    72   6    -0.00   0.00  -0.00    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    73   6     0.00   0.00  -0.00     0.01   0.01  -0.01     0.00   0.00  -0.00
    74   6     0.00   0.00  -0.00     0.01   0.02  -0.02     0.00   0.00  -0.00
    75   6     0.01  -0.00   0.00     0.03  -0.01   0.01     0.01  -0.00   0.00
    76   6    -0.00  -0.01   0.01    -0.01  -0.02   0.02    -0.00  -0.01   0.01
    77   6    -0.01   0.00  -0.00    -0.02   0.01  -0.01    -0.01   0.00  -0.00
    78   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    79   6    -0.00   0.00  -0.00    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    80   8    -0.01  -0.00   0.00     0.05   0.00  -0.02    -0.03  -0.00   0.01
    81  15     0.00   0.00  -0.00    -0.03  -0.00   0.01     0.02   0.00  -0.01
    82   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    83   8    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
    84   6     0.00   0.00   0.00    -0.01  -0.00  -0.00     0.01  -0.00   0.00
    85   6    -0.00  -0.00   0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
    86   6     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    87   6    -0.00  -0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    88   1     0.02  -0.06   0.01    -0.00   0.02  -0.00     0.03  -0.12   0.01
    89   1    -0.01   0.03  -0.01     0.02  -0.06   0.01    -0.10   0.34  -0.05
    90   1    -0.06   0.01   0.01     0.08  -0.02  -0.00    -0.34   0.11   0.01
    91   1     0.01   0.02   0.01     0.01   0.01   0.00    -0.03  -0.06  -0.00
    92   1    -0.01   0.01  -0.01    -0.03  -0.00  -0.01     0.21  -0.02   0.06
    93   1    -0.01   0.00  -0.00    -0.03  -0.04  -0.02     0.13   0.17   0.08
    94   1    -0.02   0.00   0.00     0.18  -0.04  -0.03    -0.03  -0.01   0.01
    95   1     0.00   0.00  -0.00     0.06   0.07  -0.05    -0.02  -0.01   0.01
    96   1    -0.01   0.00  -0.00    -0.15   0.02   0.02    -0.04   0.01   0.00
    97   1     0.08   0.10   0.09     0.00  -0.00   0.00    -0.16  -0.20  -0.18
    98   1     0.15  -0.01   0.00     0.00  -0.00   0.00    -0.28   0.00  -0.01
    99   1    -0.06  -0.09  -0.08     0.00   0.00   0.00     0.09   0.14   0.12
   100   1    -0.13  -0.00  -0.00     0.01  -0.00  -0.00     0.21  -0.00  -0.00
   101   1     0.15  -0.31  -0.09    -0.04   0.09   0.02    -0.02   0.09   0.02
   102   1     0.34  -0.07   0.10    -0.10   0.02  -0.03    -0.05   0.02  -0.02
   103   1    -0.12   0.33   0.10     0.02  -0.08  -0.02     0.06  -0.08  -0.02
   104   1    -0.31   0.09  -0.09     0.06  -0.02   0.02     0.16  -0.03   0.05
   105   1    -0.08   0.01   0.04    -0.33   0.06   0.16    -0.08   0.02   0.04
   106   1    -0.06  -0.08   0.01    -0.23  -0.29   0.06    -0.05  -0.07   0.01
   107   1     0.10  -0.03  -0.05     0.31  -0.09  -0.15     0.15  -0.02  -0.07
   108   1     0.07   0.08  -0.02     0.25   0.26  -0.05     0.12   0.14  -0.03
   109   1     0.03  -0.04   0.02     0.00  -0.00   0.00    -0.04   0.07  -0.03
   110   1    -0.01  -0.03   0.00    -0.00  -0.00  -0.00     0.02   0.06  -0.00
   111   1    -0.06  -0.00  -0.03    -0.00  -0.00  -0.00     0.09   0.00   0.04
   112   1    -0.04   0.06  -0.03    -0.00   0.01  -0.00     0.05  -0.10   0.04
   113   1    -0.00   0.08  -0.02    -0.00   0.01  -0.00     0.01  -0.12   0.03
   114   1     0.05   0.05   0.01     0.00   0.00   0.00    -0.08  -0.07  -0.02
   115   1     0.03  -0.02   0.02     0.00  -0.00   0.00    -0.05   0.03  -0.03
   116   1     0.00  -0.05   0.01     0.00  -0.00   0.00    -0.00   0.09  -0.02
   117   1     0.06   0.13  -0.06    -0.02  -0.04   0.02     0.01   0.02  -0.01
   118   1     0.10   0.01  -0.03    -0.03  -0.00   0.01     0.02   0.00  -0.01
   119   1     0.09  -0.16   0.03    -0.03   0.05  -0.01     0.02  -0.04   0.01
   120   1    -0.09  -0.18   0.09     0.03   0.05  -0.03    -0.02  -0.04   0.02
   121   1    -0.17  -0.12   0.09     0.05   0.03  -0.02    -0.03  -0.02   0.02
   122   1    -0.18   0.07   0.02     0.05  -0.02  -0.01    -0.03   0.01   0.00
   123   1    -0.01   0.10  -0.03     0.00  -0.03   0.01    -0.00   0.02  -0.01
   124   1     0.12   0.07  -0.06    -0.04  -0.02   0.02     0.02   0.01  -0.01
   125   1     0.03  -0.02   0.02     0.10  -0.09   0.07     0.03  -0.02   0.02
   126   1    -0.01  -0.02   0.02    -0.03  -0.07   0.07    -0.01  -0.02   0.02
   127   1    -0.05  -0.00   0.01    -0.19  -0.01   0.02    -0.04  -0.00   0.00
   128   1    -0.04   0.04  -0.03    -0.14   0.13  -0.11    -0.03   0.03  -0.02
   129   1    -0.02   0.05  -0.04    -0.05   0.16  -0.14    -0.01   0.04  -0.04
   130   1     0.04   0.03  -0.03     0.13   0.10  -0.10     0.03   0.03  -0.03
   131   1     0.03  -0.01   0.01     0.10  -0.03   0.02     0.03  -0.01   0.01
   132   1     0.01  -0.03   0.03     0.03  -0.11   0.10     0.01  -0.03   0.03
   133   1    -0.01  -0.00  -0.02     0.03   0.02   0.10    -0.02  -0.02  -0.06
   134   1     0.00   0.00   0.01    -0.02  -0.00  -0.03     0.01  -0.00   0.01
   135   1     0.00   0.00  -0.00    -0.00  -0.01   0.01     0.00   0.01  -0.00
   136   1     0.00  -0.00   0.00    -0.02   0.01  -0.01     0.01  -0.00   0.00
   137   1    -0.00   0.00  -0.00     0.02  -0.02   0.02    -0.01   0.01  -0.01
   138   1    -0.00   0.02   0.00     0.01  -0.10  -0.01    -0.01   0.06   0.01
   139   1     0.00  -0.01  -0.00    -0.00   0.03   0.01     0.00  -0.01  -0.01
   140   1     0.00   0.00   0.00    -0.00  -0.02  -0.03     0.00   0.01   0.02
   141   1     0.00   0.00   0.00    -0.01  -0.00  -0.01     0.01   0.00   0.01
   142   1     0.00  -0.00  -0.00    -0.01   0.01   0.01     0.00  -0.00  -0.01
   143  17     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
                    289                    290                    291
                      A                      A                      A
 Frequencies --   1334.1892              1343.4069              1345.3140
 Red. masses --      2.4230                 3.0317                 2.0198
 Frc consts  --      2.5412                 3.2237                 2.1538
 IR Inten    --      4.3943                11.8916                 3.7967
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.07   0.01    -0.04  -0.03   0.00    -0.04  -0.01   0.00
     2   6     0.02   0.03  -0.00    -0.02   0.03  -0.00    -0.00   0.02  -0.00
     3   6    -0.00   0.08  -0.01     0.05  -0.01   0.00     0.02  -0.03   0.00
     4   6    -0.09   0.01  -0.00     0.01  -0.05   0.01    -0.02  -0.03   0.00
     5   6    -0.04   0.01  -0.00    -0.00   0.02  -0.00     0.01   0.02  -0.00
     6   6     0.05  -0.03   0.00     0.03   0.01  -0.00     0.02   0.00  -0.00
     7   6     0.09  -0.02   0.03    -0.10   0.02  -0.04     0.01   0.03   0.00
     8   6    -0.01  -0.08  -0.01     0.03  -0.07   0.00    -0.00   0.00  -0.00
     9   6    -0.02   0.08  -0.03     0.01   0.01  -0.00     0.00  -0.00   0.00
    10   6     0.03  -0.07   0.03    -0.04   0.04  -0.01    -0.00   0.01  -0.00
    11   6    -0.03  -0.00  -0.01     0.04   0.05   0.02     0.00   0.00   0.00
    12   6    -0.07   0.02  -0.01     0.06  -0.08   0.00    -0.03  -0.00  -0.01
    13   6    -0.02   0.01  -0.00    -0.05   0.02  -0.01    -0.01  -0.00  -0.00
    14   6    -0.01   0.00  -0.01     0.03   0.06   0.02     0.01  -0.01   0.00
    15   7     0.03  -0.03   0.00     0.00  -0.01   0.00    -0.00  -0.00   0.00
    16   6    -0.04   0.00   0.01    -0.01  -0.02   0.01    -0.00   0.01  -0.01
    17   6     0.03   0.06  -0.03     0.09   0.02  -0.03    -0.00  -0.00   0.00
    18   7     0.03  -0.00  -0.00    -0.03   0.00   0.00     0.00  -0.00   0.00
    19   6    -0.01   0.00   0.00    -0.03   0.05  -0.01     0.01  -0.00  -0.00
    20   6    -0.00  -0.01   0.00    -0.02  -0.00   0.01    -0.01  -0.01   0.00
    21   6    -0.02  -0.04   0.02    -0.07  -0.12   0.06    -0.01   0.01  -0.00
    22   6    -0.02  -0.01   0.01    -0.01   0.01   0.00     0.01  -0.00  -0.00
    23   6    -0.10   0.02  -0.03     0.04   0.03   0.03     0.03   0.02   0.02
    24   6     0.08  -0.03  -0.02    -0.07   0.06   0.04     0.03  -0.00  -0.00
    25   6     0.02   0.07   0.00     0.04   0.16  -0.00     0.00  -0.01  -0.00
    26   6     0.01   0.03   0.02    -0.02  -0.04  -0.03    -0.00   0.01   0.01
    27   6    -0.04  -0.01  -0.01     0.06   0.00   0.00    -0.00  -0.00  -0.00
    28   6     0.01  -0.02  -0.01    -0.02   0.03   0.02     0.02   0.01   0.01
    29   6     0.00   0.03   0.03    -0.03  -0.05  -0.04     0.00   0.01   0.01
    30   6    -0.01   0.01   0.01     0.03  -0.01  -0.00     0.00  -0.00  -0.00
    31   6    -0.01   0.04   0.01     0.01  -0.02  -0.01     0.00  -0.02  -0.01
    32   6     0.03  -0.02   0.00    -0.03   0.01  -0.01    -0.02   0.01  -0.00
    33   6    -0.02  -0.02  -0.01     0.01   0.02   0.01     0.02   0.00   0.01
    34   6     0.02   0.03   0.02     0.01  -0.03  -0.01     0.01  -0.03  -0.01
    35   6    -0.01   0.01   0.00    -0.02   0.00  -0.01    -0.01   0.00  -0.00
    36   6     0.02  -0.01  -0.01     0.06  -0.03  -0.03    -0.00   0.00   0.00
    37   6    -0.03  -0.02   0.01    -0.07  -0.05   0.02     0.00   0.01  -0.00
    38   6    -0.00   0.02   0.00    -0.01   0.05   0.01     0.00  -0.00  -0.00
    39   6     0.02  -0.02  -0.01     0.07  -0.05  -0.04    -0.00   0.00   0.00
    40   6     0.00  -0.01  -0.00    -0.00  -0.02  -0.00     0.00   0.00  -0.00
    41   7    -0.00  -0.01   0.00    -0.01  -0.01   0.00    -0.02   0.01   0.00
    42   7    -0.00  -0.01  -0.00     0.01  -0.02   0.01    -0.02  -0.01  -0.01
    43   7    -0.00   0.00   0.00    -0.02  -0.00   0.01    -0.01   0.00  -0.00
    44   6    -0.00   0.01  -0.00     0.00   0.01  -0.00    -0.03   0.04  -0.02
    45   6     0.00  -0.00   0.00    -0.02  -0.00  -0.01     0.04  -0.10   0.04
    46   6     0.00   0.00   0.00     0.02  -0.01   0.01    -0.01   0.11  -0.03
    47   6    -0.00   0.00  -0.00    -0.01   0.02  -0.01    -0.00  -0.05   0.01
    48   6     0.00   0.01  -0.00     0.01   0.00  -0.00     0.02   0.03  -0.01
    49   6    -0.00   0.01  -0.00    -0.01   0.00   0.00    -0.04  -0.05   0.03
    50   6    -0.00  -0.01   0.00     0.01  -0.00  -0.00     0.06   0.04  -0.03
    51   6     0.01   0.02  -0.01     0.00   0.01  -0.00    -0.03  -0.01   0.01
    52   6     0.00   0.00  -0.00    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    53   6     0.00  -0.00   0.00     0.02  -0.02   0.02     0.01  -0.01   0.01
    54   6     0.00   0.00  -0.00    -0.01   0.02  -0.02    -0.01   0.01  -0.01
    55   6     0.00  -0.00   0.00     0.01  -0.02   0.01     0.00  -0.01   0.01
    56   6    -0.00  -0.00   0.00     0.00  -0.01   0.00    -0.04   0.06  -0.03
    57   6     0.00  -0.00   0.00    -0.01  -0.01  -0.00     0.03  -0.02   0.02
    58   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.00     0.04   0.02   0.01
    59   6    -0.00  -0.00  -0.00    -0.01   0.01  -0.01    -0.00  -0.02   0.00
    60   6     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.01   0.02  -0.01
    61   6     0.00  -0.00   0.00    -0.00  -0.01   0.00     0.04   0.01   0.02
    62   6     0.00   0.00   0.00     0.01  -0.01   0.01     0.01   0.04  -0.00
    63   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.08   0.01
    64   6    -0.00  -0.01   0.00    -0.00   0.00  -0.00     0.02   0.05  -0.02
    65   6    -0.00   0.00   0.00    -0.01  -0.00   0.00    -0.00  -0.03   0.01
    66   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.02  -0.02  -0.00
    67   6     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.01  -0.00   0.00
    68   6     0.00  -0.00  -0.00     0.01   0.00  -0.00     0.01   0.02  -0.01
    69   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02  -0.02   0.00
    70   6    -0.00  -0.00   0.00     0.00  -0.01   0.00     0.03  -0.00  -0.01
    71   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.04  -0.03   0.02
    72   6    -0.00   0.00  -0.00    -0.02   0.01  -0.01    -0.01   0.01  -0.00
    73   6     0.00  -0.00   0.00     0.01  -0.00   0.00     0.01  -0.00  -0.00
    74   6     0.00   0.00  -0.00     0.01   0.01  -0.01     0.00   0.00  -0.00
    75   6     0.00  -0.00   0.00     0.00  -0.01   0.01     0.00  -0.00   0.00
    76   6    -0.00   0.00  -0.00    -0.01   0.01  -0.01    -0.00  -0.00   0.00
    77   6    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    78   6     0.00   0.00  -0.00     0.00   0.01  -0.01    -0.00   0.00  -0.00
    79   6    -0.00  -0.00   0.00     0.00  -0.01   0.01     0.00  -0.01   0.01
    80   8     0.03   0.00  -0.01     0.01   0.00  -0.00     0.00   0.00  -0.00
    81  15    -0.02  -0.00   0.01    -0.01   0.00   0.00    -0.00   0.00  -0.00
    82   8     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    83   8     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    84   6    -0.01   0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    85   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    86   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    87   6     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    88   1     0.08  -0.15   0.02    -0.03   0.06  -0.01    -0.01   0.04  -0.01
    89   1    -0.10   0.17  -0.01     0.01  -0.01   0.00     0.02  -0.00   0.00
    90   1    -0.19   0.01   0.01    -0.02   0.02  -0.00     0.03   0.00  -0.00
    91   1    -0.20  -0.24  -0.10     0.05   0.07   0.04    -0.03  -0.05  -0.02
    92   1     0.15  -0.01   0.04    -0.01   0.02  -0.01     0.06  -0.01   0.02
    93   1     0.29   0.42   0.23    -0.08  -0.09  -0.07     0.04   0.03   0.02
    94   1     0.26  -0.04  -0.05     0.36  -0.01  -0.09     0.01  -0.00  -0.00
    95   1     0.06   0.06  -0.04     0.16   0.22  -0.14     0.00   0.01  -0.00
    96   1    -0.16   0.01   0.03    -0.25   0.03   0.03    -0.01  -0.00   0.00
    97   1     0.02   0.04   0.04    -0.04  -0.06  -0.06    -0.02  -0.01  -0.01
    98   1     0.04  -0.01  -0.01    -0.13   0.01  -0.00    -0.02  -0.00  -0.01
    99   1    -0.10  -0.09  -0.08     0.10   0.12   0.10    -0.04  -0.05  -0.04
   100   1    -0.18   0.02  -0.00     0.16  -0.01  -0.00    -0.09  -0.00  -0.00
   101   1     0.01  -0.01   0.00     0.02  -0.06  -0.02    -0.00  -0.01  -0.01
   102   1     0.04  -0.03   0.00     0.07  -0.02   0.02     0.02  -0.00   0.01
   103   1     0.10  -0.13  -0.02    -0.04   0.09   0.02    -0.04   0.08   0.02
   104   1     0.19  -0.03   0.05    -0.08   0.02  -0.02    -0.08   0.02  -0.02
   105   1     0.05  -0.02  -0.03     0.09  -0.03  -0.05    -0.01   0.00   0.00
   106   1     0.03   0.04  -0.01     0.07   0.11  -0.01    -0.01  -0.01   0.00
   107   1    -0.12   0.01   0.05    -0.31   0.03   0.14     0.00  -0.00  -0.00
   108   1    -0.09  -0.12   0.02    -0.23  -0.27   0.06    -0.00  -0.00   0.00
   109   1    -0.01   0.01  -0.00    -0.04   0.07  -0.03     0.17  -0.26   0.12
   110   1     0.00   0.00   0.00     0.03   0.07  -0.00    -0.08  -0.27   0.02
   111   1     0.01   0.00   0.00     0.08   0.00   0.03    -0.20  -0.02  -0.09
   112   1     0.01  -0.01   0.01     0.05  -0.07   0.03    -0.11   0.14  -0.08
   113   1     0.00  -0.04   0.01     0.00  -0.05   0.01    -0.01  -0.21   0.04
   114   1    -0.02  -0.02  -0.01    -0.03  -0.02  -0.01    -0.18  -0.15  -0.05
   115   1    -0.01   0.01  -0.01    -0.02   0.01  -0.01    -0.22   0.16  -0.13
   116   1    -0.00   0.02  -0.00     0.00   0.03  -0.01    -0.01   0.35  -0.07
   117   1     0.02   0.03  -0.01     0.01   0.02  -0.01    -0.08  -0.17   0.08
   118   1     0.03   0.00  -0.01     0.02   0.00  -0.00    -0.16  -0.03   0.05
   119   1     0.03  -0.05   0.01     0.01  -0.02   0.00    -0.07   0.11  -0.02
   120   1    -0.02  -0.05   0.03    -0.01  -0.02   0.01     0.03   0.09  -0.04
   121   1    -0.02  -0.02   0.01    -0.03  -0.02   0.01    -0.13  -0.07   0.06
   122   1    -0.02   0.01   0.00    -0.03   0.01   0.00    -0.15   0.07   0.02
   123   1    -0.00   0.01  -0.00    -0.00   0.03  -0.01     0.01   0.20  -0.07
   124   1     0.02   0.01  -0.01     0.03   0.02  -0.01     0.20   0.12  -0.09
   125   1     0.00  -0.00   0.00     0.06  -0.05   0.04     0.04  -0.03   0.03
   126   1    -0.00  -0.00   0.00    -0.01  -0.06   0.05    -0.01  -0.03   0.03
   127   1    -0.01  -0.00   0.00    -0.09  -0.01   0.01    -0.04  -0.00   0.01
   128   1    -0.01   0.00  -0.01    -0.06   0.04  -0.04    -0.03   0.02  -0.02
   129   1     0.00  -0.00   0.00     0.00  -0.04   0.03    -0.00  -0.01   0.01
   130   1    -0.00  -0.00   0.00    -0.04  -0.03   0.03    -0.01  -0.01   0.01
   131   1    -0.00   0.00  -0.00    -0.07   0.03  -0.02    -0.02   0.01  -0.01
   132   1    -0.00   0.00  -0.00    -0.02   0.06  -0.05    -0.01   0.02  -0.02
   133   1     0.02   0.02   0.07     0.01   0.01   0.02     0.00   0.00   0.00
   134   1    -0.00   0.01   0.01     0.00   0.00   0.01    -0.00   0.00  -0.00
   135   1     0.00  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
   136   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
   137   1     0.01  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
   138   1     0.01  -0.07  -0.01     0.00  -0.04  -0.00    -0.00   0.00   0.00
   139   1    -0.00   0.02   0.01     0.00  -0.03   0.00    -0.00   0.00   0.00
   140   1     0.00  -0.01  -0.02    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
   141   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.00   0.00   0.00
   142   1    -0.00   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
   143  17     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
                    292                    293                    294
                      A                      A                      A
 Frequencies --   1345.5116              1345.5368              1346.6090
 Red. masses --      1.9119                 1.9531                 3.7488
 Frc consts  --      2.0393                 2.0834                 4.0052
 IR Inten    --      1.0732                 2.4772                 4.7451
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00     0.01   0.01  -0.00     0.15   0.07  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.01   0.00     0.01  -0.09   0.00
     3   6     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.10   0.08  -0.00
     4   6     0.00  -0.00   0.00     0.01   0.01  -0.00     0.10   0.11  -0.01
     5   6     0.00   0.00  -0.00     0.00  -0.01   0.00    -0.01  -0.11   0.01
     6   6    -0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.07  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.02  -0.00   0.01    -0.04  -0.08  -0.01
     8   6    -0.00   0.00   0.00    -0.01   0.02  -0.00     0.01   0.00   0.00
     9   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01   0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    11   6     0.00  -0.00   0.00    -0.01  -0.01  -0.00    -0.00  -0.00   0.00
    12   6     0.00   0.00   0.00    -0.01   0.02   0.00     0.11   0.02   0.03
    13   6     0.00  -0.00   0.00     0.01  -0.00   0.00     0.04   0.00   0.01
    14   6    -0.00   0.00  -0.00    -0.01  -0.01  -0.00    -0.04   0.03  -0.01
    15   7    -0.00   0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.01
    16   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.01  -0.05   0.02
    17   6    -0.00  -0.00   0.00    -0.01  -0.01   0.01     0.03   0.02  -0.02
    18   7    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.02   0.01   0.00
    19   6     0.00  -0.00   0.00     0.01  -0.01   0.00    -0.04   0.02   0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02   0.02  -0.01
    21   6     0.00   0.00  -0.00     0.01   0.02  -0.01     0.01  -0.06   0.02
    22   6     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.03   0.01   0.00
    23   6     0.01  -0.00   0.00    -0.01  -0.01  -0.01    -0.12  -0.07  -0.07
    24   6    -0.01  -0.00  -0.00     0.01  -0.01  -0.01    -0.09  -0.00  -0.01
    25   6    -0.00  -0.00   0.00    -0.01  -0.02   0.00    -0.01   0.06   0.01
    26   6    -0.00   0.00   0.00     0.01   0.01   0.00    -0.01  -0.02  -0.01
    27   6     0.00   0.00   0.00    -0.01   0.00  -0.00     0.03   0.02   0.02
    28   6     0.01   0.00   0.00    -0.00  -0.01  -0.01     0.01   0.00   0.00
    29   6     0.00   0.00   0.00     0.00   0.01   0.01     0.02  -0.02  -0.02
    30   6    -0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.03  -0.00  -0.01
    31   6     0.01  -0.00   0.00    -0.00   0.01   0.00    -0.03   0.09   0.02
    32   6    -0.01   0.00  -0.00     0.01  -0.00   0.00     0.10  -0.03   0.02
    33   6    -0.02   0.01  -0.00     0.00  -0.01  -0.00    -0.05  -0.06  -0.03
    34   6    -0.00   0.00  -0.00    -0.00   0.01   0.00    -0.02   0.10   0.03
    35   6     0.00  -0.01  -0.00     0.01   0.00   0.00     0.06  -0.01   0.02
    36   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.03  -0.01  -0.01
    37   6     0.00   0.00  -0.00     0.02   0.01  -0.01    -0.03  -0.03   0.01
    38   6     0.01   0.00  -0.00     0.02   0.00  -0.01    -0.01   0.03   0.00
    39   6     0.00   0.00   0.00    -0.00   0.01   0.00     0.03  -0.01  -0.02
    40   6    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.02  -0.02   0.00
    41   7     0.02  -0.02   0.00    -0.00   0.01  -0.00     0.03   0.03  -0.02
    42   7    -0.01  -0.00  -0.01     0.00   0.01   0.00    -0.01   0.02  -0.01
    43   7    -0.01  -0.00   0.00    -0.03  -0.01   0.01     0.01  -0.02   0.01
    44   6    -0.02   0.02  -0.01     0.01  -0.02   0.01    -0.02  -0.00  -0.01
    45   6     0.03  -0.06   0.02    -0.01   0.03  -0.01     0.03  -0.04   0.02
    46   6    -0.01   0.06  -0.02     0.00  -0.03   0.01    -0.02   0.05  -0.02
    47   6    -0.00  -0.03   0.01     0.00   0.01  -0.00     0.00  -0.03   0.01
    48   6    -0.02  -0.04   0.02     0.00   0.01  -0.00    -0.03   0.00   0.01
    49   6     0.06   0.09  -0.04    -0.01  -0.03   0.01     0.02  -0.04   0.01
    50   6    -0.08  -0.07   0.04     0.02   0.02  -0.01    -0.00   0.05  -0.02
    51   6     0.04   0.02  -0.02    -0.01  -0.01   0.01    -0.02  -0.03   0.01
    52   6    -0.01   0.01  -0.01    -0.04   0.03  -0.02     0.00   0.01  -0.01
    53   6     0.03  -0.03   0.02     0.07  -0.08   0.07    -0.02  -0.01   0.01
    54   6    -0.02   0.03  -0.03    -0.05   0.09  -0.08     0.02   0.00  -0.00
    55   6     0.00  -0.02   0.01     0.01  -0.04   0.04    -0.01   0.01  -0.01
    56   6    -0.03   0.04  -0.02     0.01  -0.02   0.01    -0.02   0.04  -0.02
    57   6     0.02  -0.01   0.01    -0.01   0.01  -0.01     0.02  -0.00   0.01
    58   6     0.02   0.01   0.01    -0.01  -0.00  -0.00     0.02   0.01   0.01
    59   6    -0.00  -0.02   0.00     0.00   0.00   0.00     0.01  -0.02   0.01
    60   6    -0.01   0.01  -0.01     0.00  -0.01   0.00    -0.01  -0.01  -0.00
    61   6     0.02   0.01   0.01    -0.01  -0.00  -0.01     0.02   0.01   0.01
    62   6     0.01   0.02  -0.00    -0.01  -0.01  -0.00    -0.00   0.02  -0.01
    63   6    -0.00  -0.05   0.01    -0.00   0.03  -0.00     0.00  -0.04   0.01
    64   6    -0.03  -0.07   0.03     0.01   0.02  -0.01     0.01   0.02  -0.01
    65   6     0.00   0.04  -0.01     0.00  -0.01   0.00     0.03  -0.01  -0.00
    66   6    -0.04   0.03   0.00     0.01  -0.01  -0.00     0.02  -0.00  -0.00
    67   6     0.02   0.01  -0.01    -0.01  -0.01   0.00    -0.02  -0.03   0.02
    68   6    -0.01  -0.02   0.01    -0.00   0.00  -0.00    -0.03  -0.01   0.01
    69   6    -0.03   0.03  -0.00     0.01  -0.01   0.00     0.02   0.00  -0.00
    70   6    -0.04  -0.01   0.01     0.01   0.00  -0.00     0.00   0.03  -0.01
    71   6     0.07   0.04  -0.03    -0.02  -0.01   0.01    -0.02  -0.01   0.01
    72   6    -0.02   0.02  -0.02    -0.07   0.05  -0.04     0.00  -0.00   0.00
    73   6     0.02  -0.01   0.00     0.04  -0.02   0.01    -0.01  -0.01   0.01
    74   6     0.02   0.01  -0.01     0.04   0.02  -0.02     0.00  -0.00   0.00
    75   6     0.00  -0.01   0.01     0.01  -0.02   0.02    -0.01   0.01  -0.01
    76   6    -0.01   0.00  -0.00    -0.02   0.01  -0.01    -0.00   0.01  -0.01
    77   6     0.02   0.00  -0.00     0.05   0.01  -0.01     0.00  -0.00   0.00
    78   6     0.00   0.01  -0.01     0.01   0.04  -0.03     0.01  -0.00   0.00
    79   6     0.01  -0.02   0.02     0.02  -0.07   0.06    -0.00   0.00  -0.00
    80   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    81  15     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    82   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    83   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    84   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    85   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    86   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    87   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    88   1    -0.00   0.00  -0.00     0.00  -0.02   0.00     0.02  -0.12   0.03
    89   1     0.01  -0.01   0.00    -0.01   0.01  -0.00    -0.06   0.03  -0.02
    90   1     0.01  -0.00   0.00    -0.01   0.00   0.00    -0.10  -0.00   0.01
    91   1     0.00   0.01   0.00     0.00  -0.00  -0.00     0.11   0.15   0.05
    92   1    -0.01   0.00  -0.00    -0.01  -0.00   0.00    -0.20   0.04  -0.05
    93   1    -0.01  -0.01  -0.01     0.01   0.01   0.01    -0.14  -0.11  -0.09
    94   1    -0.01   0.00   0.00    -0.05   0.00   0.01     0.02   0.01  -0.01
    95   1    -0.00  -0.01   0.00    -0.02  -0.03   0.01     0.02   0.03  -0.02
    96   1     0.01  -0.00  -0.00     0.03  -0.00  -0.00    -0.02   0.01  -0.00
    97   1    -0.01  -0.01  -0.01     0.01   0.01   0.01    -0.01  -0.01  -0.01
    98   1    -0.01   0.00   0.00     0.02  -0.00   0.00    -0.01   0.02   0.02
    99   1     0.00  -0.01  -0.00    -0.01  -0.01  -0.01     0.12   0.10   0.10
   100   1    -0.01  -0.00  -0.00    -0.01   0.00   0.00     0.21  -0.02   0.00
   101   1     0.02  -0.02  -0.00    -0.01   0.02   0.01    -0.02   0.05   0.02
   102   1     0.02   0.00   0.00    -0.02   0.00  -0.01    -0.13   0.02  -0.03
   103   1    -0.00  -0.01  -0.00     0.01  -0.02  -0.00     0.11  -0.21  -0.04
   104   1     0.01  -0.01   0.00     0.01  -0.00   0.00     0.16  -0.03   0.05
   105   1    -0.01  -0.00   0.00    -0.03  -0.00   0.02     0.02  -0.01  -0.01
   106   1    -0.01  -0.01   0.00    -0.02  -0.03   0.01     0.04   0.04  -0.01
   107   1     0.00   0.00  -0.00     0.02   0.00  -0.01    -0.07   0.01   0.03
   108   1    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.03  -0.03   0.01
   109   1     0.11  -0.17   0.08    -0.05   0.07  -0.03     0.12  -0.19   0.09
   110   1    -0.05  -0.17   0.01     0.02   0.07  -0.00    -0.06  -0.19   0.01
   111   1    -0.13  -0.01  -0.06     0.05   0.00   0.02    -0.15  -0.01  -0.06
   112   1    -0.07   0.09  -0.05     0.02  -0.03   0.02    -0.09   0.12  -0.07
   113   1    -0.01  -0.12   0.02     0.00   0.08  -0.01    -0.01  -0.02  -0.00
   114   1    -0.10  -0.08  -0.03     0.06   0.05   0.02    -0.03  -0.02  -0.01
   115   1    -0.12   0.09  -0.08     0.08  -0.05   0.05    -0.07   0.06  -0.04
   116   1    -0.00   0.21  -0.04     0.00  -0.12   0.02     0.00   0.13  -0.02
   117   1     0.13   0.30  -0.13    -0.04  -0.09   0.04    -0.08  -0.20   0.09
   118   1     0.27   0.06  -0.09    -0.09  -0.02   0.03    -0.19  -0.03   0.06
   119   1     0.12  -0.18   0.03    -0.04   0.06  -0.01    -0.10   0.15  -0.03
   120   1    -0.06  -0.17   0.08     0.02   0.06  -0.03     0.07   0.18  -0.08
   121   1     0.17   0.08  -0.07    -0.04  -0.02   0.02     0.08   0.06  -0.04
   122   1     0.20  -0.09  -0.02    -0.05   0.02   0.00     0.06  -0.02  -0.01
   123   1    -0.01  -0.28   0.10     0.00   0.07  -0.03     0.01  -0.03   0.01
   124   1    -0.28  -0.17   0.13     0.07   0.05  -0.03    -0.01  -0.01   0.01
   125   1     0.10  -0.08   0.07     0.28  -0.23   0.19    -0.05   0.04  -0.03
   126   1    -0.02  -0.09   0.08    -0.05  -0.25   0.23     0.02   0.04  -0.04
   127   1    -0.09  -0.01   0.01    -0.26  -0.03   0.04     0.06   0.00  -0.01
   128   1    -0.06   0.04  -0.04    -0.18   0.12  -0.10     0.05  -0.04   0.04
   129   1     0.01  -0.06   0.05     0.02  -0.16   0.15     0.01  -0.05   0.04
   130   1    -0.06  -0.04   0.04    -0.18  -0.12   0.12    -0.04  -0.03   0.03
   131   1    -0.10   0.04  -0.03    -0.29   0.12  -0.09    -0.04   0.01  -0.01
   132   1    -0.03   0.10  -0.09    -0.07   0.29  -0.26    -0.01   0.04  -0.03
   133   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   134   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
   135   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
   136   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
   137   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
   138   1    -0.00   0.00   0.00    -0.00   0.01   0.00     0.00  -0.01  -0.00
   139   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01  -0.00
   140   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   141   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   142   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   143  17    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                    295                    296                    297
                      A                      A                      A
 Frequencies --   1349.3478              1349.9696              1350.7804
 Red. masses --      2.0414                 1.9242                 2.2707
 Frc consts  --      2.1899                 2.0661                 2.4410
 IR Inten    --     22.0064                17.0830                15.0365
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.00     0.01  -0.01   0.00     0.06  -0.01   0.00
     2   6    -0.01   0.00   0.00    -0.00   0.01  -0.00     0.01  -0.02  -0.00
     3   6     0.01  -0.00  -0.00     0.01   0.01   0.00    -0.02   0.05   0.00
     4   6     0.02  -0.03   0.00    -0.01   0.00  -0.00    -0.00   0.06  -0.01
     5   6     0.01  -0.02   0.00    -0.01   0.01  -0.00    -0.03  -0.01   0.00
     6   6     0.01   0.01  -0.00     0.01  -0.01   0.00    -0.00  -0.02   0.00
     7   6     0.02  -0.01   0.01    -0.01  -0.01  -0.00    -0.03  -0.05  -0.01
     8   6    -0.02   0.04  -0.00     0.00   0.00   0.00     0.01  -0.01   0.00
     9   6     0.01  -0.03   0.01    -0.00  -0.00   0.00    -0.01   0.02  -0.01
    10   6    -0.03   0.04  -0.01     0.01  -0.00  -0.00     0.03  -0.05   0.02
    11   6    -0.02  -0.03  -0.01    -0.00  -0.00  -0.00     0.00   0.01   0.00
    12   6    -0.01   0.03   0.00     0.02  -0.00   0.00     0.07  -0.01   0.02
    13   6     0.03  -0.01   0.01     0.01   0.00   0.00     0.01   0.00   0.00
    14   6    -0.01  -0.02  -0.01    -0.01   0.01  -0.00    -0.02   0.03  -0.00
    15   7    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6    -0.01   0.02  -0.01    -0.00  -0.01   0.00     0.00  -0.01   0.00
    17   6     0.02  -0.03   0.01    -0.00   0.02  -0.01    -0.02  -0.00   0.00
    18   7    -0.02   0.00   0.00     0.01  -0.01   0.00     0.00   0.01  -0.01
    19   6     0.02   0.02  -0.01    -0.01  -0.01   0.01     0.00  -0.01   0.00
    20   6    -0.02  -0.02   0.01     0.01   0.01  -0.01     0.01   0.00  -0.00
    21   6    -0.04  -0.02   0.01     0.02  -0.00  -0.00     0.01   0.03  -0.01
    22   6     0.03   0.00  -0.01    -0.01   0.00   0.00    -0.00  -0.00   0.00
    23   6    -0.00  -0.01  -0.00    -0.00   0.01   0.00    -0.04   0.01  -0.01
    24   6     0.01  -0.02  -0.01    -0.01   0.00  -0.00    -0.06   0.01   0.00
    25   6     0.02   0.02  -0.01    -0.01   0.00   0.00    -0.01  -0.04  -0.00
    26   6     0.03   0.04   0.03     0.01   0.01   0.01    -0.03  -0.04  -0.04
    27   6    -0.03   0.01  -0.00    -0.00   0.00   0.00     0.04   0.00   0.01
    28   6     0.04  -0.06  -0.04     0.02  -0.03  -0.02    -0.03   0.05   0.03
    29   6     0.01   0.02   0.02     0.00   0.00  -0.00    -0.00  -0.03  -0.02
    30   6    -0.06   0.00   0.00    -0.03   0.00  -0.00     0.03  -0.00  -0.00
    31   6     0.01  -0.01  -0.00     0.02  -0.04  -0.01     0.01  -0.02  -0.01
    32   6     0.00   0.00   0.00    -0.02  -0.00  -0.01     0.00  -0.01  -0.00
    33   6     0.01   0.01   0.01     0.04   0.05   0.03     0.04   0.05   0.03
    34   6    -0.00   0.00   0.00     0.01  -0.02  -0.00     0.01   0.00   0.01
    35   6    -0.01   0.00  -0.00    -0.05   0.01  -0.02    -0.05   0.01  -0.01
    36   6    -0.02   0.00   0.01     0.04  -0.01  -0.02    -0.05   0.01   0.02
    37   6    -0.01   0.01   0.00    -0.01  -0.02   0.00     0.02   0.02  -0.01
    38   6     0.02  -0.05  -0.01    -0.02   0.07   0.01     0.02  -0.07  -0.01
    39   6    -0.01  -0.01  -0.00     0.02  -0.00  -0.01    -0.03   0.02   0.01
    40   6     0.03   0.03  -0.01    -0.03  -0.04   0.01     0.03   0.03  -0.01
    41   7    -0.01  -0.02   0.01    -0.04  -0.05   0.02    -0.04  -0.05   0.02
    42   7    -0.02   0.07  -0.02    -0.01   0.04  -0.01     0.02  -0.04   0.01
    43   7    -0.03   0.05  -0.03     0.03  -0.05   0.04    -0.02   0.04  -0.03
    44   6    -0.01  -0.05   0.00    -0.01  -0.03   0.00     0.01   0.03  -0.00
    45   6     0.05   0.03   0.02     0.02   0.01   0.01    -0.03  -0.03  -0.01
    46   6    -0.05  -0.01  -0.02    -0.03  -0.00  -0.01     0.03   0.01   0.01
    47   6     0.03  -0.03   0.02     0.02  -0.02   0.01    -0.02   0.01  -0.01
    48   6     0.01   0.00  -0.00     0.04   0.01  -0.01     0.04   0.01  -0.01
    49   6    -0.01   0.01   0.00    -0.05   0.03   0.00    -0.05   0.02   0.01
    50   6     0.01  -0.01   0.00     0.03  -0.04   0.00     0.04  -0.03   0.00
    51   6     0.00   0.01  -0.01     0.00   0.04  -0.01     0.00   0.04  -0.01
    52   6    -0.00  -0.03   0.03     0.00   0.03  -0.03    -0.01  -0.02   0.02
    53   6     0.03   0.02  -0.02    -0.04  -0.02   0.02     0.03   0.02  -0.02
    54   6    -0.04  -0.01   0.01     0.05   0.01  -0.01    -0.04  -0.01   0.01
    55   6     0.04  -0.02   0.01    -0.04   0.02  -0.01     0.03  -0.01   0.01
    56   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    57   6     0.02   0.03   0.00     0.01   0.02   0.00    -0.01  -0.02  -0.00
    58   6    -0.00   0.02  -0.01    -0.00   0.01  -0.00     0.01  -0.01   0.01
    59   6     0.03  -0.04   0.02     0.02  -0.02   0.01    -0.02   0.03  -0.01
    60   6    -0.00  -0.06   0.01    -0.00  -0.03   0.00     0.00   0.03  -0.01
    61   6    -0.01   0.02  -0.01    -0.00   0.01  -0.00     0.00  -0.01   0.00
    62   6    -0.04   0.01  -0.02    -0.02   0.01  -0.01     0.02  -0.00   0.01
    63   6     0.00   0.01  -0.00     0.00   0.00   0.00     0.00  -0.01   0.00
    64   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    65   6    -0.01   0.00   0.00    -0.04   0.00   0.01    -0.04   0.00   0.01
    66   6    -0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    67   6     0.00   0.01  -0.01     0.02   0.05  -0.02     0.01   0.04  -0.02
    68   6     0.01   0.01  -0.01     0.04   0.02  -0.02     0.04   0.02  -0.02
    69   6    -0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    70   6     0.00  -0.01   0.00     0.01  -0.03   0.01     0.01  -0.03   0.01
    71   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    72   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    73   6     0.01   0.02  -0.02    -0.01  -0.02   0.02     0.01   0.02  -0.02
    74   6    -0.01   0.01  -0.01     0.01  -0.01   0.01    -0.01   0.01  -0.01
    75   6     0.03  -0.02   0.02    -0.04   0.03  -0.02     0.03  -0.02   0.02
    76   6     0.01  -0.03   0.03    -0.01   0.04  -0.03     0.00  -0.03   0.03
    77   6    -0.01   0.01  -0.01     0.01  -0.01   0.01    -0.00   0.01  -0.01
    78   6    -0.03   0.00  -0.00     0.04  -0.01   0.00    -0.03   0.01  -0.00
    79   6    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    80   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    81  15    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    82   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    83   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    84   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    85   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    86   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    87   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    88   1    -0.00  -0.03  -0.00     0.01  -0.03  -0.00     0.02  -0.04   0.00
    89   1    -0.02   0.08  -0.01    -0.01  -0.00   0.00    -0.01  -0.07   0.01
    90   1    -0.10   0.03   0.00    -0.02  -0.00  -0.00     0.02  -0.03  -0.00
    91   1     0.04   0.06   0.02     0.03   0.04   0.02     0.06   0.09   0.03
    92   1    -0.05   0.00  -0.01    -0.05   0.01  -0.01    -0.13   0.03  -0.04
    93   1    -0.03  -0.04  -0.02    -0.04  -0.04  -0.03    -0.09  -0.07  -0.05
    94   1     0.10   0.00  -0.03     0.00  -0.01   0.00    -0.11   0.01   0.03
    95   1     0.07   0.10  -0.05    -0.01  -0.02   0.01    -0.05  -0.07   0.05
    96   1    -0.06   0.01   0.01    -0.00  -0.00  -0.00     0.09  -0.01  -0.01
    97   1    -0.10  -0.12  -0.11    -0.06  -0.07  -0.07     0.09   0.10   0.09
    98   1    -0.12  -0.00   0.01    -0.09   0.00   0.01     0.10   0.01   0.00
    99   1     0.07   0.07   0.08     0.06   0.07   0.07     0.02  -0.00  -0.01
   100   1     0.20  -0.00   0.00     0.15  -0.00   0.00    -0.04  -0.01  -0.00
   101   1    -0.03   0.08   0.02    -0.08   0.17   0.05    -0.09   0.18   0.06
   102   1    -0.07   0.02  -0.02    -0.12   0.03  -0.05    -0.15   0.03  -0.06
   103   1     0.02  -0.05  -0.02     0.07  -0.14  -0.05     0.11  -0.22  -0.07
   104   1     0.07  -0.02   0.02     0.20  -0.06   0.06     0.28  -0.07   0.08
   105   1     0.15  -0.03  -0.07    -0.17   0.03   0.08     0.13  -0.02  -0.06
   106   1     0.08   0.10  -0.00    -0.09  -0.10   0.01     0.06   0.06  -0.01
   107   1    -0.17   0.03   0.09     0.13  -0.03  -0.08    -0.04   0.02   0.03
   108   1    -0.17  -0.19   0.04     0.15   0.16  -0.03    -0.07  -0.07   0.01
   109   1     0.09  -0.14   0.07     0.05  -0.08   0.04    -0.04   0.07  -0.03
   110   1    -0.07  -0.16   0.00    -0.04  -0.09   0.00     0.04   0.08   0.00
   111   1    -0.18  -0.01  -0.08    -0.09  -0.00  -0.04     0.10   0.00   0.04
   112   1    -0.12   0.19  -0.09    -0.06   0.10  -0.05     0.07  -0.11   0.05
   113   1    -0.00   0.23  -0.05    -0.00   0.12  -0.03     0.00  -0.15   0.03
   114   1     0.14   0.13   0.04     0.07   0.06   0.02    -0.09  -0.08  -0.03
   115   1     0.14  -0.08   0.08     0.07  -0.04   0.04    -0.11   0.06  -0.06
   116   1     0.00  -0.18   0.04     0.00  -0.08   0.02    -0.00   0.14  -0.03
   117   1     0.02   0.05  -0.02     0.06   0.13  -0.06     0.05   0.11  -0.05
   118   1     0.05   0.00  -0.02     0.15   0.01  -0.04     0.13   0.01  -0.04
   119   1     0.03  -0.05   0.01     0.09  -0.15   0.03     0.08  -0.14   0.02
   120   1    -0.03  -0.06   0.03    -0.08  -0.18   0.08    -0.08  -0.17   0.08
   121   1    -0.06  -0.04   0.03    -0.17  -0.11   0.08    -0.16  -0.10   0.08
   122   1    -0.05   0.02   0.01    -0.16   0.07   0.02    -0.16   0.07   0.02
   123   1    -0.00   0.05  -0.02    -0.01   0.16  -0.05    -0.01   0.16  -0.05
   124   1     0.04   0.03  -0.02     0.14   0.09  -0.06     0.14   0.09  -0.07
   125   1     0.08  -0.07   0.06    -0.10   0.09  -0.07     0.09  -0.07   0.06
   126   1    -0.04  -0.09   0.08     0.04   0.11  -0.10    -0.03  -0.09   0.08
   127   1    -0.15  -0.01   0.02     0.17   0.01  -0.02    -0.12  -0.01   0.02
   128   1    -0.12   0.11  -0.09     0.14  -0.12   0.10    -0.11   0.09  -0.07
   129   1    -0.04   0.15  -0.14     0.04  -0.16   0.14    -0.03   0.11  -0.10
   130   1     0.12   0.09  -0.09    -0.12  -0.09   0.09     0.08   0.06  -0.06
   131   1     0.15  -0.05   0.04    -0.16   0.05  -0.04     0.11  -0.03   0.02
   132   1     0.03  -0.13   0.11    -0.03   0.13  -0.11     0.02  -0.08   0.07
   133   1     0.00   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.01
   134   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
   135   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   136   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
   137   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
   138   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
   139   1     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
   140   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   141   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
   142   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   143  17    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
                    298                    299                    300
                      A                      A                      A
 Frequencies --   1353.4746              1361.7259              1373.9204
 Red. masses --      3.0764                 3.6204                 4.3148
 Frc consts  --      3.3204                 3.9554                 4.7988
 IR Inten    --     48.6034                 1.1141                14.3490
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.11  -0.01     0.02  -0.08   0.01    -0.04  -0.09   0.01
     2   6    -0.02  -0.05   0.01    -0.03   0.08  -0.00    -0.03   0.12  -0.01
     3   6    -0.04  -0.07  -0.00     0.09   0.08  -0.00     0.09   0.03  -0.00
     4   6     0.10  -0.02   0.00    -0.06  -0.07   0.01    -0.08  -0.11   0.02
     5   6     0.05  -0.07   0.01    -0.05   0.03  -0.00    -0.04   0.05  -0.00
     6   6    -0.06   0.03  -0.00     0.10  -0.01  -0.00     0.13  -0.01  -0.00
     7   6     0.07   0.03   0.03     0.03  -0.10   0.01     0.06  -0.05   0.02
     8   6    -0.04   0.13  -0.00    -0.04   0.08  -0.01    -0.03   0.12  -0.00
     9   6     0.02  -0.08   0.03     0.02   0.00  -0.00    -0.02  -0.09   0.03
    10   6    -0.06   0.10  -0.04    -0.03   0.01   0.00     0.01   0.09  -0.04
    11   6    -0.03  -0.07  -0.02    -0.05  -0.06  -0.02    -0.06  -0.07  -0.03
    12   6    -0.08   0.09  -0.01     0.06   0.04   0.03     0.01   0.05   0.01
    13   6     0.06  -0.03   0.01     0.09  -0.01   0.03     0.11  -0.02   0.03
    14   6    -0.01  -0.08  -0.02    -0.05  -0.01  -0.02    -0.04  -0.03  -0.02
    15   7    -0.00   0.02  -0.01     0.01  -0.02   0.02     0.01   0.04  -0.02
    16   6    -0.00  -0.00   0.00    -0.07   0.14  -0.05     0.04  -0.12   0.05
    17   6     0.04  -0.03   0.01     0.01  -0.13   0.06    -0.03   0.15  -0.06
    18   7    -0.04   0.00   0.01    -0.02   0.03  -0.01     0.05  -0.07   0.02
    19   6    -0.01   0.03  -0.01     0.11   0.00  -0.03    -0.12  -0.01   0.03
    20   6    -0.02  -0.01   0.01    -0.08  -0.10   0.06     0.10   0.10  -0.07
    21   6    -0.03  -0.07   0.03    -0.12   0.08  -0.01     0.13  -0.09   0.01
    22   6     0.02   0.02  -0.01     0.12  -0.03  -0.01    -0.13   0.03   0.01
    23   6     0.02  -0.06  -0.01    -0.03   0.02  -0.00    -0.01   0.02   0.00
    24   6     0.06  -0.04  -0.02    -0.06  -0.00  -0.01    -0.02   0.00  -0.00
    25   6     0.02   0.07  -0.00     0.05  -0.01  -0.02    -0.05  -0.00   0.02
    26   6     0.00   0.00  -0.00    -0.02  -0.03  -0.02    -0.00  -0.01  -0.01
    27   6    -0.04  -0.01  -0.01     0.01   0.01   0.01    -0.00  -0.00  -0.00
    28   6    -0.02   0.03   0.02    -0.02   0.03   0.02    -0.01   0.02   0.01
    29   6     0.02   0.03   0.03     0.01  -0.02  -0.02     0.01  -0.01  -0.00
    30   6     0.02  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   6     0.01  -0.02  -0.01    -0.01   0.02   0.01     0.01   0.00   0.01
    32   6     0.02   0.01   0.01    -0.00  -0.01  -0.00    -0.02   0.01  -0.01
    33   6     0.02   0.02   0.01    -0.02  -0.02  -0.02    -0.02  -0.01  -0.01
    34   6    -0.03   0.02  -0.00     0.02   0.00   0.01     0.02  -0.01   0.00
    35   6     0.01  -0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    36   6     0.04  -0.01  -0.02     0.02  -0.01  -0.01    -0.01   0.01   0.01
    37   6    -0.03  -0.03   0.01     0.01   0.03  -0.00    -0.02  -0.03   0.00
    38   6    -0.01   0.04   0.01    -0.01   0.03   0.01    -0.00  -0.02  -0.00
    39   6     0.03  -0.02  -0.02    -0.03  -0.02   0.01     0.03   0.02  -0.01
    40   6    -0.01  -0.02   0.00     0.01   0.01  -0.01    -0.02  -0.02   0.01
    41   7    -0.02  -0.02   0.01     0.02   0.00  -0.00     0.01  -0.01   0.00
    42   7     0.01  -0.05   0.01     0.01  -0.01   0.01     0.01  -0.00   0.00
    43   7     0.00  -0.01   0.01    -0.00  -0.02   0.01     0.02   0.01  -0.01
    44   6     0.01   0.03  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
    45   6    -0.03  -0.01  -0.01    -0.02  -0.01  -0.00    -0.01  -0.01  -0.00
    46   6     0.04   0.00   0.02     0.01   0.01   0.00     0.01   0.00   0.00
    47   6    -0.02   0.01  -0.01    -0.01  -0.00  -0.01    -0.01  -0.01  -0.00
    48   6     0.02   0.00  -0.01    -0.01   0.00   0.00    -0.01   0.01   0.00
    49   6    -0.02   0.02  -0.00     0.01  -0.01   0.00     0.01  -0.01   0.00
    50   6     0.01  -0.02   0.00    -0.01   0.02  -0.00    -0.01   0.02  -0.00
    51   6     0.00   0.02  -0.01     0.00  -0.00  -0.00     0.01   0.00  -0.01
    52   6     0.00   0.01  -0.00     0.01   0.01  -0.01    -0.01  -0.01   0.01
    53   6    -0.01  -0.00   0.00    -0.02  -0.00   0.00     0.01  -0.00   0.00
    54   6     0.01  -0.00  -0.00     0.03   0.00  -0.00    -0.03  -0.00   0.00
    55   6    -0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00   0.01  -0.01
    56   6     0.00  -0.00   0.00    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    57   6    -0.02  -0.02  -0.00    -0.01  -0.01   0.00    -0.00  -0.01  -0.00
    58   6     0.00  -0.01   0.00     0.01  -0.00   0.00     0.01  -0.00   0.00
    59   6    -0.02   0.03  -0.01    -0.01   0.01  -0.01    -0.01   0.01  -0.00
    60   6     0.00   0.04  -0.01    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    61   6     0.00  -0.01   0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    62   6     0.02  -0.01   0.01     0.01  -0.00   0.01     0.01  -0.00   0.01
    63   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    64   6    -0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.00
    65   6    -0.02   0.00   0.00     0.01  -0.00  -0.00     0.02  -0.00  -0.00
    66   6    -0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01   0.00
    67   6     0.01   0.02  -0.01    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    68   6     0.02   0.01  -0.01    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    69   6    -0.01  -0.00   0.00     0.01   0.00  -0.00     0.01  -0.00  -0.00
    70   6     0.00  -0.02   0.01    -0.00   0.01  -0.00     0.00   0.01  -0.00
    71   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    72   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    73   6    -0.01  -0.01   0.01    -0.01  -0.01   0.01     0.01   0.01  -0.01
    74   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01  -0.01   0.01
    75   6    -0.01   0.01  -0.00    -0.01   0.01  -0.01     0.01  -0.01   0.01
    76   6    -0.00   0.01  -0.01    -0.00   0.02  -0.01     0.00  -0.01   0.01
    77   6    -0.00  -0.00   0.00    -0.00  -0.01   0.01     0.00   0.01  -0.01
    78   6     0.01  -0.00   0.00     0.02  -0.00   0.00    -0.01   0.01  -0.00
    79   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    80   8     0.01   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    81  15    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    82   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    83   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    84   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    85   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    86   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    87   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    88   1    -0.05   0.04  -0.00     0.06  -0.20  -0.01     0.10  -0.26  -0.01
    89   1    -0.01   0.11  -0.03    -0.08   0.12  -0.00    -0.08   0.16   0.00
    90   1    -0.07   0.04   0.00    -0.29   0.06   0.01    -0.31   0.07   0.01
    91   1     0.03   0.00  -0.01     0.19   0.26   0.07     0.19   0.26   0.07
    92   1     0.02  -0.03   0.01    -0.32   0.05  -0.09    -0.32   0.04  -0.09
    93   1     0.01  -0.06  -0.00    -0.16  -0.15  -0.09    -0.15  -0.18  -0.10
    94   1     0.17   0.00  -0.05     0.14  -0.01  -0.04     0.00  -0.03   0.02
    95   1     0.12   0.16  -0.10     0.14   0.17  -0.10    -0.12  -0.17   0.10
    96   1    -0.12   0.03   0.01    -0.09  -0.01   0.02     0.11   0.01  -0.02
    97   1     0.13   0.15   0.14     0.07   0.08   0.07     0.04   0.03   0.04
    98   1     0.25  -0.01  -0.02     0.11   0.01   0.00     0.08  -0.00  -0.00
    99   1    -0.17  -0.20  -0.19     0.03   0.01   0.00    -0.00  -0.02  -0.02
   100   1    -0.33   0.00  -0.00     0.03  -0.01   0.00     0.00  -0.01  -0.00
   101   1    -0.09   0.21   0.06     0.06  -0.12  -0.03     0.05  -0.08  -0.02
   102   1    -0.22   0.07  -0.07     0.12  -0.04   0.04     0.13  -0.03   0.04
   103   1     0.03  -0.10  -0.04     0.00   0.03   0.02    -0.02   0.08   0.03
   104   1     0.09  -0.03   0.03    -0.00   0.01  -0.00    -0.01   0.01  -0.01
   105   1    -0.02   0.00   0.01    -0.19   0.03   0.09     0.13  -0.01  -0.06
   106   1     0.01   0.02  -0.00    -0.17  -0.17   0.04     0.14   0.15  -0.03
   107   1    -0.10   0.01   0.04     0.09  -0.05  -0.06    -0.05   0.04   0.03
   108   1    -0.06  -0.07   0.01     0.04   0.03  -0.00     0.02   0.03  -0.01
   109   1    -0.06   0.10  -0.05    -0.01   0.01  -0.01    -0.00   0.01  -0.00
   110   1     0.05   0.12  -0.00     0.01   0.03   0.00     0.01   0.02   0.00
   111   1     0.11   0.01   0.05     0.03  -0.00   0.01     0.01   0.00   0.00
   112   1     0.07  -0.12   0.06     0.02  -0.04   0.02     0.01  -0.02   0.01
   113   1     0.00  -0.14   0.03    -0.00  -0.04   0.01    -0.00  -0.01   0.00
   114   1    -0.09  -0.08  -0.02    -0.02  -0.01  -0.01    -0.00   0.00  -0.00
   115   1    -0.08   0.04  -0.05    -0.04   0.03  -0.03    -0.03   0.02  -0.02
   116   1    -0.00   0.10  -0.02     0.00   0.06  -0.01     0.00   0.03  -0.01
   117   1     0.04   0.08  -0.04    -0.02  -0.05   0.02    -0.01  -0.04   0.02
   118   1     0.09   0.01  -0.03    -0.05  -0.01   0.02    -0.05  -0.01   0.02
   119   1     0.04  -0.07   0.01    -0.02   0.02  -0.00    -0.00  -0.01   0.00
   120   1    -0.03  -0.08   0.04     0.01   0.03  -0.02     0.00   0.01  -0.01
   121   1    -0.07  -0.05   0.04     0.04   0.02  -0.02     0.03   0.02  -0.01
   122   1    -0.07   0.03   0.01     0.03  -0.01  -0.00     0.02  -0.01  -0.00
   123   1    -0.01   0.06  -0.02     0.00  -0.03   0.01     0.00  -0.02   0.01
   124   1     0.04   0.03  -0.02    -0.02  -0.01   0.01    -0.00  -0.00   0.00
   125   1    -0.03   0.03  -0.02    -0.05   0.04  -0.03     0.05  -0.03   0.03
   126   1     0.01   0.03  -0.03     0.02   0.05  -0.05    -0.01  -0.05   0.04
   127   1     0.03   0.00  -0.00     0.04   0.00  -0.01     0.01  -0.00   0.00
   128   1     0.02  -0.02   0.02     0.04  -0.03   0.03    -0.01   0.00  -0.00
   129   1     0.01  -0.02   0.02     0.01  -0.05   0.04    -0.01   0.03  -0.03
   130   1    -0.02  -0.01   0.01    -0.03  -0.03   0.03     0.02   0.02  -0.02
   131   1    -0.02   0.00  -0.00    -0.04   0.01  -0.01     0.01   0.00  -0.00
   132   1    -0.00   0.01  -0.01    -0.01   0.02  -0.02     0.00   0.01  -0.01
   133   1     0.00   0.00   0.01     0.00   0.00   0.01    -0.00  -0.00  -0.00
   134   1    -0.00   0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.01
   135   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
   136   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
   137   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
   138   1     0.00  -0.02  -0.00     0.00  -0.02  -0.00     0.00  -0.02  -0.00
   139   1     0.00  -0.00  -0.00     0.00  -0.02  -0.00     0.00  -0.02  -0.00
   140   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
   141   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00  -0.01
   142   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
   143  17    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
                    301                    302                    303
                      A                      A                      A
 Frequencies --   1383.9590              1384.1764              1384.3968
 Red. masses --      3.6603                 3.6794                 3.6983
 Frc consts  --      4.1306                 4.1535                 4.1762
 IR Inten    --     97.2369               294.3594                35.8434
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00     0.01  -0.01   0.00    -0.01   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.01   0.00   0.00     0.00   0.00  -0.00
     6   6     0.01  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
     8   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   6    -0.01  -0.00  -0.00     0.01  -0.00   0.00    -0.01   0.00  -0.00
    13   6    -0.00  -0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    14   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   7    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   6     0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.00
    17   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    18   7     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.01  -0.00   0.00
    20   6     0.00   0.00  -0.00     0.01   0.01  -0.00     0.01   0.01  -0.01
    21   6     0.00  -0.00  -0.00     0.01   0.00  -0.00     0.01   0.00  -0.00
    22   6    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
    23   6    -0.01   0.01  -0.00    -0.01   0.01  -0.00     0.01  -0.01   0.00
    24   6     0.02   0.01   0.01    -0.02  -0.00  -0.00     0.01   0.00   0.00
    25   6    -0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.02  -0.01   0.01
    26   6     0.01  -0.01  -0.01    -0.01   0.00   0.00     0.01  -0.00  -0.00
    27   6    -0.02  -0.00  -0.00     0.02   0.00   0.00    -0.01  -0.00  -0.00
    28   6    -0.05  -0.02  -0.02     0.04   0.02   0.02    -0.03  -0.01  -0.01
    29   6    -0.01  -0.01  -0.01     0.01   0.01   0.01    -0.01  -0.01  -0.00
    30   6    -0.00   0.01   0.01     0.00  -0.01  -0.01    -0.00   0.01   0.01
    31   6    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01     0.01   0.00   0.00
    32   6     0.02  -0.01   0.00     0.02  -0.01   0.00    -0.01   0.00  -0.00
    33   6     0.05  -0.04   0.00     0.04  -0.03  -0.00    -0.02   0.02  -0.00
    34   6     0.01  -0.02  -0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    35   6     0.00   0.01   0.01     0.00   0.01   0.01    -0.00  -0.01  -0.00
    36   6    -0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.01  -0.02  -0.00
    37   6    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.02   0.01  -0.01
    38   6    -0.00  -0.00  -0.00     0.04   0.01  -0.02     0.06   0.02  -0.02
    39   6     0.00   0.00   0.00     0.02   0.00  -0.01     0.02   0.00  -0.01
    40   6    -0.00  -0.00   0.00    -0.01   0.01   0.01    -0.01   0.01   0.01
    41   7    -0.08   0.07  -0.00    -0.06   0.05  -0.00     0.04  -0.03   0.00
    42   7     0.09   0.04   0.03    -0.07  -0.03  -0.03     0.04   0.02   0.02
    43   7     0.00   0.00  -0.00    -0.06  -0.02   0.02    -0.10  -0.04   0.04
    44   6     0.07  -0.09   0.05    -0.06   0.08  -0.04     0.04  -0.05   0.03
    45   6    -0.06  -0.12  -0.00     0.05   0.10   0.00    -0.03  -0.06  -0.00
    46   6    -0.11   0.05  -0.06     0.09  -0.04   0.05    -0.06   0.03  -0.03
    47   6     0.01   0.12  -0.02    -0.01  -0.11   0.02     0.00   0.07  -0.01
    48   6     0.04   0.11  -0.05     0.03   0.09  -0.04    -0.02  -0.06   0.02
    49   6     0.13   0.00  -0.03     0.11   0.00  -0.03    -0.07  -0.00   0.02
    50   6     0.02  -0.13   0.04     0.01  -0.10   0.03    -0.01   0.07  -0.02
    51   6    -0.10  -0.05   0.05    -0.09  -0.04   0.04     0.05   0.03  -0.02
    52   6    -0.00  -0.00   0.00    -0.07   0.05  -0.04    -0.12   0.08  -0.07
    53   6     0.00  -0.00   0.00     0.03   0.07  -0.06     0.05   0.11  -0.10
    54   6    -0.00   0.00   0.00     0.09  -0.03   0.02     0.15  -0.04   0.03
    55   6    -0.00   0.00  -0.00     0.01  -0.07   0.06     0.02  -0.11   0.10
    56   6     0.02  -0.02   0.01    -0.02   0.02  -0.01     0.01  -0.01   0.01
    57   6     0.07   0.06   0.02    -0.06  -0.06  -0.02     0.04   0.03   0.01
    58   6    -0.07  -0.04  -0.02     0.06   0.04   0.02    -0.04  -0.02  -0.01
    59   6     0.01  -0.03   0.01    -0.01   0.03  -0.01     0.00  -0.02   0.01
    60   6    -0.01   0.03  -0.01     0.01  -0.03   0.01    -0.01   0.02  -0.01
    61   6    -0.08  -0.02  -0.03     0.07   0.01   0.03    -0.04  -0.01  -0.02
    62   6     0.08   0.00   0.04    -0.07  -0.00  -0.03     0.05   0.00   0.02
    63   6     0.00   0.03  -0.00    -0.00  -0.02   0.00     0.00   0.02  -0.00
    64   6     0.01   0.03  -0.01     0.01   0.02  -0.01    -0.00  -0.01   0.01
    65   6    -0.09   0.03   0.01    -0.07   0.03   0.01     0.05  -0.02  -0.01
    66   6     0.08  -0.05  -0.01     0.06  -0.04  -0.00    -0.04   0.02   0.00
    67   6     0.02   0.02  -0.01     0.02   0.02  -0.01    -0.01  -0.01   0.01
    68   6    -0.02  -0.02   0.01    -0.02  -0.02   0.01     0.01   0.01  -0.01
    69   6     0.06  -0.07   0.01     0.05  -0.06   0.01    -0.03   0.04  -0.00
    70   6    -0.05   0.08  -0.02    -0.04   0.07  -0.01     0.02  -0.04   0.01
    71   6    -0.03  -0.01   0.01    -0.02  -0.01   0.01     0.01   0.01  -0.01
    72   6     0.00  -0.00   0.00    -0.02   0.01  -0.01    -0.03   0.02  -0.01
    73   6     0.00   0.00  -0.00    -0.05  -0.04   0.04    -0.08  -0.06   0.06
    74   6    -0.00  -0.00   0.00     0.05   0.03  -0.03     0.08   0.04  -0.05
    75   6     0.00  -0.00   0.00    -0.01   0.02  -0.01    -0.02   0.03  -0.02
    76   6     0.00  -0.00   0.00     0.01  -0.02   0.02     0.02  -0.03   0.03
    77   6     0.00   0.00  -0.00     0.07   0.01  -0.02     0.11   0.02  -0.03
    78   6    -0.00   0.00  -0.00    -0.07  -0.00   0.01    -0.12  -0.00   0.01
    79   6     0.00  -0.00   0.00     0.00  -0.02   0.02     0.00  -0.03   0.03
    80   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    81  15     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    82   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    83   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    84   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    85   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    86   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    87   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    88   1     0.00  -0.00   0.00     0.01  -0.02   0.00     0.00   0.00  -0.00
    89   1    -0.01   0.02  -0.00    -0.01   0.02  -0.00     0.00  -0.00   0.00
    90   1    -0.02   0.00  -0.00    -0.04   0.00  -0.00     0.01  -0.00   0.00
    91   1     0.00   0.00   0.00     0.01   0.02   0.00    -0.00  -0.00   0.00
    92   1     0.01  -0.00   0.00    -0.04   0.01  -0.01     0.01  -0.00   0.00
    93   1     0.01   0.01   0.01    -0.02  -0.02  -0.02     0.01   0.01   0.01
    94   1     0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.02  -0.00   0.01
    95   1    -0.00  -0.00   0.00    -0.01  -0.02   0.01    -0.02  -0.03   0.01
    96   1     0.00  -0.00  -0.00     0.01  -0.00   0.00     0.01   0.00   0.00
    97   1     0.05   0.03   0.03    -0.04  -0.03  -0.03     0.03   0.02   0.02
    98   1     0.06  -0.01  -0.00    -0.05   0.01   0.00     0.03  -0.01  -0.00
    99   1     0.02   0.04   0.03    -0.01  -0.03  -0.02     0.01   0.02   0.01
   100   1     0.07   0.02   0.01    -0.05  -0.01  -0.01     0.03   0.01   0.01
   101   1    -0.05   0.06   0.01    -0.04   0.05   0.01     0.02  -0.03  -0.01
   102   1    -0.06   0.01  -0.02    -0.04   0.00  -0.01     0.03  -0.00   0.01
   103   1    -0.01   0.05   0.01    -0.01   0.04   0.01     0.01  -0.02  -0.01
   104   1    -0.06   0.04  -0.01    -0.05   0.03  -0.01     0.03  -0.02   0.01
   105   1     0.00  -0.00  -0.00    -0.04  -0.00   0.02    -0.07  -0.01   0.03
   106   1     0.00   0.00  -0.00    -0.02  -0.03   0.01    -0.03  -0.05   0.01
   107   1     0.00   0.00  -0.00    -0.03   0.01   0.01    -0.05   0.02   0.02
   108   1     0.00   0.00  -0.00    -0.04  -0.02   0.01    -0.06  -0.03   0.02
   109   1     0.09  -0.13   0.07    -0.08   0.11  -0.06     0.05  -0.07   0.04
   110   1    -0.07  -0.25   0.02     0.06   0.22  -0.01    -0.04  -0.14   0.01
   111   1     0.22  -0.01   0.10    -0.19   0.01  -0.09     0.12  -0.00   0.05
   112   1     0.06  -0.12   0.05    -0.06   0.11  -0.05     0.04  -0.07   0.03
   113   1    -0.01   0.14  -0.03     0.01  -0.13   0.03    -0.01   0.08  -0.02
   114   1     0.16   0.16   0.05    -0.14  -0.14  -0.04     0.09   0.09   0.02
   115   1    -0.19   0.15  -0.11     0.16  -0.13   0.10    -0.10   0.08  -0.06
   116   1     0.00   0.17  -0.03    -0.00  -0.14   0.03     0.00   0.09  -0.02
   117   1     0.06   0.15  -0.07     0.05   0.12  -0.06    -0.03  -0.08   0.03
   118   1     0.25   0.06  -0.08     0.20   0.05  -0.07    -0.13  -0.03   0.04
   119   1    -0.11   0.21  -0.04    -0.09   0.17  -0.03     0.06  -0.11   0.02
   120   1     0.07   0.13  -0.06     0.06   0.10  -0.05    -0.04  -0.06   0.03
   121   1    -0.11  -0.09   0.06    -0.09  -0.07   0.05     0.06   0.04  -0.03
   122   1    -0.23   0.08   0.03    -0.19   0.07   0.03     0.12  -0.04  -0.02
   123   1    -0.02  -0.26   0.09    -0.02  -0.21   0.08     0.01   0.13  -0.05
   124   1    -0.14  -0.08   0.07    -0.12  -0.07   0.05     0.07   0.04  -0.03
   125   1     0.00  -0.00   0.00    -0.09   0.07  -0.06    -0.14   0.11  -0.09
   126   1    -0.00  -0.00   0.00     0.02   0.14  -0.13     0.04   0.23  -0.21
   127   1     0.00  -0.00  -0.00    -0.17  -0.00   0.01    -0.29  -0.00   0.02
   128   1     0.00  -0.00   0.00    -0.07   0.07  -0.06    -0.11   0.11  -0.09
   129   1    -0.00   0.00  -0.00     0.03  -0.08   0.07     0.05  -0.13   0.11
   130   1     0.00   0.00  -0.00    -0.12  -0.10   0.10    -0.19  -0.16   0.16
   131   1    -0.00   0.00  -0.00     0.18  -0.08   0.06     0.29  -0.13   0.10
   132   1    -0.00   0.00  -0.00     0.02  -0.09   0.09     0.03  -0.15   0.14
   133   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
   134   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   135   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   136   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   137   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
   138   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   139   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
   140   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
   141   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
   142   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
   143  17    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
                    304                    305                    306
                      A                      A                      A
 Frequencies --   1390.4888              1390.5799              1390.7353
 Red. masses --      6.3219                 6.3008                 6.2898
 Frc consts  --      7.2017                 7.1786                 7.1676
 IR Inten    --      6.1259                 1.4868                 3.6288
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.01   0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.01  -0.00    -0.00   0.01  -0.00
     3   6    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
     4   6     0.01   0.01  -0.00    -0.01  -0.01   0.00    -0.01  -0.01   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.01   0.00    -0.01   0.02  -0.00    -0.00   0.01  -0.00
     9   6     0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.00
    10   6     0.00  -0.00  -0.00    -0.00   0.01  -0.00     0.00   0.01  -0.00
    11   6     0.00  -0.00   0.00    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00   0.01   0.00     0.00   0.01   0.00    -0.00   0.00   0.00
    13   6     0.00  -0.00   0.00     0.01  -0.00   0.00     0.01  -0.00   0.00
    14   6     0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    15   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.00
    16   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.02   0.01
    17   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.02  -0.01
    18   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
    19   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.00   0.00
    20   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.01
    21   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.02  -0.01   0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.02   0.00   0.00
    23   6     0.01   0.01   0.01    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    24   6    -0.01   0.01   0.01    -0.01   0.01   0.01    -0.00   0.00   0.00
    25   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.02  -0.00
    26   6    -0.03  -0.03  -0.03    -0.04  -0.04  -0.03    -0.01  -0.01  -0.01
    27   6     0.03   0.01   0.01     0.03   0.01   0.01     0.01   0.00   0.00
    28   6    -0.02   0.04   0.01    -0.02   0.04   0.01    -0.00   0.01   0.00
    29   6    -0.02  -0.01  -0.01    -0.02  -0.02  -0.01    -0.01  -0.00  -0.00
    30   6     0.06   0.00   0.00     0.06   0.00   0.00     0.01   0.00   0.00
    31   6     0.03  -0.05  -0.01    -0.03   0.05   0.01    -0.01   0.01   0.00
    32   6    -0.02   0.02   0.00     0.02  -0.01  -0.00     0.01  -0.00  -0.00
    33   6     0.03   0.03   0.00    -0.03  -0.03  -0.00    -0.01  -0.01  -0.00
    34   6     0.02  -0.02   0.00    -0.02   0.02  -0.00    -0.00   0.01  -0.00
    35   6    -0.05   0.02  -0.01     0.05  -0.02   0.01     0.01  -0.00   0.00
    36   6    -0.00   0.00   0.00     0.02  -0.00  -0.01    -0.07   0.01   0.03
    37   6     0.00   0.00  -0.00    -0.01  -0.01   0.00     0.03   0.02  -0.02
    38   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.02  -0.05   0.01
    39   6    -0.00  -0.00   0.00     0.01   0.00  -0.00    -0.04  -0.00   0.01
    40   6     0.00   0.00  -0.00    -0.01  -0.01   0.00     0.05   0.05  -0.02
    41   7    -0.07  -0.08   0.04     0.07   0.08  -0.04     0.02   0.02  -0.01
    42   7     0.03  -0.11   0.03     0.03  -0.11   0.03     0.01  -0.02   0.01
    43   7    -0.00   0.00  -0.00     0.02  -0.03   0.02    -0.07   0.11  -0.09
    44   6    -0.08   0.11  -0.06    -0.08   0.11  -0.06    -0.02   0.03  -0.01
    45   6     0.12   0.09   0.04     0.12   0.09   0.04     0.03   0.02   0.01
    46   6    -0.14  -0.02  -0.06    -0.14  -0.02  -0.06    -0.03  -0.01  -0.01
    47   6     0.01   0.15  -0.02     0.01   0.15  -0.02     0.00   0.03  -0.01
    48   6     0.05   0.14  -0.06    -0.04  -0.13   0.05    -0.01  -0.03   0.01
    49   6     0.14  -0.08  -0.01    -0.13   0.07   0.01    -0.04   0.02   0.00
    50   6    -0.10   0.13  -0.02     0.09  -0.12   0.02     0.03  -0.03   0.00
    51   6     0.13   0.07  -0.05    -0.12  -0.06   0.05    -0.03  -0.02   0.01
    52   6     0.00  -0.00   0.00    -0.04   0.03  -0.02     0.15  -0.11   0.09
    53   6    -0.00  -0.00   0.00     0.04   0.02  -0.02    -0.16  -0.09   0.09
    54   6     0.01   0.00  -0.00    -0.05  -0.01   0.01     0.21   0.03  -0.04
    55   6     0.00  -0.00   0.00    -0.01   0.04  -0.04     0.02  -0.16   0.14
    56   6     0.06  -0.07   0.04     0.06  -0.07   0.04     0.01  -0.02   0.01
    57   6     0.07   0.12   0.01     0.07   0.12   0.01     0.02   0.03   0.00
    58   6    -0.12  -0.04  -0.05    -0.12  -0.04  -0.05    -0.03  -0.01  -0.01
    59   6     0.05  -0.07   0.04     0.05  -0.07   0.04     0.01  -0.02   0.01
    60   6    -0.00  -0.09   0.02    -0.00  -0.09   0.02    -0.00  -0.02   0.00
    61   6     0.12   0.06   0.05     0.12   0.06   0.05     0.03   0.01   0.01
    62   6    -0.11   0.04  -0.06    -0.12   0.04  -0.06    -0.03   0.01  -0.01
    63   6    -0.01  -0.10   0.01    -0.01  -0.10   0.01    -0.00  -0.02   0.00
    64   6    -0.03  -0.10   0.04     0.03   0.09  -0.04     0.01   0.03  -0.01
    65   6     0.14  -0.01  -0.03    -0.13   0.01   0.03    -0.04   0.00   0.01
    66   6    -0.11   0.10  -0.00     0.10  -0.09   0.00     0.03  -0.03   0.00
    67   6    -0.03  -0.08   0.04     0.03   0.08  -0.03     0.01   0.02  -0.01
    68   6    -0.08  -0.04   0.03     0.07   0.04  -0.03     0.02   0.01  -0.01
    69   6     0.11  -0.09   0.00    -0.10   0.08  -0.00    -0.03   0.02  -0.00
    70   6    -0.03   0.13  -0.04     0.02  -0.12   0.03     0.01  -0.03   0.01
    71   6    -0.09  -0.04   0.04     0.09   0.04  -0.03     0.02   0.01  -0.01
    72   6    -0.00   0.00  -0.00     0.03  -0.02   0.01    -0.11   0.08  -0.06
    73   6    -0.00  -0.00   0.00     0.02   0.03  -0.03    -0.08  -0.13   0.12
    74   6     0.00   0.00  -0.00    -0.05  -0.01   0.02     0.18   0.06  -0.06
    75   6    -0.00   0.00  -0.00     0.02  -0.02   0.01    -0.09   0.07  -0.06
    76   6    -0.00   0.00  -0.00     0.00  -0.02   0.02    -0.02   0.09  -0.08
    77   6    -0.00  -0.00   0.00     0.04   0.02  -0.02    -0.16  -0.06   0.07
    78   6     0.00  -0.00   0.00    -0.05   0.01  -0.01     0.18  -0.04   0.02
    79   6    -0.00   0.00  -0.00     0.00  -0.03   0.02    -0.01   0.11  -0.09
    80   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    81  15    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    82   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    83   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    84   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    85   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    86   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    87   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    88   1    -0.00   0.00  -0.00     0.01  -0.03   0.00     0.01  -0.02  -0.00
    89   1     0.00  -0.01   0.00    -0.01   0.02  -0.00    -0.00   0.01   0.00
    90   1     0.00  -0.00  -0.00    -0.04   0.01   0.00    -0.02   0.00   0.00
    91   1     0.00  -0.00  -0.00     0.02   0.03   0.01     0.01   0.02   0.00
    92   1     0.00  -0.00  -0.00    -0.04   0.00  -0.01    -0.02   0.00  -0.01
    93   1    -0.00  -0.01  -0.00    -0.01  -0.02  -0.01    -0.01  -0.01  -0.01
    94   1    -0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.01   0.00   0.00
    95   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.02  -0.02   0.02
    96   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.02   0.00  -0.00
    97   1     0.08   0.11   0.09     0.08   0.11   0.10     0.02   0.03   0.02
    98   1     0.03   0.02  -0.00     0.03   0.02  -0.00     0.01   0.00  -0.00
    99   1    -0.03  -0.01  -0.02    -0.02  -0.01  -0.02    -0.01  -0.00  -0.01
   100   1    -0.16   0.01   0.00    -0.16   0.01   0.00    -0.04   0.00   0.00
   101   1    -0.06   0.15   0.05     0.06  -0.14  -0.04     0.02  -0.04  -0.01
   102   1    -0.03   0.03  -0.01     0.03  -0.02   0.01     0.01  -0.01   0.01
   103   1     0.03  -0.02  -0.01    -0.03   0.02   0.01    -0.01   0.01   0.00
   104   1     0.15  -0.03   0.05    -0.14   0.03  -0.04    -0.04   0.01  -0.01
   105   1     0.00  -0.00  -0.00    -0.05   0.01   0.02     0.20  -0.05  -0.10
   106   1     0.00   0.00   0.00    -0.01  -0.00  -0.00     0.06   0.03  -0.00
   107   1    -0.00  -0.00   0.00     0.01   0.00  -0.01    -0.04  -0.01   0.03
   108   1    -0.00  -0.00   0.00     0.04   0.04  -0.01    -0.14  -0.16   0.03
   109   1     0.04  -0.05   0.03     0.04  -0.05   0.03     0.01  -0.01   0.01
   110   1    -0.06  -0.16   0.00    -0.06  -0.16   0.00    -0.01  -0.04   0.00
   111   1     0.22   0.00   0.10     0.22   0.00   0.10     0.05   0.00   0.02
   112   1     0.03  -0.04   0.02     0.03  -0.04   0.02     0.01  -0.01   0.00
   113   1    -0.00  -0.05   0.01    -0.00  -0.05   0.01    -0.00  -0.01   0.00
   114   1    -0.18  -0.16  -0.05    -0.18  -0.16  -0.05    -0.04  -0.04  -0.01
   115   1     0.13  -0.09   0.08     0.13  -0.09   0.08     0.03  -0.02   0.02
   116   1    -0.01  -0.07   0.01    -0.01  -0.07   0.01    -0.00  -0.02   0.00
   117   1    -0.01  -0.07   0.03     0.01   0.06  -0.03     0.00   0.02  -0.01
   118   1    -0.17  -0.02   0.05     0.16   0.02  -0.05     0.05   0.01  -0.01
   119   1     0.13  -0.22   0.04    -0.12   0.20  -0.03    -0.03   0.06  -0.01
   120   1    -0.02  -0.05   0.02     0.02   0.05  -0.02     0.01   0.01  -0.01
   121   1    -0.04  -0.02   0.02     0.04   0.02  -0.02     0.01   0.01  -0.01
   122   1    -0.23   0.09   0.03     0.22  -0.08  -0.02     0.06  -0.02  -0.01
   123   1     0.00  -0.17   0.06    -0.00   0.15  -0.05    -0.00   0.04  -0.01
   124   1    -0.06  -0.02   0.03     0.06   0.02  -0.03     0.02   0.01  -0.01
   125   1    -0.00   0.00  -0.00     0.02  -0.01   0.01    -0.08   0.04  -0.04
   126   1     0.00   0.00  -0.00    -0.01  -0.05   0.04     0.05   0.18  -0.17
   127   1    -0.01  -0.00   0.00     0.09   0.00  -0.01    -0.35  -0.01   0.04
   128   1    -0.00   0.00  -0.00     0.01  -0.01   0.01    -0.06   0.05  -0.04
   129   1    -0.00   0.00  -0.00     0.00  -0.01   0.01    -0.01   0.05  -0.05
   130   1     0.01   0.00  -0.00    -0.06  -0.05   0.04     0.22   0.18  -0.17
   131   1    -0.01   0.00  -0.00     0.06  -0.02   0.01    -0.21   0.07  -0.05
   132   1    -0.00   0.00  -0.00     0.00  -0.02   0.02     0.00   0.07  -0.07
   133   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   134   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
   135   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   136   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
   137   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   138   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   139   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   140   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   141   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   142   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   143  17    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                    307                    308                    309
                      A                      A                      A
 Frequencies --   1399.0656              1399.1564              1399.3203
 Red. masses --      5.5988                 5.4911                 5.4787
 Frc consts  --      6.4568                 6.3335                 6.3206
 IR Inten    --     60.6637               162.0142                17.9461
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
     2   6     0.00   0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.01  -0.01  -0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
     4   6     0.01  -0.01   0.00     0.01  -0.00   0.00    -0.01   0.01  -0.00
     5   6     0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.02   0.01  -0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.01   0.00  -0.00     0.01  -0.00   0.00
     8   6    -0.00  -0.00  -0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
     9   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
    10   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    11   6     0.00   0.00   0.00     0.01  -0.01   0.00    -0.00   0.01   0.00
    12   6     0.01   0.01   0.00    -0.02   0.01  -0.01     0.01  -0.01   0.00
    13   6     0.01  -0.00   0.00    -0.02  -0.00  -0.01     0.01   0.00   0.00
    14   6    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.01  -0.00
    15   7    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.00  -0.00   0.00
    16   6     0.00   0.00  -0.00     0.01   0.01  -0.00     0.01   0.01  -0.01
    17   6    -0.00  -0.01   0.00    -0.00  -0.01   0.01     0.00  -0.02   0.01
    18   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    19   6     0.00   0.00  -0.00     0.01   0.01  -0.00     0.01   0.01  -0.01
    20   6    -0.01  -0.00   0.00    -0.01  -0.01   0.01    -0.02  -0.01   0.01
    21   6    -0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.02  -0.01   0.01
    22   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.04  -0.03   0.00     0.02  -0.01   0.00    -0.02   0.01  -0.00
    24   6    -0.03  -0.01  -0.01     0.04   0.01   0.01    -0.02  -0.01  -0.01
    25   6     0.00   0.00  -0.00     0.03   0.01  -0.01     0.05   0.02  -0.02
    26   6    -0.03   0.01   0.01     0.05  -0.02  -0.02    -0.03   0.01   0.01
    27   6     0.05   0.00   0.00    -0.08  -0.00  -0.01     0.05   0.00   0.00
    28   6     0.09   0.04   0.03    -0.13  -0.06  -0.05     0.08   0.03   0.03
    29   6     0.03   0.03   0.02    -0.04  -0.04  -0.03     0.02   0.02   0.02
    30   6    -0.00  -0.02  -0.02    -0.01   0.03   0.03     0.00  -0.02  -0.02
    31   6     0.05   0.01   0.03     0.02   0.00   0.01    -0.02  -0.00  -0.01
    32   6    -0.08   0.03  -0.02    -0.04   0.01  -0.01     0.03  -0.01   0.01
    33   6    -0.14   0.12  -0.00    -0.06   0.05  -0.00     0.05  -0.04   0.00
    34   6    -0.04   0.07   0.01    -0.01   0.03   0.01     0.01  -0.02  -0.00
    35   6    -0.01  -0.05  -0.03    -0.01  -0.02  -0.01     0.00   0.02   0.01
    36   6     0.00   0.01   0.00     0.01   0.03   0.00     0.02   0.05   0.00
    37   6    -0.01  -0.01   0.00    -0.04  -0.03   0.01    -0.06  -0.05   0.02
    38   6    -0.02  -0.00   0.01    -0.10  -0.03   0.04    -0.16  -0.05   0.06
    39   6    -0.01   0.00   0.00    -0.04   0.00   0.02    -0.07   0.01   0.03
    40   6     0.00  -0.00  -0.00     0.02  -0.02  -0.01     0.03  -0.04  -0.02
    41   7     0.23  -0.20   0.01     0.10  -0.09   0.00    -0.09   0.07  -0.00
    42   7    -0.16  -0.06  -0.06     0.23   0.10   0.09    -0.13  -0.05  -0.05
    43   7     0.03   0.01  -0.01     0.17   0.06  -0.06     0.27   0.09  -0.10
    44   6     0.06   0.01   0.02    -0.09  -0.02  -0.03     0.05   0.01   0.02
    45   6     0.02  -0.03   0.01    -0.03   0.05  -0.02     0.01  -0.03   0.01
    46   6    -0.00   0.04  -0.01     0.00  -0.06   0.01    -0.00   0.03  -0.01
    47   6     0.05   0.03   0.02    -0.08  -0.05  -0.03     0.04   0.02   0.02
    48   6    -0.07   0.08  -0.00    -0.03   0.04  -0.00     0.03  -0.03   0.00
    49   6     0.03   0.05  -0.03     0.01   0.02  -0.01    -0.01  -0.02   0.01
    50   6    -0.05  -0.04   0.03    -0.02  -0.02   0.01     0.02   0.01  -0.01
    51   6    -0.09   0.06   0.00    -0.04   0.03  -0.00     0.03  -0.02   0.00
    52   6    -0.01  -0.00   0.00    -0.06  -0.01   0.02    -0.10  -0.02   0.03
    53   6    -0.00   0.00  -0.00    -0.03   0.02  -0.02    -0.04   0.04  -0.03
    54   6     0.00  -0.00   0.00     0.01  -0.03   0.03     0.01  -0.05   0.04
    55   6    -0.01  -0.00   0.00    -0.05  -0.03   0.02    -0.09  -0.04   0.04
    56   6     0.01  -0.06   0.01    -0.01   0.09  -0.02     0.01  -0.05   0.01
    57   6     0.02   0.05   0.00    -0.03  -0.08  -0.00     0.02   0.04  -0.00
    58   6    -0.06   0.01  -0.03     0.09  -0.02   0.04    -0.05   0.01  -0.02
    59   6     0.04  -0.06   0.03    -0.06   0.10  -0.05     0.03  -0.05   0.03
    60   6    -0.00   0.08  -0.02     0.00  -0.12   0.02    -0.00   0.07  -0.01
    61   6    -0.04  -0.05  -0.01     0.06   0.08   0.01    -0.03  -0.04  -0.01
    62   6     0.05  -0.02   0.03    -0.07   0.04  -0.04     0.04  -0.02   0.02
    63   6    -0.03   0.05  -0.02     0.04  -0.08   0.03    -0.02   0.04  -0.02
    64   6     0.08   0.06  -0.04     0.03   0.03  -0.02    -0.03  -0.02   0.02
    65   6    -0.09  -0.01   0.03    -0.04  -0.00   0.01     0.03   0.00  -0.01
    66   6     0.04  -0.11   0.03     0.02  -0.05   0.01    -0.01   0.04  -0.01
    67   6     0.05   0.12  -0.05     0.02   0.05  -0.02    -0.02  -0.04   0.02
    68   6    -0.11  -0.07   0.05    -0.05  -0.03   0.02     0.04   0.03  -0.02
    69   6     0.11  -0.02  -0.02     0.05  -0.01  -0.01    -0.04   0.01   0.01
    70   6    -0.01   0.09  -0.03    -0.00   0.04  -0.01     0.00  -0.03   0.01
    71   6    -0.05  -0.09   0.04    -0.02  -0.04   0.02     0.02   0.03  -0.02
    72   6    -0.00   0.01  -0.01    -0.02   0.05  -0.04    -0.03   0.08  -0.07
    73   6    -0.00  -0.01   0.01    -0.02  -0.04   0.04    -0.02  -0.06   0.06
    74   6     0.01  -0.00   0.00     0.07  -0.01   0.00     0.11  -0.01   0.00
    75   6    -0.01   0.01  -0.01    -0.06   0.05  -0.04    -0.09   0.08  -0.06
    76   6     0.00  -0.01   0.01     0.02  -0.06   0.06     0.03  -0.10   0.09
    77   6     0.01   0.01  -0.01     0.04   0.04  -0.04     0.05   0.07  -0.07
    78   6    -0.01   0.00  -0.00    -0.06   0.02  -0.01    -0.09   0.03  -0.02
    79   6     0.01  -0.01   0.01     0.04  -0.04   0.03     0.06  -0.07   0.05
    80   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    81  15     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    82   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    83   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    84   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    85   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    86   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    87   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    88   1     0.00   0.00  -0.01    -0.00   0.03  -0.00    -0.00  -0.00   0.00
    89   1     0.03  -0.04   0.00     0.02  -0.02   0.00    -0.01   0.01  -0.00
    90   1     0.06  -0.01   0.01     0.05  -0.00   0.00    -0.03   0.00  -0.00
    91   1    -0.00  -0.01  -0.01    -0.01  -0.03  -0.00     0.00   0.01  -0.00
    92   1    -0.02   0.00   0.00     0.09  -0.02   0.02    -0.04   0.01  -0.01
    93   1    -0.02  -0.02  -0.01     0.05   0.04   0.03    -0.02  -0.02  -0.02
    94   1     0.00   0.00  -0.00     0.03   0.01  -0.01     0.05   0.01  -0.02
    95   1     0.01   0.02  -0.01     0.03   0.04  -0.02     0.04   0.06  -0.03
    96   1    -0.01   0.00  -0.00    -0.01   0.00  -0.01    -0.00   0.00  -0.01
    97   1    -0.10  -0.07  -0.06     0.15   0.10   0.10    -0.09  -0.06  -0.05
    98   1    -0.13   0.01   0.00     0.22  -0.02  -0.00    -0.13   0.01   0.00
    99   1    -0.06  -0.09  -0.07     0.08   0.13   0.10    -0.04  -0.07  -0.05
   100   1    -0.13  -0.03  -0.02     0.20   0.04   0.03    -0.11  -0.02  -0.02
   101   1     0.15  -0.18  -0.03     0.07  -0.08  -0.01    -0.06   0.07   0.01
   102   1     0.22  -0.04   0.06     0.11  -0.02   0.03    -0.09   0.02  -0.03
   103   1     0.07  -0.20  -0.05     0.03  -0.08  -0.02    -0.02   0.07   0.02
   104   1     0.20  -0.12   0.04     0.09  -0.05   0.02    -0.08   0.04  -0.01
   105   1     0.02   0.00  -0.01     0.13   0.01  -0.06     0.20   0.02  -0.09
   106   1     0.01   0.02  -0.00     0.09   0.11  -0.02     0.13   0.18  -0.04
   107   1     0.02  -0.01  -0.01     0.11  -0.04  -0.05     0.19  -0.06  -0.08
   108   1     0.02   0.01  -0.01     0.12   0.07  -0.03     0.19   0.12  -0.05
   109   1    -0.10   0.11  -0.06     0.16  -0.16   0.10    -0.09   0.09  -0.06
   110   1    -0.02  -0.04  -0.00     0.03   0.05   0.00    -0.02  -0.03  -0.00
   111   1    -0.00   0.02  -0.01     0.01  -0.03   0.01    -0.01   0.02  -0.01
   112   1    -0.05   0.07  -0.03     0.08  -0.11   0.05    -0.05   0.07  -0.03
   113   1    -0.00  -0.09   0.01    -0.00   0.14  -0.02     0.00  -0.08   0.01
   114   1     0.01  -0.02   0.01    -0.01   0.03  -0.01     0.01  -0.02   0.01
   115   1    -0.04   0.01  -0.02     0.05  -0.02   0.03    -0.03   0.01  -0.01
   116   1    -0.02  -0.16   0.02     0.04   0.24  -0.03    -0.02  -0.14   0.02
   117   1    -0.06  -0.26   0.10    -0.03  -0.11   0.04     0.02   0.10  -0.04
   118   1     0.07  -0.00  -0.02     0.03  -0.00  -0.01    -0.02   0.00   0.01
   119   1    -0.03  -0.02   0.02    -0.01  -0.01   0.01     0.01   0.01  -0.01
   120   1    -0.06  -0.15   0.06    -0.03  -0.06   0.03     0.02   0.06  -0.02
   121   1     0.14   0.08  -0.06     0.06   0.04  -0.03    -0.05  -0.03   0.02
   122   1     0.02   0.03  -0.02     0.01   0.01  -0.01    -0.01  -0.01   0.01
   123   1     0.01  -0.07   0.02     0.01  -0.03   0.01    -0.01   0.02  -0.01
   124   1     0.25   0.09  -0.09     0.11   0.04  -0.04    -0.10  -0.04   0.04
   125   1     0.02  -0.01   0.01     0.14  -0.08   0.06     0.23  -0.13   0.10
   126   1     0.00   0.00  -0.00     0.02   0.03  -0.03     0.03   0.04  -0.04
   127   1     0.00  -0.00   0.00     0.01  -0.02   0.02     0.03  -0.03   0.03
   128   1     0.01  -0.01   0.01     0.07  -0.06   0.04     0.12  -0.10   0.07
   129   1    -0.00   0.01  -0.01    -0.02   0.08  -0.07    -0.03   0.13  -0.11
   130   1    -0.00   0.00  -0.00    -0.01   0.02  -0.02    -0.02   0.03  -0.03
   131   1     0.01  -0.00   0.00     0.04  -0.01   0.01     0.06  -0.01   0.01
   132   1    -0.00   0.02  -0.02    -0.00   0.13  -0.11    -0.00   0.21  -0.19
   133   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
   134   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.01
   135   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   136   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
   137   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   138   1     0.00  -0.01  -0.00    -0.00   0.01   0.00     0.00  -0.01  -0.00
   139   1     0.00  -0.01  -0.00    -0.00   0.01   0.00     0.00  -0.02  -0.00
   140   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
   141   1     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.01
   142   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
   143  17     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
                    310                    311                    312
                      A                      A                      A
 Frequencies --   1405.4966              1409.7695              1433.7807
 Red. masses --      1.2288                 1.2402                 3.6020
 Frc consts  --      1.4302                 1.4523                 4.3627
 IR Inten    --      6.4468                 8.8673                16.7839
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.08   0.01
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.05  -0.01
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.06   0.01
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.06   0.01  -0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.04   0.03  -0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.01   0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.18  -0.11  -0.06
     8   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.05   0.04   0.02
     9   6    -0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.01  -0.03   0.00
    10   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.01  -0.01
    11   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.11  -0.03   0.04
    12   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.19   0.02
    13   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.08  -0.07  -0.04
    14   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.06   0.02   0.03
    15   7     0.00  -0.00  -0.00    -0.01   0.00  -0.00    -0.00   0.01  -0.00
    16   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.00
    17   6    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.02  -0.01   0.01
    18   7     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    19   6     0.01   0.00  -0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    20   6    -0.00   0.00   0.00     0.01   0.00  -0.00    -0.01   0.00   0.00
    21   6    -0.00  -0.01   0.00     0.00   0.01  -0.00     0.01  -0.01   0.00
    22   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.01
    23   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03   0.01  -0.01
    24   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.05   0.01   0.03
    25   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.01  -0.00
    26   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.10   0.02   0.02
    27   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.14  -0.03  -0.03
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.03   0.02
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.14   0.07   0.06
    30   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.11  -0.06  -0.05
    31   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01   0.00   0.01
    32   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.02   0.01  -0.01
    33   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.02  -0.01
    34   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.03  -0.02   0.00
    35   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.02  -0.00
    36   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    37   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.01   0.01
    38   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    39   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.02   0.00  -0.01
    40   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01  -0.00   0.01
    41   7     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
    42   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.04  -0.01
    43   7     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    44   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    45   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    46   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.01  -0.01
    47   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    48   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    49   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    50   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    51   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    52   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    53   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    54   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    55   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    56   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
    57   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.01   0.00
    58   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.02  -0.00  -0.01
    59   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    60   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01   0.01  -0.00
    61   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.02   0.01   0.01
    62   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    63   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01  -0.01  -0.00
    64   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    65   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    66   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    67   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    68   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    69   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
    70   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    71   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    72   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    73   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    74   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    75   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    76   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    77   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    78   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    79   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    80   8     0.01   0.00  -0.01    -0.03  -0.00   0.01     0.00   0.00  -0.00
    81  15    -0.01   0.01   0.01     0.02  -0.00  -0.00    -0.00  -0.00   0.00
    82   8     0.00  -0.01  -0.01     0.00  -0.02  -0.02    -0.00   0.00   0.00
    83   8    -0.00  -0.02   0.02    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    84   6    -0.01  -0.00  -0.02    -0.04  -0.01  -0.07     0.00  -0.00   0.01
    85   6    -0.02   0.01  -0.01    -0.07   0.04  -0.04    -0.01   0.00  -0.01
    86   6     0.02  -0.09  -0.03    -0.00   0.03   0.01     0.00  -0.01  -0.00
    87   6     0.02  -0.02  -0.07    -0.01   0.01   0.02    -0.00   0.01   0.01
    88   1     0.00  -0.00  -0.00    -0.00   0.01  -0.00     0.04  -0.06   0.03
    89   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.03  -0.18   0.02
    90   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.06  -0.02  -0.00
    91   1     0.01   0.01   0.00     0.00   0.00   0.00    -0.01  -0.24  -0.04
    92   1    -0.01   0.00  -0.00     0.00   0.00   0.00     0.42  -0.14   0.10
    93   1    -0.01  -0.01  -0.01     0.00   0.00   0.00    -0.01  -0.10  -0.02
    94   1     0.01   0.00   0.00    -0.01   0.00   0.01    -0.02   0.01   0.00
    95   1    -0.00   0.00  -0.00    -0.00  -0.01   0.00     0.02   0.04  -0.02
    96   1    -0.02   0.00   0.00     0.03  -0.00  -0.00    -0.01   0.02  -0.01
    97   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.13  -0.10
    98   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.41  -0.04  -0.04
    99   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.10  -0.25  -0.22
   100   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.24  -0.08  -0.04
   101   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01   0.01   0.01
   102   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.10  -0.02   0.04
   103   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.05   0.03
   104   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.08   0.00   0.03
   105   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.01
   106   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.03   0.04  -0.00
   107   1    -0.01   0.00   0.00     0.01  -0.00  -0.00    -0.03   0.02   0.02
   108   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.03  -0.00
   109   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.03  -0.01
   110   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.01   0.03   0.00
   111   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.05   0.01   0.02
   112   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
   113   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.05   0.01
   114   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.06  -0.05  -0.02
   115   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.03   0.01  -0.01
   116   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01   0.00  -0.00
   117   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.01  -0.00
   118   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
   119   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.02  -0.00
   120   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.02  -0.01
   121   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   122   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.00
   123   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
   124   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
   125   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
   126   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
   127   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
   128   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   129   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   130   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.00  -0.00
   131   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   132   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
   133   1     0.07   0.04   0.15     0.21   0.10   0.43    -0.01  -0.01  -0.03
   134   1     0.05   0.02   0.14     0.16   0.06   0.44    -0.01  -0.01  -0.03
   135   1     0.11  -0.07   0.05     0.36  -0.21   0.16     0.03  -0.02   0.01
   136   1     0.09   0.02   0.05     0.30   0.06   0.16     0.02   0.01   0.03
   137   1     0.04  -0.05   0.08     0.13  -0.16   0.28     0.01  -0.00   0.04
   138   1    -0.09   0.52   0.08     0.03  -0.13  -0.02    -0.01   0.04   0.00
   139   1    -0.06   0.54   0.08     0.02  -0.16  -0.03    -0.00   0.04   0.00
   140   1     0.08   0.18   0.20    -0.02  -0.06  -0.06    -0.00  -0.04  -0.01
   141   1    -0.09   0.15   0.34     0.03  -0.05  -0.11     0.01  -0.01  -0.04
   142   1    -0.19   0.16   0.14     0.06  -0.06  -0.05     0.01  -0.04  -0.01
   143  17     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
                    313                    314                    315
                      A                      A                      A
 Frequencies --   1435.8945              1437.1695              1437.3336
 Red. masses --      1.3290                 1.4421                 2.9038
 Frc consts  --      1.6144                 1.7549                 3.5346
 IR Inten    --     16.7666                16.1085                22.4507
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.01   0.03  -0.00     0.03   0.11  -0.02
     2   6    -0.00   0.00  -0.00    -0.03   0.01   0.00    -0.10   0.04   0.00
     3   6     0.00   0.00   0.00     0.03  -0.03   0.00     0.12  -0.12   0.01
     4   6     0.00  -0.00  -0.00    -0.00   0.01  -0.00    -0.03   0.04  -0.01
     5   6    -0.00   0.00  -0.00    -0.02   0.01  -0.00    -0.07   0.06  -0.01
     6   6     0.00  -0.00   0.00     0.02  -0.02   0.00     0.07  -0.09   0.01
     7   6    -0.01  -0.00  -0.00    -0.02  -0.00  -0.00    -0.03   0.01  -0.01
     8   6     0.00   0.00   0.00    -0.00   0.01  -0.00    -0.02   0.03  -0.01
     9   6     0.00  -0.00  -0.00     0.01  -0.00  -0.00     0.00  -0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.03   0.01
    11   6     0.01  -0.00   0.00     0.01   0.01   0.01     0.04   0.04   0.02
    12   6    -0.00   0.01   0.00    -0.00   0.00  -0.00    -0.02  -0.01  -0.01
    13   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01    -0.05  -0.02  -0.02
    14   6     0.00   0.00   0.00     0.02   0.00   0.01     0.06   0.02   0.02
    15   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    16   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.02  -0.00   0.01
    17   6     0.01  -0.00  -0.00     0.03   0.00  -0.01     0.05   0.01  -0.02
    18   7    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.01   0.01  -0.00
    19   6    -0.01  -0.00   0.00    -0.01  -0.00   0.00    -0.02  -0.01   0.01
    20   6     0.01  -0.00  -0.00     0.01   0.00  -0.00     0.03   0.00  -0.01
    21   6    -0.00   0.01  -0.00    -0.01   0.01  -0.00    -0.03   0.02  -0.00
    22   6    -0.01  -0.00   0.00    -0.01  -0.01   0.01    -0.02  -0.02   0.01
    23   6    -0.00   0.00   0.00     0.01   0.00   0.01     0.03   0.01   0.03
    24   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    25   6    -0.00   0.00   0.00     0.00   0.01   0.00     0.00   0.01   0.00
    26   6     0.01   0.00   0.00     0.01   0.00   0.00     0.01   0.01   0.01
    27   6    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    28   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    29   6     0.01   0.00   0.00     0.01   0.00   0.00     0.00   0.01   0.01
    30   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   6    -0.00   0.00  -0.00    -0.02   0.01  -0.00    -0.08   0.04  -0.01
    32   6     0.00  -0.00   0.00     0.03  -0.02   0.00     0.11  -0.06   0.01
    33   6     0.00  -0.00  -0.00     0.00   0.01   0.00     0.01   0.03   0.01
    34   6    -0.00   0.00   0.00    -0.02   0.02   0.00    -0.09   0.09   0.00
    35   6     0.00  -0.00  -0.00     0.02  -0.02  -0.00     0.08  -0.08  -0.01
    36   6    -0.01  -0.00   0.00    -0.01  -0.01   0.00    -0.02  -0.01   0.01
    37   6     0.01   0.00  -0.00     0.01   0.01  -0.00     0.03   0.02  -0.01
    38   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    39   6    -0.01  -0.00   0.00    -0.02  -0.00   0.01    -0.03  -0.01   0.01
    40   6     0.01   0.00  -0.00     0.01   0.00  -0.01     0.03   0.01  -0.01
    41   7    -0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.01  -0.03   0.00
    42   7     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    43   7     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
    44   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    45   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    46   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    47   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    48   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    49   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    50   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    51   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
    52   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    53   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    54   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    55   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    56   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    57   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    58   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    59   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    60   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    61   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    62   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    63   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    64   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    65   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    66   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    67   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    68   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    69   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.00
    70   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    71   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.01
    72   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    73   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    74   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    75   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    76   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    77   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    78   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    79   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    80   8    -0.01  -0.00   0.01    -0.01  -0.00   0.01     0.01   0.00  -0.00
    81  15     0.01  -0.00  -0.01     0.01   0.00   0.00    -0.01   0.00  -0.00
    82   8     0.00  -0.00  -0.00     0.01  -0.02  -0.02    -0.00   0.01   0.01
    83   8     0.00   0.02  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    84   6    -0.01   0.00  -0.01    -0.06   0.00  -0.08     0.03  -0.00   0.04
    85   6     0.01  -0.00   0.01     0.07  -0.01   0.10    -0.04   0.00  -0.05
    86   6    -0.02   0.08   0.04     0.00  -0.01  -0.01     0.00  -0.00  -0.00
    87   6     0.03  -0.11  -0.08    -0.01   0.02   0.01     0.00  -0.00  -0.00
    88   1    -0.00  -0.00   0.00    -0.01  -0.06  -0.00    -0.02  -0.24  -0.00
    89   1    -0.00  -0.00   0.00    -0.00  -0.03   0.01    -0.01  -0.14   0.03
    90   1    -0.00   0.00   0.00    -0.08  -0.00   0.00    -0.33  -0.02   0.01
    91   1    -0.00  -0.01  -0.00    -0.01  -0.03  -0.00    -0.06  -0.10  -0.01
    92   1     0.02  -0.01   0.00     0.03  -0.01   0.01     0.07  -0.04   0.01
    93   1    -0.00  -0.01  -0.00    -0.02  -0.05  -0.02    -0.08  -0.18  -0.07
    94   1     0.00  -0.01  -0.00     0.02  -0.01   0.00     0.05  -0.02  -0.01
    95   1    -0.00  -0.01   0.01    -0.01  -0.03   0.02    -0.03  -0.07   0.04
    96   1     0.02  -0.01  -0.00     0.03  -0.01  -0.00     0.04  -0.03   0.00
    97   1    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01    -0.01  -0.02  -0.02
    98   1     0.02  -0.00  -0.00     0.02  -0.00  -0.00     0.01  -0.01  -0.00
    99   1    -0.01  -0.01  -0.01    -0.01  -0.02  -0.01    -0.02  -0.02  -0.02
   100   1     0.01  -0.00  -0.00     0.01  -0.00  -0.00    -0.00  -0.00  -0.00
   101   1     0.00  -0.00  -0.00    -0.00  -0.03  -0.02    -0.01  -0.15  -0.07
   102   1    -0.00   0.00  -0.00    -0.07   0.01  -0.03    -0.31   0.04  -0.12
   103   1     0.00  -0.00  -0.00     0.01  -0.06  -0.02     0.06  -0.27  -0.11
   104   1    -0.00  -0.00  -0.00    -0.05  -0.01  -0.02    -0.20  -0.02  -0.08
   105   1     0.01  -0.01  -0.00     0.02  -0.01  -0.01     0.03  -0.03  -0.02
   106   1    -0.01  -0.02   0.00    -0.02  -0.04   0.00    -0.06  -0.08   0.01
   107   1     0.02  -0.01  -0.01     0.03  -0.02  -0.02     0.06  -0.03  -0.04
   108   1    -0.00  -0.01  -0.00    -0.01  -0.03   0.00    -0.03  -0.06   0.00
   109   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
   110   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   111   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
   112   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   113   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
   114   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   115   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   116   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
   117   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
   118   1     0.00   0.00  -0.00     0.01  -0.00  -0.00     0.03  -0.00  -0.01
   119   1    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.03  -0.05   0.01
   120   1     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.01  -0.03   0.02
   121   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.01
   122   1    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.04   0.02   0.00
   123   1    -0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00   0.03  -0.01
   124   1    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.02   0.02  -0.01
   125   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   126   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
   127   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.02   0.00  -0.00
   128   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
   129   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   130   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
   131   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.00
   132   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.01
   133   1     0.02   0.01   0.05     0.15   0.11   0.39    -0.08  -0.06  -0.22
   134   1     0.02   0.01   0.06     0.12   0.08   0.40    -0.07  -0.05  -0.22
   135   1    -0.04   0.03  -0.01    -0.36   0.23  -0.10     0.19  -0.12   0.05
   136   1    -0.02  -0.01  -0.04    -0.20  -0.09  -0.34     0.11   0.05   0.19
   137   1    -0.02  -0.01  -0.04    -0.14  -0.02  -0.39     0.08   0.01   0.21
   138   1     0.04  -0.35  -0.02    -0.01   0.07   0.01    -0.00   0.00   0.00
   139   1     0.04  -0.36  -0.01    -0.01   0.05   0.00    -0.00   0.01   0.01
   140   1    -0.00   0.44   0.15     0.00  -0.06  -0.02     0.00   0.01   0.00
   141   1    -0.12   0.12   0.48     0.02  -0.02  -0.07    -0.01   0.00   0.01
   142   1    -0.15   0.43   0.12     0.02  -0.06  -0.02    -0.01   0.01   0.01
   143  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
                    316                    317                    318
                      A                      A                      A
 Frequencies --   1443.1656              1462.3859              1467.5403
 Red. masses --      3.4225                 3.2567                 3.5908
 Frc consts  --      4.1998                 4.1035                 4.5564
 IR Inten    --      1.7528                10.5747                 4.5306
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.01    -0.05  -0.07  -0.00     0.04   0.15  -0.00
     2   6     0.02  -0.02   0.00     0.06  -0.04   0.00    -0.06  -0.02   0.00
     3   6    -0.02   0.04  -0.00    -0.04   0.06  -0.01     0.06  -0.11   0.00
     4   6     0.03  -0.02   0.00    -0.03  -0.06   0.01    -0.03   0.07  -0.01
     5   6     0.03  -0.04   0.00     0.06  -0.02   0.00    -0.02  -0.03   0.00
     6   6    -0.02   0.04  -0.00    -0.05   0.06  -0.00     0.04  -0.04   0.00
     7   6    -0.01  -0.01  -0.00     0.06   0.05   0.02     0.07   0.07   0.03
     8   6     0.01  -0.01   0.00     0.02  -0.08  -0.00    -0.04  -0.04  -0.02
     9   6     0.01   0.00  -0.00    -0.00   0.02  -0.00     0.02   0.03  -0.01
    10   6    -0.05   0.03  -0.00    -0.01   0.01   0.00     0.01  -0.04   0.01
    11   6    -0.00  -0.02  -0.00    -0.07  -0.02  -0.02    -0.03   0.05  -0.01
    12   6     0.01   0.02   0.00     0.03  -0.09  -0.01    -0.00  -0.14  -0.03
    13   6     0.01   0.00   0.00     0.07   0.04   0.03     0.03   0.02   0.01
    14   6    -0.01  -0.01  -0.01    -0.06   0.01  -0.02     0.01   0.04   0.01
    15   7     0.01  -0.01   0.00    -0.01  -0.01   0.00     0.01  -0.01   0.00
    16   6    -0.03  -0.02   0.02     0.00  -0.00  -0.00    -0.03   0.02  -0.00
    17   6     0.18   0.05  -0.06    -0.01   0.01  -0.00     0.06   0.00  -0.01
    18   7    -0.03   0.01   0.00     0.02  -0.01  -0.00    -0.01   0.01  -0.00
    19   6    -0.09  -0.01   0.03     0.00  -0.00  -0.00    -0.00  -0.02   0.01
    20   6     0.09   0.01  -0.02    -0.00   0.00   0.00     0.03   0.00  -0.01
    21   6    -0.09   0.05  -0.01    -0.00  -0.00   0.00    -0.04   0.05  -0.01
    22   6    -0.06  -0.06   0.04     0.00  -0.00   0.00    -0.02  -0.03   0.02
    23   6    -0.01  -0.01  -0.01     0.05   0.06   0.04    -0.04  -0.07  -0.04
    24   6    -0.01   0.00   0.00    -0.04   0.08   0.05    -0.03   0.07   0.04
    25   6     0.00   0.08   0.02     0.00   0.00  -0.00     0.02  -0.04  -0.01
    26   6     0.01   0.00   0.00     0.11   0.03   0.03     0.10   0.04   0.03
    27   6    -0.02  -0.00  -0.00    -0.08  -0.05  -0.05    -0.06  -0.05  -0.05
    28   6    -0.00   0.01   0.01    -0.05   0.06   0.05    -0.05   0.05   0.04
    29   6     0.02   0.01   0.00     0.10   0.03   0.02     0.08   0.02   0.02
    30   6    -0.02  -0.01  -0.01    -0.09  -0.05  -0.05    -0.06  -0.04  -0.04
    31   6     0.04  -0.02   0.00    -0.08   0.05  -0.01     0.09  -0.07   0.00
    32   6    -0.04   0.03  -0.00     0.06  -0.07  -0.01    -0.05   0.08   0.02
    33   6    -0.01  -0.01  -0.01     0.05   0.06   0.04    -0.06  -0.05  -0.04
    34   6     0.04  -0.04  -0.00    -0.08   0.05  -0.01     0.07  -0.05   0.01
    35   6    -0.03   0.03   0.00     0.07  -0.07  -0.01    -0.05   0.07   0.01
    36   6    -0.11  -0.07   0.03     0.00  -0.00  -0.00     0.05   0.02  -0.02
    37   6     0.14   0.07  -0.05     0.00   0.00  -0.00    -0.04  -0.00   0.02
    38   6    -0.03   0.05   0.02    -0.00   0.00   0.00     0.01  -0.04  -0.01
    39   6    -0.16  -0.05   0.06    -0.00  -0.00  -0.00     0.04   0.02  -0.01
    40   6     0.14   0.03  -0.06     0.00   0.00  -0.00    -0.04  -0.00   0.02
    41   7     0.01   0.01  -0.00    -0.02  -0.02  -0.00     0.02   0.01   0.00
    42   7    -0.00  -0.01  -0.00     0.01  -0.03  -0.00     0.02  -0.02  -0.00
    43   7     0.02  -0.03   0.01     0.00  -0.00  -0.00    -0.00   0.01  -0.00
    44   6     0.00   0.00  -0.00     0.01   0.01   0.00     0.01   0.00   0.00
    45   6     0.00   0.00   0.00     0.00   0.02  -0.00     0.00   0.02  -0.00
    46   6    -0.00   0.00  -0.00    -0.01   0.01  -0.01    -0.01   0.01  -0.01
    47   6    -0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    48   6    -0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.00   0.01  -0.00
    49   6    -0.00  -0.00   0.00     0.02   0.00  -0.00    -0.02   0.00   0.00
    50   6     0.00  -0.00   0.00     0.00   0.01  -0.00    -0.01  -0.01   0.01
    51   6    -0.00  -0.00   0.00    -0.01   0.01  -0.00     0.01  -0.01   0.00
    52   6     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    53   6     0.00   0.01  -0.01     0.00   0.00  -0.00    -0.00  -0.01   0.01
    54   6    -0.02   0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.00   0.00
    55   6    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    56   6     0.00  -0.00   0.00     0.02  -0.01   0.01     0.01  -0.01   0.01
    57   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    58   6    -0.00  -0.00  -0.00    -0.03  -0.00  -0.01    -0.02  -0.00  -0.01
    59   6     0.00  -0.00   0.00     0.01   0.01   0.00     0.01   0.01   0.00
    60   6    -0.00   0.00  -0.00    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00
    61   6     0.00   0.00   0.00     0.02   0.02   0.01     0.02   0.02   0.00
    62   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    63   6    -0.00  -0.00  -0.00    -0.01  -0.02   0.00    -0.01  -0.02   0.00
    64   6    -0.00   0.01  -0.00    -0.00  -0.02   0.01     0.00   0.02  -0.01
    65   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    66   6     0.01  -0.01   0.00    -0.01   0.02  -0.00     0.01  -0.02   0.00
    67   6    -0.00   0.00   0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
    68   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.01  -0.01   0.00
    69   6    -0.01   0.00   0.00     0.02  -0.01  -0.00    -0.02   0.01   0.00
    70   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    71   6     0.01   0.00  -0.00    -0.02  -0.00   0.01     0.02  -0.00  -0.00
    72   6     0.02  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    73   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    74   6    -0.02  -0.01   0.01    -0.00  -0.00   0.00     0.01   0.00  -0.00
    75   6     0.00   0.01  -0.01     0.00   0.00  -0.00    -0.01  -0.00   0.00
    76   6    -0.01  -0.00   0.00    -0.00   0.00  -0.00     0.01   0.00  -0.00
    77   6     0.02   0.01  -0.01     0.00   0.00  -0.00    -0.01  -0.01   0.01
    78   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    79   6    -0.00  -0.02   0.01    -0.00  -0.00   0.00     0.00   0.01  -0.01
    80   8     0.01  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    81  15    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    82   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    83   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    84   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    85   6    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    86   6     0.00  -0.01  -0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    87   6    -0.00   0.01   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
    88   1    -0.02   0.11   0.00    -0.02   0.20  -0.02    -0.05  -0.09  -0.00
    89   1    -0.02   0.11  -0.02     0.02   0.12  -0.02    -0.07   0.08  -0.01
    90   1     0.05   0.03  -0.00     0.21   0.01  -0.01    -0.30   0.02   0.02
    91   1     0.03   0.02   0.01     0.08   0.20   0.03    -0.04   0.07   0.01
    92   1     0.01   0.00   0.00    -0.23   0.09  -0.06    -0.24   0.06  -0.07
    93   1     0.03   0.05   0.02     0.02   0.13   0.03    -0.10  -0.10  -0.07
    94   1     0.20  -0.06  -0.03    -0.01   0.00   0.00     0.01  -0.02   0.01
    95   1    -0.09  -0.21   0.11    -0.00   0.00   0.00    -0.05  -0.10   0.06
    96   1     0.07  -0.10   0.02    -0.02   0.00   0.00     0.06  -0.04   0.01
    97   1    -0.00  -0.02  -0.02    -0.07  -0.21  -0.18    -0.09  -0.20  -0.18
    98   1     0.05  -0.01  -0.01     0.24  -0.07  -0.06     0.15  -0.06  -0.06
    99   1    -0.01  -0.03  -0.03    -0.06  -0.19  -0.17    -0.07  -0.17  -0.15
   100   1     0.04  -0.01  -0.01     0.25  -0.06  -0.05     0.18  -0.05  -0.05
   101   1    -0.00   0.08   0.03     0.03  -0.23  -0.10    -0.05   0.27   0.11
   102   1     0.11  -0.01   0.05    -0.21  -0.01  -0.10     0.16   0.04   0.09
   103   1    -0.02   0.11   0.04     0.02  -0.21  -0.09    -0.04   0.23   0.09
   104   1     0.08   0.01   0.04    -0.22  -0.01  -0.10     0.18   0.01   0.09
   105   1     0.18  -0.15  -0.10    -0.00  -0.00  -0.00    -0.11   0.06   0.06
   106   1    -0.24  -0.37   0.03    -0.00  -0.00   0.00     0.03   0.09   0.01
   107   1     0.30  -0.17  -0.17    -0.00  -0.00   0.00    -0.09   0.05   0.05
   108   1    -0.13  -0.30   0.01    -0.00  -0.00   0.00     0.05   0.09   0.00
   109   1    -0.00   0.01  -0.00    -0.01   0.03  -0.01    -0.00   0.03  -0.01
   110   1     0.00   0.00   0.00     0.03   0.06   0.00     0.03   0.05   0.00
   111   1     0.01   0.00   0.00     0.08   0.01   0.03     0.07   0.01   0.03
   112   1     0.00  -0.00   0.00     0.02  -0.01   0.01     0.02  -0.01   0.01
   113   1    -0.00  -0.01   0.00    -0.01  -0.01  -0.00    -0.01   0.01  -0.01
   114   1    -0.01  -0.01  -0.00    -0.06  -0.04  -0.02    -0.05  -0.03  -0.02
   115   1    -0.00   0.00  -0.00    -0.05   0.02  -0.03    -0.05   0.02  -0.03
   116   1    -0.00   0.00  -0.00    -0.01   0.04  -0.01    -0.01   0.05  -0.01
   117   1    -0.01  -0.00   0.00     0.02   0.03  -0.02    -0.03  -0.05   0.02
   118   1    -0.01   0.00   0.00     0.05   0.00  -0.01    -0.06  -0.00   0.02
   119   1    -0.02   0.02  -0.00     0.04  -0.05   0.01    -0.04   0.05  -0.00
   120   1     0.00   0.01  -0.01     0.01  -0.01   0.00    -0.02  -0.01   0.01
   121   1     0.01   0.00  -0.00    -0.02   0.00   0.01     0.03  -0.00  -0.01
   122   1     0.02  -0.01  -0.00    -0.07   0.04   0.00     0.07  -0.04  -0.00
   123   1     0.00  -0.01   0.00    -0.01   0.05  -0.02     0.01  -0.06   0.02
   124   1    -0.01  -0.01   0.00     0.02   0.02  -0.01    -0.01  -0.02   0.01
   125   1    -0.00   0.02  -0.01    -0.00   0.00  -0.00     0.01  -0.02   0.01
   126   1     0.02   0.03  -0.03     0.00   0.00  -0.00    -0.01  -0.02   0.02
   127   1     0.09   0.01  -0.02     0.00   0.00  -0.00    -0.03  -0.01   0.01
   128   1     0.04  -0.02   0.02    -0.00   0.00  -0.00    -0.00  -0.00   0.00
   129   1    -0.01  -0.02   0.02     0.00  -0.00   0.00     0.01   0.01  -0.01
   130   1    -0.06  -0.04   0.04    -0.00  -0.00   0.00     0.03   0.02  -0.02
   131   1    -0.04   0.01  -0.01    -0.00   0.00  -0.00     0.03  -0.01   0.00
   132   1    -0.01   0.03  -0.02    -0.00   0.00   0.00     0.01  -0.01   0.01
   133   1    -0.03  -0.02  -0.07    -0.00  -0.00  -0.00     0.00  -0.00  -0.01
   134   1    -0.02  -0.01  -0.07    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   135   1     0.04  -0.03   0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
   136   1     0.02   0.01   0.05    -0.00   0.00   0.00    -0.00   0.00   0.00
   137   1     0.02   0.01   0.04     0.00   0.00   0.00     0.00   0.00   0.00
   138   1    -0.01   0.05   0.01     0.00   0.00  -0.00    -0.00   0.01   0.00
   139   1    -0.01   0.06   0.01    -0.00   0.00  -0.00     0.00   0.01   0.00
   140   1     0.00  -0.04  -0.01     0.00  -0.01   0.00     0.00   0.00   0.00
   141   1     0.01  -0.01  -0.04     0.01  -0.00  -0.00    -0.00  -0.00  -0.00
   142   1     0.01  -0.04  -0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
   143  17    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
                    319                    320                    321
                      A                      A                      A
 Frequencies --   1471.9535              1488.3461              1488.7014
 Red. masses --      3.9632                 2.8310                 2.8490
 Frc consts  --      5.0592                 3.6949                 3.7201
 IR Inten    --      7.4084               173.3197               583.9773
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
     2   6     0.02  -0.02  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.05  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.00
     4   6     0.02  -0.04   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.03  -0.03   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.02   0.04  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.04  -0.03  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.01   0.01   0.01     0.00  -0.00   0.00     0.00   0.00   0.00
     9   6     0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.06   0.03  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.02  -0.03   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6     0.01   0.06   0.01    -0.00  -0.00  -0.00     0.00   0.01   0.00
    13   6    -0.01  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6    -0.00  -0.02  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   7     0.03  -0.03   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    16   6    -0.09   0.06  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   6     0.23   0.00  -0.05    -0.00  -0.00   0.00    -0.01   0.00   0.00
    18   7    -0.04   0.01   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6    -0.06  -0.06   0.04     0.00   0.00  -0.00     0.00  -0.00  -0.00
    20   6     0.12   0.02  -0.04    -0.00   0.00   0.00    -0.00   0.00  -0.00
    21   6    -0.13   0.14  -0.02     0.00  -0.00   0.00     0.01  -0.00  -0.00
    22   6    -0.08  -0.09   0.06    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.02   0.02   0.01    -0.01   0.01  -0.00    -0.01   0.01   0.00
    24   6     0.01  -0.02  -0.02     0.01   0.01   0.01    -0.01  -0.01  -0.00
    25   6     0.05  -0.10  -0.02    -0.00   0.00   0.00    -0.01  -0.00   0.01
    26   6    -0.03  -0.01  -0.01     0.00  -0.01  -0.01    -0.00   0.01   0.01
    27   6     0.02   0.02   0.02    -0.01   0.00  -0.00     0.01  -0.00   0.00
    28   6     0.02  -0.02  -0.01    -0.02  -0.01  -0.01     0.01   0.00   0.00
    29   6    -0.02  -0.01  -0.01    -0.01  -0.01  -0.01     0.00   0.01   0.01
    30   6     0.02   0.01   0.01    -0.01   0.00   0.00     0.01  -0.00  -0.00
    31   6    -0.03   0.02  -0.00    -0.00  -0.01  -0.01    -0.00  -0.01  -0.00
    32   6     0.01  -0.02  -0.00     0.01  -0.00   0.00     0.01  -0.00   0.00
    33   6     0.02   0.02   0.02     0.02  -0.01   0.00     0.01  -0.01   0.00
    34   6    -0.02   0.01  -0.00     0.00  -0.01  -0.00     0.00  -0.01  -0.00
    35   6     0.02  -0.02  -0.00     0.01   0.00   0.01     0.01   0.00   0.01
    36   6     0.12   0.04  -0.05    -0.00  -0.00   0.00     0.00  -0.01  -0.00
    37   6    -0.10   0.01   0.05     0.00  -0.00  -0.00     0.01   0.01  -0.00
    38   6     0.01  -0.11  -0.02    -0.00   0.00   0.00     0.02   0.01  -0.01
    39   6     0.08   0.05  -0.03    -0.00  -0.00   0.00     0.01  -0.00  -0.00
    40   6    -0.09  -0.01   0.04     0.00  -0.00  -0.00     0.00   0.01   0.00
    41   7    -0.00  -0.01  -0.00    -0.07   0.06  -0.00    -0.05   0.05  -0.00
    42   7    -0.01   0.01   0.00     0.08   0.03   0.03    -0.06  -0.02  -0.02
    43   7    -0.00   0.03  -0.01     0.00   0.00  -0.00    -0.07  -0.03   0.03
    44   6    -0.00  -0.00  -0.00    -0.07  -0.09  -0.01     0.05   0.06   0.01
    45   6     0.00  -0.01   0.00     0.06   0.02   0.02    -0.04  -0.01  -0.01
    46   6     0.01  -0.00   0.00     0.05   0.03   0.02    -0.04  -0.02  -0.01
    47   6     0.00   0.00   0.00    -0.10   0.02  -0.05     0.07  -0.01   0.04
    48   6     0.00  -0.00   0.00     0.10  -0.02  -0.02     0.09  -0.02  -0.02
    49   6     0.01   0.00  -0.00    -0.04   0.04  -0.00    -0.03   0.03  -0.00
    50   6     0.00   0.00  -0.00    -0.05   0.04  -0.00    -0.04   0.03  -0.00
    51   6    -0.00   0.00  -0.00     0.04  -0.10   0.02     0.03  -0.08   0.02
    52   6    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.06   0.06  -0.06
    53   6    -0.01  -0.02   0.01     0.00   0.00  -0.00    -0.05  -0.01   0.02
    54   6     0.02  -0.01   0.01     0.00   0.00  -0.00    -0.05  -0.02   0.02
    55   6     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.10  -0.01   0.00
    56   6    -0.01   0.00  -0.00     0.01  -0.08   0.02    -0.01   0.06  -0.01
    57   6     0.00   0.00  -0.00    -0.01   0.08  -0.02     0.01  -0.06   0.02
    58   6     0.01  -0.00   0.00     0.04   0.01   0.02    -0.03  -0.00  -0.01
    59   6    -0.00  -0.00  -0.00     0.03  -0.06   0.03    -0.02   0.04  -0.02
    60   6     0.00   0.01   0.00    -0.01   0.07  -0.02     0.00  -0.05   0.01
    61   6    -0.01  -0.01  -0.00     0.03   0.02   0.01    -0.02  -0.02  -0.01
    62   6    -0.00  -0.00  -0.00     0.03  -0.07   0.03    -0.02   0.05  -0.02
    63   6     0.00   0.01  -0.00    -0.04   0.07  -0.03     0.03  -0.05   0.02
    64   6    -0.00  -0.01   0.00     0.06   0.04  -0.03     0.05   0.03  -0.02
    65   6    -0.00  -0.00   0.00    -0.06  -0.05   0.03    -0.05  -0.04   0.03
    66   6    -0.00   0.01  -0.00    -0.02   0.03  -0.00    -0.02   0.03  -0.00
    67   6     0.00  -0.00   0.00     0.03   0.05  -0.03     0.02   0.04  -0.02
    68   6    -0.00   0.00  -0.00    -0.05  -0.04   0.03    -0.04  -0.03   0.02
    69   6     0.01  -0.00  -0.00    -0.03   0.02   0.00    -0.03   0.01   0.00
    70   6    -0.00  -0.00   0.00     0.04   0.06  -0.03     0.03   0.05  -0.03
    71   6    -0.01  -0.00   0.00    -0.03  -0.06   0.03    -0.03  -0.05   0.02
    72   6    -0.03   0.01  -0.01     0.00  -0.00   0.00    -0.02   0.05  -0.05
    73   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.03  -0.05   0.05
    74   6     0.03  -0.00  -0.00    -0.00   0.00  -0.00    -0.04  -0.00   0.01
    75   6    -0.02  -0.00   0.00     0.00  -0.00   0.00    -0.04   0.04  -0.03
    76   6     0.02   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.05   0.04
    77   6    -0.02  -0.02   0.02     0.00   0.00  -0.00    -0.03  -0.02   0.02
    78   6    -0.01   0.01  -0.00     0.00  -0.00   0.00    -0.04   0.05  -0.04
    79   6     0.01   0.02  -0.02    -0.00   0.00   0.00     0.05  -0.04   0.04
    80   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    81  15    -0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    82   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    83   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    84   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    85   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    86   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    87   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    88   1    -0.03   0.13  -0.00    -0.00   0.01   0.00     0.00   0.01   0.00
    89   1    -0.01   0.10  -0.02    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    90   1     0.07   0.03  -0.01    -0.00   0.00  -0.00     0.01   0.00  -0.00
    91   1     0.03  -0.02  -0.00     0.00   0.01   0.00     0.00  -0.00  -0.00
    92   1     0.12  -0.02   0.03     0.00   0.00   0.00     0.00  -0.00   0.00
    93   1     0.05   0.06   0.04     0.01   0.01   0.01    -0.00  -0.01  -0.00
    94   1     0.15  -0.10   0.01    -0.00   0.00  -0.00    -0.01   0.00   0.00
    95   1    -0.17  -0.34   0.19     0.00   0.00  -0.00    -0.00   0.00  -0.00
    96   1     0.20  -0.14   0.02     0.00   0.00  -0.00    -0.01   0.00   0.00
    97   1     0.03   0.07   0.06     0.03   0.03   0.03    -0.02  -0.02  -0.02
    98   1    -0.04   0.02   0.02     0.04  -0.00   0.00    -0.03   0.00  -0.00
    99   1     0.03   0.06   0.05     0.02   0.03   0.02    -0.02  -0.02  -0.01
   100   1    -0.05   0.01   0.02     0.05   0.01   0.00    -0.04  -0.00  -0.00
   101   1     0.02  -0.08  -0.03    -0.03   0.04   0.01    -0.02   0.03   0.01
   102   1    -0.05  -0.01  -0.03    -0.04   0.01  -0.01    -0.03   0.01  -0.01
   103   1     0.00  -0.06  -0.03    -0.02   0.04   0.01    -0.01   0.03   0.01
   104   1    -0.07  -0.00  -0.03    -0.05   0.02  -0.01    -0.04   0.02  -0.01
   105   1    -0.29   0.14   0.16     0.00  -0.00  -0.00    -0.04  -0.00   0.02
   106   1     0.05   0.19   0.02     0.00  -0.00  -0.00    -0.02  -0.03   0.01
   107   1    -0.20   0.13   0.12     0.00  -0.00  -0.00    -0.03   0.01   0.01
   108   1     0.11   0.23   0.01    -0.00  -0.00  -0.00    -0.04  -0.03   0.01
   109   1     0.00  -0.01   0.00    -0.14   0.14  -0.09     0.10  -0.10   0.06
   110   1    -0.01  -0.02  -0.00    -0.11  -0.10  -0.03     0.07   0.07   0.02
   111   1    -0.03  -0.01  -0.01    -0.23  -0.03  -0.10     0.16   0.02   0.07
   112   1    -0.01   0.00  -0.00    -0.16   0.22  -0.12     0.11  -0.16   0.08
   113   1     0.00  -0.01   0.00    -0.01  -0.29   0.05     0.01   0.20  -0.04
   114   1     0.02   0.01   0.01    -0.20  -0.15  -0.06     0.14   0.10   0.05
   115   1     0.02  -0.01   0.01    -0.14   0.00  -0.06     0.10  -0.00   0.05
   116   1     0.00  -0.02   0.01    -0.04  -0.20   0.02     0.03   0.14  -0.01
   117   1     0.01   0.01  -0.01    -0.03  -0.18   0.07    -0.03  -0.14   0.05
   118   1     0.02   0.00  -0.01     0.13  -0.05  -0.02     0.11  -0.04  -0.02
   119   1     0.01  -0.02   0.00     0.14  -0.19   0.03     0.12  -0.16   0.02
   120   1     0.01   0.00  -0.00    -0.08  -0.24   0.11    -0.07  -0.19   0.09
   121   1    -0.01   0.00   0.00     0.23   0.12  -0.11     0.18   0.10  -0.09
   122   1    -0.02   0.01   0.00     0.21  -0.11  -0.02     0.17  -0.09  -0.01
   123   1    -0.00   0.02  -0.01     0.07  -0.12   0.02     0.05  -0.10   0.02
   124   1     0.01   0.01  -0.01     0.18   0.06  -0.07     0.14   0.05  -0.05
   125   1     0.04  -0.05   0.04    -0.00   0.00  -0.00     0.15  -0.08   0.06
   126   1    -0.03  -0.06   0.06    -0.00   0.00  -0.00     0.09   0.07  -0.07
   127   1    -0.08  -0.02   0.02    -0.00   0.00  -0.00     0.22   0.03  -0.04
   128   1    -0.00  -0.02   0.02    -0.00   0.00  -0.00     0.19  -0.14   0.12
   129   1     0.02   0.01  -0.01    -0.00  -0.00   0.00    -0.03   0.19  -0.18
   130   1     0.08   0.04  -0.04    -0.00  -0.00   0.00     0.17   0.11  -0.10
   131   1     0.09  -0.02   0.01    -0.00   0.00  -0.00     0.13   0.00  -0.01
   132   1     0.02  -0.03   0.03    -0.00  -0.00   0.00     0.00   0.14  -0.13
   133   1    -0.01  -0.00  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
   134   1    -0.01  -0.00  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
   135   1     0.01  -0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
   136   1    -0.01   0.00   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
   137   1     0.00   0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
   138   1    -0.01   0.01   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
   139   1     0.00   0.02   0.01    -0.00  -0.00  -0.00     0.00  -0.00   0.00
   140   1     0.00  -0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   141   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.01  -0.00  -0.00
   142   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   143  17    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
                    322                    323                    324
                      A                      A                      A
 Frequencies --   1489.1225              1497.2424              1497.2827
 Red. masses --      2.8520                 2.3311                 2.3384
 Frc consts  --      3.7262                 3.0789                 3.0887
 IR Inten    --     64.7060                37.8344                17.4420
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.00    -0.00  -0.01  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.01   0.00    -0.00   0.01  -0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.01   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    14   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   7     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01   0.01  -0.00
    17   6    -0.01   0.00  -0.00     0.00   0.00  -0.00     0.01  -0.00  -0.00
    18   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.00
    20   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    21   6     0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01  -0.00
    22   6     0.01   0.00  -0.00     0.00  -0.00   0.00    -0.01  -0.00   0.00
    23   6     0.01  -0.01  -0.00     0.01   0.01   0.01    -0.00  -0.00  -0.00
    24   6     0.01   0.01   0.00    -0.01   0.01   0.01    -0.00   0.01   0.00
    25   6    -0.02  -0.00   0.01     0.00  -0.00  -0.00     0.01  -0.02  -0.01
    26   6     0.00  -0.00  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    27   6    -0.01   0.00  -0.00    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    28   6    -0.01  -0.00  -0.00    -0.00   0.01   0.00    -0.00   0.00   0.00
    29   6    -0.00  -0.01  -0.01     0.01   0.00   0.00     0.00   0.00   0.00
    30   6    -0.01   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    31   6     0.00   0.01   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
    32   6    -0.01   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
    33   6    -0.01   0.01  -0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
    34   6    -0.00   0.01   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    35   6    -0.01  -0.00  -0.00     0.00  -0.01  -0.00     0.00   0.00   0.00
    36   6     0.01  -0.01  -0.01     0.00   0.00  -0.00     0.01   0.01  -0.00
    37   6     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.02  -0.01   0.00
    38   6     0.02   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.01   0.00
    39   6     0.01  -0.00  -0.01     0.00   0.00  -0.00     0.02   0.00  -0.01
    40   6     0.00   0.01   0.00    -0.00   0.00   0.00    -0.01   0.01   0.01
    41   7     0.05  -0.04   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    42   7     0.05   0.02   0.02     0.00  -0.01   0.00     0.00  -0.00   0.00
    43   7    -0.09  -0.03   0.03    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    44   6    -0.04  -0.06  -0.01    -0.04  -0.01  -0.02    -0.02  -0.01  -0.01
    45   6     0.03   0.01   0.01     0.03  -0.03   0.02     0.01  -0.02   0.01
    46   6     0.03   0.02   0.01    -0.00  -0.04   0.01    -0.00  -0.02   0.00
    47   6    -0.06   0.01  -0.03     0.04   0.02   0.01     0.02   0.01   0.01
    48   6    -0.07   0.02   0.01    -0.05   0.06  -0.01     0.01  -0.02   0.00
    49   6     0.03  -0.03   0.00    -0.02  -0.06   0.03     0.01   0.02  -0.01
    50   6     0.03  -0.03   0.00    -0.06  -0.03   0.02     0.02   0.01  -0.01
    51   6    -0.03   0.07  -0.02     0.07  -0.04  -0.00    -0.02   0.01   0.00
    52   6     0.07   0.07  -0.07     0.00   0.00  -0.00     0.08   0.02  -0.02
    53   6    -0.06  -0.02   0.02    -0.00   0.00  -0.00    -0.06   0.04  -0.03
    54   6    -0.06  -0.02   0.02    -0.00   0.00  -0.00    -0.00   0.06  -0.05
    55   6     0.12  -0.01   0.00    -0.00  -0.00   0.00    -0.07  -0.03   0.04
    56   6     0.00  -0.05   0.01    -0.04   0.04  -0.03    -0.02   0.02  -0.01
    57   6    -0.01   0.05  -0.01     0.03   0.02   0.01     0.02   0.01   0.00
    58   6     0.02   0.00   0.01     0.02  -0.03   0.02     0.01  -0.02   0.01
    59   6     0.02  -0.04   0.02    -0.05   0.04  -0.03    -0.03   0.02  -0.02
    60   6    -0.00   0.04  -0.01     0.02   0.07  -0.00     0.01   0.04  -0.00
    61   6     0.02   0.02   0.01     0.00  -0.04   0.01     0.00  -0.02   0.01
    62   6     0.02  -0.05   0.02    -0.03  -0.00  -0.01    -0.02  -0.00  -0.01
    63   6    -0.02   0.04  -0.02     0.01   0.07  -0.01     0.01   0.04  -0.00
    64   6    -0.04  -0.03   0.02     0.02   0.10  -0.04    -0.01  -0.03   0.01
    65   6     0.04   0.03  -0.02     0.05  -0.03  -0.00    -0.01   0.01   0.00
    66   6     0.02  -0.02   0.00    -0.03  -0.06   0.03     0.01   0.01  -0.01
    67   6    -0.02  -0.04   0.02     0.01   0.10  -0.04    -0.00  -0.03   0.01
    68   6     0.04   0.03  -0.02     0.10   0.02  -0.03    -0.03  -0.01   0.01
    69   6     0.02  -0.01  -0.00    -0.05  -0.04   0.03     0.01   0.01  -0.01
    70   6    -0.03  -0.04   0.02    -0.03   0.05  -0.01     0.01  -0.01   0.00
    71   6     0.02   0.04  -0.02     0.09   0.04  -0.04    -0.03  -0.01   0.01
    72   6    -0.02   0.06  -0.05     0.00  -0.00   0.00     0.09  -0.06   0.04
    73   6     0.03  -0.06   0.06    -0.00  -0.00   0.00    -0.05  -0.03   0.03
    74   6    -0.04  -0.01   0.01    -0.00   0.00  -0.00    -0.05   0.04  -0.04
    75   6    -0.05   0.04  -0.04     0.00  -0.00   0.00     0.10  -0.05   0.04
    76   6     0.02  -0.05   0.05    -0.00  -0.00   0.00    -0.01  -0.09   0.08
    77   6    -0.03  -0.02   0.02    -0.00   0.00  -0.00    -0.02   0.05  -0.05
    78   6    -0.05   0.06  -0.05     0.00   0.00  -0.00     0.06   0.01  -0.01
    79   6     0.05  -0.05   0.04     0.00  -0.00   0.00     0.00  -0.09   0.08
    80   8    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    81  15     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    82   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    83   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    84   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    85   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    86   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    87   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    88   1     0.00  -0.01  -0.00    -0.00   0.01  -0.00    -0.01   0.01  -0.00
    89   1     0.00  -0.01   0.00     0.01   0.00  -0.00    -0.01   0.02  -0.00
    90   1    -0.00  -0.00   0.00     0.02  -0.00  -0.00    -0.01   0.00   0.00
    91   1     0.00   0.01   0.00     0.01   0.02   0.00    -0.00   0.00  -0.00
    92   1    -0.01   0.00  -0.00    -0.01   0.00  -0.00    -0.01   0.00  -0.00
    93   1     0.00   0.01   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    94   1    -0.02   0.00   0.00    -0.00   0.00   0.00     0.00  -0.01   0.00
    95   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.02
    96   1    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.02  -0.01   0.00
    97   1     0.02   0.01   0.01     0.01  -0.01  -0.01     0.00  -0.01  -0.00
    98   1     0.03  -0.00   0.00     0.03  -0.00  -0.01     0.02  -0.00  -0.00
    99   1     0.01   0.02   0.01    -0.01  -0.02  -0.02    -0.01  -0.01  -0.01
   100   1     0.04   0.00   0.00     0.01  -0.01  -0.01     0.00  -0.00  -0.00
   101   1     0.02  -0.03  -0.01    -0.01  -0.01  -0.01     0.00   0.01   0.00
   102   1     0.03  -0.01   0.01    -0.04   0.01  -0.02     0.01  -0.00   0.01
   103   1     0.01  -0.03  -0.01     0.02  -0.04  -0.02    -0.01   0.01   0.01
   104   1     0.04  -0.02   0.01    -0.01  -0.01  -0.01     0.00   0.00   0.00
   105   1    -0.05  -0.00   0.02    -0.00   0.00   0.00    -0.01   0.02   0.01
   106   1    -0.03  -0.04   0.01     0.00   0.00   0.00     0.03   0.04   0.00
   107   1    -0.04   0.01   0.02    -0.00   0.00   0.00    -0.04   0.02   0.03
   108   1    -0.05  -0.04   0.01    -0.00   0.00   0.00    -0.00   0.02   0.00
   109   1    -0.09   0.08  -0.05     0.09  -0.17   0.07     0.05  -0.10   0.04
   110   1    -0.06  -0.06  -0.02    -0.06  -0.18   0.01    -0.03  -0.10   0.00
   111   1    -0.14  -0.02  -0.06     0.00  -0.04   0.01    -0.00  -0.02   0.01
   112   1    -0.10   0.13  -0.07     0.08  -0.17   0.07     0.05  -0.09   0.04
   113   1    -0.01  -0.17   0.03     0.02  -0.20   0.05     0.01  -0.11   0.03
   114   1    -0.12  -0.09  -0.04     0.02  -0.04   0.02     0.01  -0.02   0.01
   115   1    -0.09   0.00  -0.04     0.14  -0.10   0.08     0.07  -0.05   0.04
   116   1    -0.02  -0.12   0.01     0.02  -0.21   0.05     0.01  -0.11   0.02
   117   1     0.02   0.12  -0.05    -0.15  -0.28   0.13     0.04   0.07  -0.03
   118   1    -0.10   0.03   0.01    -0.28  -0.05   0.09     0.07   0.01  -0.02
   119   1    -0.10   0.13  -0.02    -0.05  -0.04   0.03     0.01   0.01  -0.01
   120   1     0.06   0.16  -0.07    -0.14  -0.26   0.13     0.04   0.07  -0.03
   121   1    -0.16  -0.08   0.07    -0.23  -0.18   0.13     0.06   0.05  -0.03
   122   1    -0.14   0.08   0.01    -0.03  -0.06   0.03     0.01   0.02  -0.01
   123   1    -0.05   0.08  -0.02    -0.01  -0.28   0.10     0.00   0.08  -0.03
   124   1    -0.12  -0.04   0.05    -0.25  -0.19   0.13     0.07   0.05  -0.03
   125   1     0.18  -0.10   0.07    -0.01   0.01  -0.01    -0.23   0.22  -0.19
   126   1     0.10   0.09  -0.09     0.00   0.01  -0.01     0.06   0.23  -0.22
   127   1     0.26   0.04  -0.05    -0.00   0.00  -0.00    -0.02   0.06  -0.05
   128   1     0.22  -0.16   0.14    -0.01   0.01  -0.01    -0.22   0.21  -0.18
   129   1    -0.04   0.22  -0.20    -0.00   0.01  -0.01    -0.10   0.25  -0.23
   130   1     0.20   0.12  -0.12    -0.00   0.00  -0.00    -0.05   0.05  -0.04
   131   1     0.16   0.01  -0.01    -0.01   0.01  -0.00    -0.29   0.11  -0.09
   132   1     0.01   0.16  -0.15    -0.00   0.01  -0.01    -0.10   0.27  -0.24
   133   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
   134   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
   135   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   136   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.01
   137   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   138   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   139   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   140   1     0.00  -0.00  -0.00     0.00  -0.03   0.00     0.00  -0.01   0.00
   141   1    -0.00  -0.00  -0.00     0.04   0.00   0.01     0.01   0.00   0.00
   142   1     0.00  -0.00  -0.00     0.00   0.03  -0.00     0.00   0.01  -0.00
   143  17     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                    325                    326                    327
                      A                      A                      A
 Frequencies --   1497.3208              1497.9453              1498.2007
 Red. masses --      2.3375                 1.0401                 1.0395
 Frc consts  --      3.0876                 1.3751                 1.3747
 IR Inten    --     22.0621                 7.1973                 4.5672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6     0.01   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   6    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    13   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   6     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    16   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   6    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    18   7     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    24   6    -0.01   0.02   0.01     0.00  -0.00  -0.00     0.00   0.00   0.00
    25   6    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    26   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    27   6    -0.01  -0.01  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    28   6    -0.01   0.01   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    29   6     0.01   0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    30   6    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   6     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    32   6    -0.01   0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    33   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    34   6     0.01  -0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    37   6     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    38   6    -0.00   0.01  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    39   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    40   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    41   7     0.01   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    42   7     0.01  -0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    43   7     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    44   6    -0.07  -0.02  -0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    45   6     0.04  -0.05   0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    46   6    -0.01  -0.07   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    47   6     0.06   0.04   0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    48   6     0.03  -0.03   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    49   6     0.01   0.04  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    50   6     0.03   0.01  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    51   6    -0.04   0.02   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    52   6    -0.03  -0.01   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    53   6     0.02  -0.02   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    54   6     0.00  -0.02   0.02    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    55   6     0.03   0.01  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    56   6    -0.06   0.07  -0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    57   6     0.04   0.03   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    58   6     0.03  -0.05   0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
    59   6    -0.07   0.06  -0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    60   6     0.03   0.10  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    61   6     0.00  -0.06   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    62   6    -0.05  -0.01  -0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
    63   6     0.01   0.10  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    64   6    -0.01  -0.06   0.02    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    65   6    -0.03   0.02   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    66   6     0.02   0.03  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    67   6    -0.01  -0.06   0.02    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    68   6    -0.06  -0.01   0.02    -0.00  -0.00   0.00    -0.00   0.00   0.00
    69   6     0.03   0.02  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    70   6     0.02  -0.03   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    71   6    -0.05  -0.02   0.02    -0.00  -0.00   0.00    -0.00   0.00   0.00
    72   6    -0.04   0.02  -0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
    73   6     0.02   0.01  -0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    74   6     0.02  -0.02   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    75   6    -0.04   0.02  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    76   6     0.00   0.03  -0.03     0.00   0.00  -0.00     0.00  -0.00   0.00
    77   6     0.01  -0.02   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    78   6    -0.02  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    79   6    -0.00   0.03  -0.03     0.00   0.00  -0.00     0.00  -0.00   0.00
    80   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    81  15     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    82   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    83   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    84   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.01
    85   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.03  -0.03   0.02
    86   6    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00     0.00  -0.00   0.00
    87   6    -0.00   0.00  -0.00    -0.05  -0.00  -0.01     0.01   0.00   0.00
    88   1    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    89   1    -0.01   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    90   1    -0.02   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    91   1    -0.00   0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    92   1    -0.03   0.01  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    93   1    -0.01  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
    94   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    95   1     0.01   0.01  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    96   1    -0.01   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    97   1     0.00  -0.02  -0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    98   1     0.04  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    99   1    -0.02  -0.03  -0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
   100   1     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
   101   1     0.00   0.01   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
   102   1     0.02  -0.00   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
   103   1    -0.01   0.03   0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
   104   1     0.01   0.01   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
   105   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   106   1    -0.01  -0.02  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
   107   1     0.02  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
   108   1     0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
   109   1     0.14  -0.26   0.11    -0.00   0.00  -0.00     0.00  -0.00   0.00
   110   1    -0.09  -0.27   0.01     0.00   0.01  -0.00    -0.00  -0.00  -0.00
   111   1    -0.00  -0.07   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
   112   1     0.13  -0.25   0.11    -0.00   0.00  -0.00     0.00  -0.00   0.00
   113   1     0.03  -0.30   0.07    -0.00   0.01  -0.00     0.00  -0.00   0.00
   114   1     0.03  -0.06   0.03     0.00   0.00  -0.00    -0.00  -0.00   0.00
   115   1     0.20  -0.14   0.12    -0.00   0.00  -0.00     0.00  -0.00   0.00
   116   1     0.03  -0.31   0.07    -0.00   0.01  -0.00     0.00  -0.00   0.00
   117   1     0.08   0.16  -0.07     0.00   0.01  -0.00     0.00   0.00  -0.00
   118   1     0.16   0.03  -0.05     0.01   0.00  -0.00     0.00   0.00  -0.00
   119   1     0.03   0.02  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
   120   1     0.08   0.15  -0.07     0.00   0.01  -0.00     0.00   0.00  -0.00
   121   1     0.13   0.10  -0.07     0.01   0.00  -0.00     0.00   0.00  -0.00
   122   1     0.01   0.04  -0.02     0.00   0.00  -0.00    -0.00   0.00  -0.00
   123   1     0.00   0.16  -0.05     0.00   0.01  -0.00    -0.00   0.00  -0.00
   124   1     0.14   0.11  -0.07     0.01   0.00  -0.00     0.00   0.00  -0.00
   125   1     0.09  -0.09   0.07     0.00  -0.00   0.00    -0.00   0.00  -0.00
   126   1    -0.02  -0.09   0.08    -0.00  -0.00   0.00     0.00   0.00  -0.00
   127   1     0.01  -0.02   0.02     0.00  -0.00   0.00     0.00   0.00  -0.00
   128   1     0.09  -0.08   0.07     0.00  -0.00   0.00    -0.00   0.00  -0.00
   129   1     0.04  -0.10   0.09     0.00  -0.00   0.00    -0.00   0.00  -0.00
   130   1     0.02  -0.02   0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
   131   1     0.11  -0.04   0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
   132   1     0.04  -0.11   0.09     0.00  -0.00   0.00    -0.00   0.00  -0.00
   133   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.03  -0.02   0.00
   134   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.03   0.03  -0.01
   135   1     0.00   0.00  -0.00     0.05   0.06  -0.03     0.40   0.51  -0.27
   136   1     0.00  -0.00  -0.00    -0.01  -0.01  -0.05    -0.05  -0.13  -0.48
   137   1     0.00  -0.00   0.00     0.01   0.02   0.05     0.13   0.18   0.43
   138   1    -0.00   0.00   0.00     0.02  -0.01  -0.04     0.00   0.01   0.00
   139   1     0.00   0.00   0.00    -0.01   0.01   0.04    -0.00   0.00  -0.01
   140   1     0.00  -0.00   0.00     0.09  -0.49   0.03    -0.01   0.05   0.00
   141   1     0.00   0.00   0.00     0.68   0.07   0.15    -0.08  -0.01  -0.02
   142   1     0.00   0.00  -0.00    -0.00   0.49  -0.01    -0.01  -0.06   0.01
   143  17     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                    328                    329                    330
                      A                      A                      A
 Frequencies --   1513.0703              1514.3249              1519.5952
 Red. masses --      1.0543                 1.0516                 2.9552
 Frc consts  --      1.4221                 1.4208                 4.0206
 IR Inten    --      3.7665                 0.7411                23.6789
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01   0.01   0.00
     2   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.01  -0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.03   0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.01  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.03   0.00
     8   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.02   0.01  -0.01
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.00   0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01   0.02   0.00
    12   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.01  -0.01  -0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.01  -0.00
    14   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.02   0.02   0.01
    15   7    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.01
    17   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.02   0.01
    18   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.02   0.00   0.00
    20   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
    21   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01   0.00  -0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.02  -0.01
    24   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.01  -0.00
    26   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.01   0.01
    30   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    31   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01   0.00   0.01
    32   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02   0.01  -0.00
    33   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
    34   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.01  -0.02  -0.01
    35   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.01   0.01   0.01
    36   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
    37   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.01   0.00
    38   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    39   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    40   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.00   0.00
    41   7     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.05   0.05  -0.03
    42   7     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.00
    43   7    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.01
    44   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.02  -0.00
    45   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.02  -0.01  -0.01
    46   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.02   0.00   0.01
    47   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.01   0.02  -0.01
    48   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.10  -0.07   0.05
    49   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.11  -0.05  -0.01
    50   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.07   0.10  -0.01
    51   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.05  -0.11   0.05
    52   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.02   0.02
    53   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02   0.01  -0.01
    54   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.03  -0.00   0.00
    55   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.02   0.02
    56   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.01  -0.00
    57   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.02  -0.01
    58   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.02  -0.00   0.01
    59   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01   0.00
    60   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    61   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    62   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.02  -0.01
    63   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    64   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.08   0.01  -0.02
    65   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08  -0.06   0.04
    66   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.05   0.10  -0.02
    67   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.08   0.01  -0.03
    68   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.08  -0.03
    69   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.11  -0.04  -0.02
    70   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.05  -0.09   0.04
    71   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01   0.08  -0.02
    72   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.01
    73   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.02   0.02
    74   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.03   0.00   0.00
    75   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.01
    76   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.01  -0.01
    77   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02   0.01  -0.01
    78   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.02   0.01
    79   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.01  -0.00
    80   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    81  15    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    82   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    83   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    84   6    -0.03   0.01  -0.02     0.01  -0.00   0.01     0.00  -0.00   0.00
    85   6     0.03  -0.03  -0.01    -0.01   0.01   0.00    -0.00  -0.00  -0.00
    86   6    -0.00   0.01   0.01    -0.01   0.03   0.02     0.00  -0.00  -0.00
    87   6     0.00   0.01  -0.01     0.01   0.02  -0.04    -0.00   0.00  -0.00
    88   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.06   0.00
    89   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03   0.08  -0.01
    90   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.04   0.02   0.00
    91   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.05  -0.06  -0.02
    92   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.02  -0.01  -0.01
    93   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.05  -0.07  -0.03
    94   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.07  -0.01  -0.01
    95   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02   0.02  -0.01
    96   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.05   0.00  -0.01
    97   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
    98   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    99   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.01
   100   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00  -0.00
   101   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01   0.02   0.01
   102   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.04  -0.01   0.02
   103   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.03   0.06   0.03
   104   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.02   0.02   0.00
   105   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.02   0.00  -0.01
   106   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02   0.02  -0.00
   107   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
   108   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01   0.01  -0.00
   109   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03   0.01  -0.01
   110   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.04  -0.05  -0.01
   111   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.08  -0.02  -0.03
   112   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.03   0.02  -0.02
   113   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.04  -0.00
   114   1     0.00   0.00   0.00     0.00   0.00   0.00     0.06   0.04   0.02
   115   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.05  -0.01   0.02
   116   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.03   0.00
   117   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.02  -0.16   0.05
   118   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.29  -0.06  -0.06
   119   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.28  -0.32   0.03
   120   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01  -0.19   0.06
   121   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.19  -0.02   0.06
   122   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.37   0.23   0.02
   123   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.11   0.29  -0.07
   124   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.16   0.00   0.04
   125   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.04  -0.01   0.00
   126   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.04   0.05  -0.05
   127   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.10   0.02  -0.03
   128   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.04  -0.01   0.01
   129   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.04   0.03
   130   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.08  -0.04   0.04
   131   1    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.07   0.01  -0.00
   132   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.03   0.03
   133   1     0.31  -0.02  -0.04    -0.09   0.00   0.01    -0.01   0.00   0.00
   134   1     0.10  -0.28   0.10    -0.03   0.08  -0.03    -0.00   0.01  -0.00
   135   1     0.22  -0.12   0.07    -0.07   0.03  -0.02    -0.00  -0.00  -0.00
   136   1    -0.50   0.07   0.25     0.15  -0.02  -0.07     0.00   0.00   0.00
   137   1    -0.10   0.56   0.01     0.03  -0.17  -0.01     0.00  -0.00   0.00
   138   1     0.06  -0.01  -0.06     0.16  -0.04  -0.15    -0.01  -0.00   0.01
   139   1    -0.03  -0.02  -0.08    -0.07  -0.07  -0.20     0.01   0.00   0.01
   140   1     0.08  -0.04   0.15     0.27  -0.13   0.53     0.01  -0.00   0.01
   141   1     0.02  -0.02  -0.08     0.07  -0.09  -0.27     0.00  -0.00  -0.00
   142   1    -0.13  -0.06   0.11    -0.44  -0.20   0.37    -0.01  -0.00   0.01
   143  17    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                    331                    332                    333
                      A                      A                      A
 Frequencies --   1519.7121              1519.7417              1522.0490
 Red. masses --      2.9763                 2.9775                 2.6711
 Frc consts  --      4.0499                 4.0518                 3.6458
 IR Inten    --      6.8174                62.1614                37.9869
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.04   0.00   0.00
     2   6    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.02  -0.06   0.00
     3   6    -0.01  -0.01   0.00     0.00   0.00  -0.00     0.05   0.09  -0.01
     4   6     0.01   0.00  -0.00    -0.00   0.00  -0.00    -0.09   0.02  -0.00
     5   6    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.05  -0.10   0.01
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.05  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.03  -0.11   0.01
     8   6     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.07   0.03  -0.02
     9   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.01
    10   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.03  -0.01  -0.00
    11   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.03   0.06   0.02
    12   6    -0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.02  -0.01  -0.01
    13   6    -0.00   0.00  -0.00     0.01  -0.00   0.00    -0.03  -0.03  -0.02
    14   6    -0.00  -0.01  -0.00     0.00   0.01   0.00     0.07   0.07   0.04
    15   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    16   6     0.01  -0.01   0.00     0.01  -0.01   0.00     0.06   0.07  -0.05
    17   6    -0.01   0.00   0.00    -0.01   0.00   0.00    -0.01  -0.09   0.04
    18   7    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.11   0.01   0.02
    20   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.01  -0.05   0.02
    21   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.09   0.01  -0.02
    22   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08   0.04  -0.00
    23   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    24   6     0.01  -0.01  -0.01    -0.01   0.02   0.01    -0.00  -0.00  -0.00
    25   6    -0.00   0.02   0.00    -0.00   0.02   0.00     0.01   0.01  -0.00
    26   6    -0.01   0.00   0.00     0.01  -0.00  -0.00     0.01   0.01   0.01
    27   6     0.02   0.00   0.00    -0.02  -0.00  -0.00     0.01  -0.00  -0.00
    28   6     0.00  -0.01   0.00    -0.00   0.01  -0.00    -0.01  -0.01  -0.01
    29   6    -0.01  -0.01  -0.01     0.01   0.01   0.01    -0.00   0.01   0.01
    30   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.02  -0.00  -0.00
    31   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    32   6    -0.01   0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00   0.00
    33   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.02   0.01
    34   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    35   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.02  -0.01   0.01
    36   6    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.04   0.01   0.02
    37   6     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.00  -0.03  -0.00
    38   6    -0.00   0.01  -0.00    -0.00   0.01  -0.00     0.04   0.02  -0.01
    39   6    -0.02  -0.00   0.01    -0.01  -0.00   0.01    -0.02   0.02   0.01
    40   6     0.01  -0.01  -0.00     0.01  -0.01  -0.00    -0.02  -0.03   0.00
    41   7     0.02   0.02  -0.01     0.00   0.00  -0.00    -0.00  -0.02   0.01
    42   7    -0.02   0.05  -0.01     0.02  -0.06   0.02     0.00   0.01   0.00
    43   7     0.03  -0.04   0.03     0.03  -0.04   0.03    -0.01  -0.01   0.01
    44   6     0.00  -0.09   0.02    -0.00   0.10  -0.02     0.00  -0.01   0.00
    45   6     0.07   0.05   0.02    -0.08  -0.06  -0.02     0.00   0.01  -0.00
    46   6    -0.08  -0.01  -0.03     0.09   0.01   0.04    -0.00  -0.01  -0.00
    47   6     0.04  -0.07   0.03    -0.05   0.08  -0.04     0.00  -0.00   0.00
    48   6    -0.03  -0.02   0.02    -0.00  -0.00   0.00     0.02   0.01  -0.01
    49   6     0.03  -0.02  -0.00     0.00  -0.00  -0.00    -0.01   0.02  -0.00
    50   6    -0.02   0.03  -0.01    -0.00   0.00  -0.00     0.01  -0.03   0.01
    51   6    -0.02  -0.03   0.02    -0.00  -0.00   0.00     0.02   0.02  -0.01
    52   6    -0.02   0.07  -0.06    -0.02   0.07  -0.06    -0.01   0.01  -0.01
    53   6    -0.07  -0.04   0.04    -0.07  -0.04   0.04     0.00  -0.02   0.01
    54   6     0.09   0.01  -0.02     0.09   0.01  -0.01    -0.00   0.01  -0.01
    55   6    -0.06   0.06  -0.05    -0.06   0.06  -0.05    -0.00  -0.00   0.00
    56   6     0.02   0.05   0.00    -0.03  -0.06  -0.00    -0.00   0.00  -0.00
    57   6     0.01  -0.08   0.02    -0.01   0.09  -0.02     0.00  -0.00   0.00
    58   6    -0.08   0.00  -0.03     0.08  -0.01   0.04    -0.00  -0.00   0.00
    59   6     0.02   0.06  -0.00    -0.02  -0.06   0.00    -0.00   0.00  -0.00
    60   6    -0.04   0.03  -0.03     0.05  -0.03   0.03    -0.01  -0.00  -0.00
    61   6     0.06   0.06   0.01    -0.06  -0.07  -0.02     0.01   0.01   0.00
    62   6     0.03  -0.07   0.03    -0.04   0.07  -0.03     0.01  -0.01   0.01
    63   6    -0.05   0.03  -0.03     0.05  -0.03   0.03    -0.01   0.00  -0.00
    64   6     0.03   0.00  -0.01     0.00   0.00  -0.00    -0.02   0.00   0.00
    65   6    -0.03  -0.02   0.01    -0.00  -0.00   0.00     0.02   0.01  -0.01
    66   6    -0.02   0.03  -0.01    -0.00   0.00  -0.00     0.01  -0.03   0.01
    67   6     0.02   0.00  -0.01     0.00   0.00  -0.00    -0.02   0.00   0.00
    68   6     0.00   0.02  -0.01    -0.00   0.00  -0.00    -0.00  -0.01   0.01
    69   6     0.03  -0.01  -0.01     0.00  -0.00  -0.00    -0.01   0.01   0.00
    70   6    -0.02  -0.03   0.01    -0.00  -0.00   0.00     0.01   0.01  -0.01
    71   6    -0.00   0.02  -0.01    -0.00   0.00  -0.00    -0.00  -0.01   0.00
    72   6    -0.02  -0.04   0.04    -0.02  -0.04   0.04     0.01  -0.00   0.00
    73   6    -0.02   0.06  -0.05    -0.02   0.06  -0.05    -0.00  -0.01   0.01
    74   6     0.09  -0.00  -0.01     0.09  -0.00  -0.01    -0.01   0.00  -0.00
    75   6    -0.01  -0.04   0.04    -0.01  -0.04   0.04     0.01  -0.00   0.00
    76   6     0.06  -0.02   0.02     0.05  -0.02   0.02     0.01   0.01  -0.01
    77   6    -0.05  -0.05   0.05    -0.05  -0.05   0.05    -0.01  -0.01   0.01
    78   6    -0.05   0.05  -0.04    -0.05   0.05  -0.04    -0.02   0.01  -0.01
    79   6     0.06  -0.02   0.01     0.06  -0.02   0.01     0.01   0.00  -0.00
    80   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    81  15     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    82   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    83   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    84   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    85   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    86   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
    87   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    88   1     0.01  -0.02   0.00    -0.00   0.01  -0.00    -0.08   0.25  -0.00
    89   1     0.01  -0.02   0.00    -0.00   0.01  -0.00    -0.07   0.27  -0.03
    90   1     0.00  -0.01   0.00    -0.00   0.00   0.00    -0.05   0.07  -0.00
    91   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.17  -0.22  -0.08
    92   1     0.01  -0.00   0.01    -0.02   0.00  -0.01    -0.05  -0.04  -0.03
    93   1     0.01   0.01   0.01    -0.01  -0.01  -0.01    -0.16  -0.26  -0.12
    94   1     0.01   0.00  -0.00     0.00   0.00  -0.00     0.44  -0.07  -0.09
    95   1     0.01   0.02  -0.01     0.01   0.02  -0.01     0.17   0.13  -0.10
    96   1    -0.01   0.00  -0.00    -0.01   0.00  -0.00     0.27   0.00  -0.06
    97   1    -0.01   0.01   0.01     0.01  -0.01  -0.01    -0.02  -0.03  -0.02
    98   1    -0.04   0.00   0.01     0.04  -0.00  -0.01    -0.04  -0.00  -0.00
    99   1     0.02   0.03   0.03    -0.02  -0.03  -0.04    -0.03  -0.02  -0.02
   100   1     0.00   0.01   0.01    -0.00  -0.01  -0.01    -0.05   0.00  -0.00
   101   1     0.01  -0.00   0.00    -0.00   0.00   0.00    -0.02   0.03  -0.00
   102   1     0.02  -0.01   0.01    -0.00   0.00   0.00    -0.06   0.01  -0.02
   103   1    -0.00   0.01   0.01    -0.00   0.00   0.00    -0.03   0.03  -0.00
   104   1     0.01   0.00   0.00    -0.00   0.00  -0.00    -0.07   0.01  -0.02
   105   1     0.00  -0.01  -0.00     0.00  -0.01  -0.00     0.12  -0.02  -0.05
   106   1    -0.03  -0.03  -0.00    -0.03  -0.03  -0.00     0.09   0.06  -0.03
   107   1     0.04  -0.01  -0.03     0.04  -0.01  -0.03     0.11  -0.01  -0.05
   108   1     0.01  -0.01  -0.01     0.01  -0.01  -0.01     0.08   0.08  -0.03
   109   1     0.10  -0.04   0.05    -0.11   0.05  -0.06     0.01  -0.01   0.01
   110   1     0.13   0.17   0.03    -0.15  -0.19  -0.03     0.00  -0.00   0.00
   111   1     0.28   0.06   0.11    -0.31  -0.07  -0.13     0.01  -0.00   0.00
   112   1     0.11  -0.06   0.06    -0.12   0.07  -0.07     0.01  -0.01   0.01
   113   1    -0.05  -0.13   0.00     0.06   0.15  -0.00    -0.01  -0.00  -0.00
   114   1    -0.25  -0.15  -0.08     0.27   0.17   0.09    -0.04  -0.02  -0.01
   115   1    -0.19   0.04  -0.10     0.22  -0.04   0.11    -0.04   0.01  -0.02
   116   1    -0.05  -0.10  -0.00     0.06   0.12   0.00    -0.01   0.00  -0.00
   117   1     0.01  -0.05   0.01     0.00  -0.00   0.00    -0.01   0.02  -0.00
   118   1     0.10  -0.02  -0.02     0.01  -0.00  -0.00    -0.09   0.01   0.02
   119   1     0.09  -0.10   0.01     0.01  -0.01   0.00    -0.07   0.07  -0.01
   120   1     0.00  -0.06   0.02    -0.00  -0.00   0.00    -0.01   0.03  -0.01
   121   1    -0.06  -0.01   0.02    -0.00  -0.00   0.00     0.03   0.01  -0.01
   122   1    -0.11   0.07   0.01    -0.01   0.01   0.00     0.05  -0.03  -0.00
   123   1    -0.03   0.09  -0.02    -0.00   0.01  -0.00     0.01  -0.03   0.01
   124   1    -0.05  -0.00   0.01    -0.00   0.00   0.00     0.03   0.01  -0.01
   125   1    -0.12   0.03  -0.02    -0.12   0.03  -0.02    -0.01   0.02  -0.01
   126   1    -0.12  -0.14   0.14    -0.12  -0.14   0.14     0.01   0.02  -0.02
   127   1    -0.31  -0.06   0.08    -0.30  -0.06   0.07     0.02   0.01  -0.01
   128   1    -0.14   0.04  -0.03    -0.14   0.04  -0.03    -0.01   0.01  -0.01
   129   1     0.04   0.11  -0.10     0.04   0.10  -0.10     0.01  -0.00   0.00
   130   1     0.26   0.13  -0.14     0.25   0.13  -0.13     0.05   0.02  -0.02
   131   1     0.23  -0.02   0.01     0.23  -0.02   0.01     0.06  -0.01   0.01
   132   1     0.04   0.08  -0.08     0.04   0.08  -0.08     0.01  -0.01   0.01
   133   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.07   0.00   0.02
   134   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.02   0.07  -0.02
   135   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.01   0.00
   136   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.02   0.00   0.02
   137   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.03   0.00
   138   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.07  -0.00   0.06
   139   1     0.00   0.00   0.00     0.00   0.00   0.00     0.04   0.01   0.08
   140   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.02   0.04
   141   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.02
   142   1     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.03  -0.01   0.03
   143  17     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
                    334                    335                    336
                      A                      A                      A
 Frequencies --   1529.2517              1530.7567              1531.5661
 Red. masses --      2.4221                 2.9844                 1.3387
 Frc consts  --      3.3373                 4.1203                 1.8502
 IR Inten    --     66.6006                 1.2614                 5.7437
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01  -0.00     0.02  -0.02   0.00     0.00  -0.00   0.00
     2   6    -0.02   0.05  -0.00    -0.00   0.03  -0.00     0.00  -0.00  -0.00
     3   6    -0.04  -0.07   0.00    -0.03   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.06  -0.02   0.00     0.03  -0.03   0.00    -0.00   0.00  -0.00
     5   6    -0.03   0.08  -0.01     0.00   0.03  -0.00    -0.00   0.00  -0.00
     6   6    -0.02  -0.03   0.00    -0.04   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.01   0.07  -0.00     0.03  -0.03   0.01     0.00  -0.00   0.00
     8   6     0.05  -0.02   0.02    -0.04  -0.00  -0.02    -0.00   0.00  -0.00
     9   6    -0.01   0.02  -0.01     0.01  -0.00   0.00    -0.00   0.00   0.00
    10   6     0.01  -0.00  -0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    11   6    -0.02  -0.03  -0.01     0.01   0.04   0.01     0.00   0.00   0.00
    12   6     0.02  -0.01   0.00    -0.02  -0.01  -0.01     0.00  -0.00   0.00
    13   6     0.02   0.03   0.01     0.02  -0.02   0.00    -0.00   0.00  -0.00
    14   6    -0.05  -0.05  -0.03     0.02   0.04   0.01     0.00   0.00   0.00
    15   7    -0.01  -0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   6     0.06   0.05  -0.04    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   6     0.02  -0.07   0.03     0.01   0.00  -0.00    -0.00  -0.00   0.00
    18   7    -0.03   0.02  -0.00    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    19   6    -0.10   0.02   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   6     0.01  -0.04   0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   6     0.04   0.02  -0.02    -0.01   0.00  -0.00     0.00   0.00  -0.00
    22   6    -0.06   0.02   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    23   6     0.01  -0.01   0.00     0.02  -0.02   0.00    -0.00   0.00  -0.00
    24   6     0.01   0.01   0.00    -0.03  -0.01  -0.01    -0.00  -0.00  -0.00
    25   6     0.02   0.00  -0.01    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    26   6    -0.00  -0.01  -0.01     0.01   0.03   0.02     0.00   0.00   0.00
    27   6    -0.01  -0.00   0.00     0.03  -0.01  -0.01     0.00  -0.00  -0.00
    28   6     0.01   0.01   0.01    -0.02  -0.01  -0.01    -0.00  -0.00  -0.00
    29   6     0.00  -0.01  -0.01     0.01   0.03   0.02     0.00   0.00   0.00
    30   6    -0.02   0.00   0.00     0.03  -0.01  -0.01     0.00  -0.00  -0.00
    31   6    -0.00   0.02   0.01    -0.00   0.03   0.01     0.00  -0.00  -0.00
    32   6    -0.02   0.00  -0.01    -0.03  -0.00  -0.01     0.00  -0.00   0.00
    33   6     0.01  -0.02  -0.01     0.02  -0.02   0.00    -0.00   0.00   0.00
    34   6     0.00   0.02   0.01    -0.00   0.03   0.01     0.00  -0.00  -0.00
    35   6    -0.03   0.00  -0.01    -0.03  -0.00  -0.01     0.00   0.00   0.00
    36   6    -0.03   0.02   0.02     0.01  -0.00  -0.00     0.01  -0.01  -0.00
    37   6    -0.01  -0.03  -0.00     0.00   0.01   0.00     0.01   0.01  -0.00
    38   6     0.04   0.01  -0.02    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    39   6    -0.02   0.02   0.02     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    40   6    -0.02  -0.04   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    41   7     0.01   0.00  -0.00     0.02  -0.02   0.00    -0.00   0.00  -0.00
    42   7     0.00  -0.00   0.00    -0.03  -0.01  -0.01    -0.00  -0.00  -0.00
    43   7     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02  -0.01   0.01
    44   6    -0.01   0.01  -0.01     0.06  -0.02   0.03     0.00  -0.00   0.00
    45   6     0.00  -0.03   0.01    -0.03   0.10  -0.03    -0.00   0.01  -0.00
    46   6    -0.00   0.02  -0.01     0.03  -0.10   0.03     0.00  -0.01   0.00
    47   6    -0.01  -0.01  -0.00     0.04   0.06   0.01     0.00   0.00   0.00
    48   6    -0.01   0.02  -0.00    -0.02   0.07  -0.02     0.00  -0.01   0.00
    49   6    -0.02  -0.03   0.01    -0.06  -0.07   0.04     0.00   0.01  -0.00
    50   6     0.02   0.03  -0.02     0.06   0.07  -0.04    -0.00  -0.01   0.00
    51   6    -0.03  -0.00   0.01    -0.07   0.01   0.01     0.01  -0.00  -0.00
    52   6    -0.04   0.00  -0.00     0.01  -0.00   0.00     0.04  -0.00   0.00
    53   6     0.03  -0.04   0.03    -0.01   0.01  -0.01    -0.02   0.04  -0.03
    54   6    -0.03   0.04  -0.03     0.01  -0.01   0.01     0.03  -0.04   0.03
    55   6    -0.01  -0.03   0.02     0.01   0.01  -0.01     0.02   0.03  -0.02
    56   6     0.01  -0.00   0.00    -0.04  -0.00  -0.02    -0.00  -0.00  -0.00
    57   6    -0.00  -0.01   0.00     0.02   0.08  -0.01     0.00   0.00  -0.00
    58   6    -0.01   0.01  -0.01     0.07  -0.04   0.04     0.00  -0.00   0.00
    59   6     0.01  -0.00   0.01    -0.06   0.01  -0.03    -0.00   0.00  -0.00
    60   6     0.01   0.01   0.00    -0.04  -0.06  -0.01    -0.00  -0.00  -0.00
    61   6    -0.01  -0.02  -0.00     0.03   0.08  -0.00     0.00   0.00  -0.00
    62   6    -0.02   0.02  -0.01     0.05  -0.05   0.03     0.00  -0.00   0.00
    63   6     0.01   0.00   0.00    -0.03  -0.03  -0.01    -0.00  -0.00  -0.00
    64   6     0.01  -0.01   0.00     0.02  -0.03   0.01    -0.00   0.00  -0.00
    65   6    -0.03  -0.01   0.01    -0.07  -0.02   0.03     0.01   0.00  -0.00
    66   6    -0.00   0.03  -0.01    -0.00   0.08  -0.02     0.00  -0.01   0.00
    67   6     0.01  -0.02   0.01     0.02  -0.06   0.02    -0.00   0.00  -0.00
    68   6     0.02  -0.00  -0.01     0.07  -0.01  -0.01    -0.01   0.00   0.00
    69   6    -0.03  -0.00   0.01    -0.08  -0.01   0.02     0.01   0.00  -0.00
    70   6     0.00   0.02  -0.01     0.01   0.08  -0.03    -0.00  -0.01   0.00
    71   6     0.01  -0.00  -0.00     0.04  -0.02  -0.00    -0.00   0.00   0.00
    72   6     0.02   0.00  -0.00    -0.01  -0.00   0.00    -0.02  -0.00   0.00
    73   6    -0.00  -0.03   0.03     0.00   0.01  -0.01     0.00   0.03  -0.03
    74   6    -0.04   0.01  -0.01     0.01  -0.00   0.00     0.04  -0.01   0.01
    75   6     0.04  -0.00   0.00    -0.01   0.00  -0.00    -0.04   0.00  -0.00
    76   6     0.02   0.02  -0.02    -0.01  -0.01   0.01    -0.02  -0.02   0.02
    77   6    -0.01  -0.03   0.03     0.00   0.01  -0.01     0.01   0.03  -0.03
    78   6    -0.03   0.02  -0.01     0.01  -0.01   0.00     0.04  -0.02   0.02
    79   6     0.01   0.01  -0.01    -0.01  -0.00   0.00    -0.02  -0.01   0.01
    80   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    81  15    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    82   8    -0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.01  -0.01
    83   8    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    84   6     0.02  -0.02  -0.00    -0.00   0.00   0.00     0.05  -0.05  -0.02
    85   6     0.00  -0.01  -0.01    -0.00   0.00   0.00     0.01  -0.01  -0.01
    86   6     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    87   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    88   1     0.07  -0.21   0.00     0.04  -0.08   0.00     0.00   0.00   0.00
    89   1     0.07  -0.22   0.03     0.05  -0.09   0.01     0.00  -0.00  -0.00
    90   1     0.09  -0.06   0.00     0.11  -0.03  -0.00     0.00  -0.00  -0.00
    91   1     0.10   0.15   0.05    -0.08  -0.09  -0.04    -0.00  -0.00  -0.00
    92   1     0.03   0.04   0.02    -0.10  -0.01  -0.03    -0.00   0.00  -0.00
    93   1     0.12   0.19   0.09    -0.10  -0.12  -0.07    -0.00  -0.00  -0.00
    94   1     0.36  -0.05  -0.07    -0.00  -0.00   0.00     0.00  -0.00   0.00
    95   1     0.14   0.09  -0.07    -0.01  -0.01   0.01     0.00   0.00  -0.00
    96   1     0.21  -0.01  -0.04    -0.01  -0.00   0.00     0.00   0.00  -0.00
    97   1     0.02   0.02   0.01    -0.07  -0.07  -0.06    -0.00  -0.00  -0.00
    98   1     0.05  -0.00  -0.00    -0.12  -0.01  -0.01    -0.00  -0.00  -0.00
    99   1     0.03   0.02   0.02    -0.07  -0.07  -0.06    -0.00  -0.00  -0.00
   100   1     0.06   0.00   0.00    -0.12  -0.01  -0.01    -0.00  -0.00  -0.00
   101   1     0.03  -0.06  -0.01     0.06  -0.11  -0.02    -0.00   0.00   0.00
   102   1     0.07  -0.02   0.02     0.10  -0.04   0.03    -0.00   0.00  -0.00
   103   1     0.04  -0.06  -0.01     0.06  -0.10  -0.02    -0.00   0.00   0.00
   104   1     0.09  -0.03   0.02     0.11  -0.04   0.03    -0.00   0.00  -0.00
   105   1     0.11  -0.01  -0.05    -0.02   0.00   0.01    -0.03   0.00   0.01
   106   1     0.09   0.08  -0.02    -0.01  -0.01   0.00    -0.02  -0.02   0.01
   107   1     0.11  -0.00  -0.05    -0.02   0.00   0.01    -0.03   0.00   0.01
   108   1     0.10   0.10  -0.03    -0.01  -0.01   0.00    -0.03  -0.02   0.01
   109   1    -0.01   0.03  -0.01     0.03  -0.13   0.03     0.00  -0.01   0.00
   110   1     0.02   0.04   0.00    -0.13  -0.24  -0.02    -0.01  -0.01  -0.00
   111   1     0.03   0.02   0.01    -0.17  -0.08  -0.06    -0.01  -0.00  -0.00
   112   1    -0.01   0.03  -0.01     0.03  -0.14   0.04     0.00  -0.01   0.00
   113   1     0.01  -0.03   0.01    -0.05   0.13  -0.05    -0.00   0.01  -0.00
   114   1     0.05   0.02   0.02    -0.18  -0.06  -0.07    -0.01  -0.00  -0.00
   115   1     0.07  -0.02   0.03    -0.23   0.09  -0.12    -0.01   0.00  -0.01
   116   1     0.01  -0.02   0.01    -0.05   0.12  -0.04    -0.00   0.01  -0.00
   117   1     0.03   0.03  -0.02     0.09   0.08  -0.05    -0.01  -0.01   0.00
   118   1     0.11  -0.01  -0.03     0.26  -0.01  -0.06    -0.02   0.00   0.00
   119   1     0.07  -0.05  -0.00     0.16  -0.12  -0.00    -0.01   0.01   0.00
   120   1     0.04   0.03  -0.02     0.10   0.09  -0.06    -0.01  -0.01   0.00
   121   1    -0.03  -0.04   0.02    -0.08  -0.11   0.06     0.01   0.01  -0.00
   122   1     0.04  -0.04   0.00     0.14  -0.14   0.01    -0.01   0.01  -0.00
   123   1     0.02  -0.08   0.02     0.05  -0.25   0.07    -0.00   0.02  -0.01
   124   1    -0.03  -0.03   0.02    -0.07  -0.10   0.05     0.01   0.01  -0.00
   125   1    -0.03   0.05  -0.04     0.01  -0.01   0.01     0.03  -0.05   0.04
   126   1     0.06   0.10  -0.09    -0.01  -0.02   0.02    -0.06  -0.10   0.09
   127   1     0.10   0.04  -0.04    -0.02  -0.01   0.01    -0.09  -0.04   0.04
   128   1    -0.03   0.05  -0.05     0.01  -0.01   0.01     0.03  -0.06   0.05
   129   1     0.04  -0.05   0.04    -0.01   0.01  -0.01    -0.04   0.05  -0.05
   130   1     0.09   0.03  -0.03    -0.03  -0.01   0.01    -0.10  -0.03   0.03
   131   1     0.13  -0.03   0.02    -0.04   0.01  -0.01    -0.14   0.03  -0.02
   132   1     0.04  -0.05   0.04    -0.01   0.01  -0.01    -0.04   0.05  -0.04
   133   1    -0.23   0.02   0.12     0.04  -0.00  -0.02    -0.51   0.06   0.28
   134   1    -0.05   0.26  -0.01     0.01  -0.05   0.00    -0.10   0.59   0.00
   135   1     0.06  -0.03   0.02    -0.01   0.01  -0.00     0.13  -0.07   0.04
   136   1    -0.12   0.02   0.06     0.02  -0.00  -0.01    -0.25   0.04   0.12
   137   1    -0.02   0.13   0.00     0.00  -0.02  -0.00    -0.05   0.28   0.01
   138   1    -0.07  -0.02   0.06    -0.02  -0.00   0.01     0.01   0.00  -0.01
   139   1     0.04  -0.00   0.08     0.01  -0.00   0.02    -0.01  -0.00  -0.02
   140   1     0.01  -0.00   0.02     0.00  -0.00   0.01    -0.00   0.00  -0.00
   141   1    -0.01  -0.00  -0.02     0.00  -0.00  -0.00    -0.00  -0.00   0.00
   142   1    -0.02  -0.02   0.02    -0.01  -0.00   0.01     0.00   0.00  -0.00
   143  17    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
                    337                    338                    339
                      A                      A                      A
 Frequencies --   1531.7536              1532.7758              1536.2231
 Red. masses --      3.0498                 2.2104                 1.1783
 Frc consts  --      4.2160                 3.0597                 1.6383
 IR Inten    --      8.1978               131.6053                26.4547
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00    -0.03   0.01   0.00     0.01  -0.01   0.00
     2   6    -0.00   0.01  -0.00     0.01  -0.03   0.00     0.00   0.01  -0.00
     3   6    -0.01  -0.02   0.00     0.03   0.04  -0.00    -0.01   0.00  -0.00
     4   6     0.02  -0.00   0.00    -0.04   0.01  -0.00     0.01  -0.01   0.00
     5   6    -0.01   0.02  -0.00     0.02  -0.05   0.00     0.00   0.01  -0.00
     6   6     0.00  -0.01   0.00     0.01   0.02  -0.00    -0.01   0.00   0.00
     7   6    -0.01   0.03  -0.00     0.00  -0.04   0.00     0.01  -0.01   0.00
     8   6     0.02  -0.01   0.01    -0.03   0.01  -0.01    -0.02  -0.00  -0.01
     9   6    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.01  -0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.01   0.00   0.00    -0.01   0.01  -0.00
    11   6    -0.01  -0.02  -0.00     0.01   0.01   0.01     0.01   0.01   0.00
    12   6     0.01   0.01   0.01    -0.01   0.01  -0.00    -0.01  -0.00  -0.00
    13   6     0.01   0.01   0.00    -0.01  -0.02  -0.01     0.01  -0.01   0.00
    14   6    -0.02  -0.02  -0.01     0.03   0.03   0.02     0.01   0.02   0.01
    15   7    -0.00  -0.00  -0.00     0.00   0.01  -0.01     0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00    -0.04  -0.04   0.03    -0.01  -0.01   0.01
    17   6     0.01   0.01  -0.00    -0.01   0.06  -0.02    -0.00   0.02  -0.01
    18   7    -0.00   0.00   0.00     0.02  -0.01   0.00     0.00  -0.00   0.00
    19   6     0.01   0.00  -0.00     0.07  -0.01  -0.01     0.02  -0.00  -0.00
    20   6    -0.00   0.00  -0.00    -0.01   0.03  -0.01     0.00   0.01  -0.01
    21   6    -0.01   0.00   0.00    -0.04  -0.02   0.02    -0.02  -0.00   0.01
    22   6     0.00  -0.00   0.00     0.05  -0.02  -0.00     0.02  -0.01  -0.00
    23   6    -0.02   0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    24   6    -0.02  -0.01  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    25   6     0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    26   6    -0.00   0.01   0.01    -0.00   0.00  -0.00     0.00   0.01   0.00
    27   6     0.02  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    28   6    -0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.01  -0.00  -0.00
    29   6     0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
    30   6     0.01  -0.00  -0.00     0.01   0.00   0.00     0.01  -0.00  -0.00
    31   6    -0.00  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.01   0.00
    32   6     0.02  -0.00   0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    33   6    -0.00  -0.00  -0.00    -0.01   0.01   0.00     0.01  -0.01   0.00
    34   6     0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   6     0.01   0.00   0.01     0.01  -0.00   0.00    -0.01   0.00  -0.00
    36   6    -0.00   0.01   0.00     0.01  -0.00  -0.01     0.01  -0.00  -0.00
    37   6    -0.01  -0.01   0.00    -0.00   0.00   0.00     0.00   0.01   0.00
    38   6     0.00  -0.00  -0.00    -0.03  -0.00   0.01    -0.01  -0.00   0.00
    39   6    -0.01   0.00   0.01    -0.00  -0.01  -0.00     0.00  -0.00  -0.00
    40   6    -0.00  -0.01  -0.00     0.01   0.01  -0.00     0.01   0.01  -0.00
    41   7    -0.03   0.03  -0.00     0.02  -0.02   0.00    -0.01   0.00  -0.00
    42   7    -0.04  -0.02  -0.02     0.01   0.01   0.00     0.01   0.00   0.00
    43   7     0.02   0.01  -0.01     0.05   0.01  -0.02     0.01   0.00  -0.00
    44   6     0.07  -0.01   0.03    -0.01   0.00  -0.01    -0.01   0.00  -0.00
    45   6    -0.03   0.10  -0.03     0.01  -0.02   0.01     0.00  -0.01   0.00
    46   6     0.03  -0.10   0.03    -0.01   0.02  -0.01    -0.00   0.01  -0.00
    47   6     0.05   0.06   0.01    -0.01  -0.01  -0.00    -0.00  -0.01  -0.00
    48   6     0.02  -0.06   0.02    -0.01   0.03  -0.01     0.00  -0.00   0.00
    49   6     0.06   0.07  -0.04    -0.03  -0.03   0.02     0.00   0.00  -0.00
    50   6    -0.06  -0.07   0.04     0.02   0.03  -0.01    -0.00  -0.00   0.00
    51   6     0.07  -0.01  -0.01    -0.03   0.01   0.00     0.01  -0.00  -0.00
    52   6    -0.05   0.00  -0.00    -0.06   0.01  -0.00    -0.01   0.00   0.00
    53   6     0.03  -0.04   0.04     0.04  -0.06   0.05     0.00  -0.01   0.01
    54   6    -0.03   0.04  -0.04    -0.04   0.06  -0.05    -0.00   0.01  -0.01
    55   6    -0.02  -0.03   0.03    -0.03  -0.04   0.04    -0.01  -0.00   0.00
    56   6    -0.04  -0.00  -0.02     0.01   0.00   0.00     0.00   0.00   0.00
    57   6     0.02   0.08  -0.01    -0.00  -0.02   0.00    -0.00  -0.01   0.00
    58   6     0.07  -0.04   0.04    -0.01   0.01  -0.01    -0.01   0.00  -0.00
    59   6    -0.07   0.01  -0.03     0.01  -0.00   0.01     0.01  -0.00   0.00
    60   6    -0.04  -0.06  -0.01     0.01   0.01   0.00     0.00   0.00   0.00
    61   6     0.03   0.08  -0.00    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    62   6     0.06  -0.05   0.04    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    63   6    -0.03  -0.03  -0.01     0.01   0.01   0.00     0.00   0.00   0.00
    64   6    -0.02   0.03  -0.01     0.01  -0.01   0.00    -0.00   0.00  -0.00
    65   6     0.07   0.02  -0.02    -0.03  -0.01   0.01     0.01   0.00  -0.00
    66   6     0.00  -0.07   0.02    -0.00   0.03  -0.01     0.00  -0.01   0.00
    67   6    -0.02   0.06  -0.02     0.01  -0.03   0.01    -0.00   0.00  -0.00
    68   6    -0.06   0.01   0.01     0.03  -0.01  -0.01    -0.00   0.00   0.00
    69   6     0.07   0.01  -0.02    -0.03  -0.00   0.01     0.01   0.00  -0.00
    70   6    -0.01  -0.07   0.03     0.00   0.03  -0.01    -0.00  -0.00   0.00
    71   6    -0.04   0.02   0.00     0.02  -0.01  -0.00    -0.00   0.00   0.00
    72   6     0.03   0.00  -0.00     0.03   0.00  -0.01     0.00   0.00  -0.00
    73   6    -0.00  -0.04   0.03    -0.00  -0.05   0.04    -0.00  -0.01   0.01
    74   6    -0.05   0.02  -0.01    -0.06   0.02  -0.01    -0.01   0.00  -0.00
    75   6     0.04  -0.01   0.00     0.06  -0.01   0.00     0.01  -0.00   0.00
    76   6     0.02   0.03  -0.03     0.03   0.04  -0.04     0.00   0.00  -0.00
    77   6    -0.01  -0.04   0.03    -0.02  -0.05   0.05    -0.00  -0.01   0.01
    78   6    -0.04   0.02  -0.02    -0.06   0.03  -0.02    -0.01   0.00  -0.00
    79   6     0.02   0.01  -0.01     0.03   0.02  -0.02     0.00   0.00  -0.00
    80   8    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.01  -0.00   0.00
    81  15     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
    82   8     0.00  -0.00  -0.00     0.00  -0.01  -0.01     0.00  -0.00   0.00
    83   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
    84   6     0.01  -0.01  -0.00     0.03  -0.03  -0.01     0.00  -0.00  -0.00
    85   6     0.00  -0.00  -0.00     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    86   6    -0.00   0.00   0.00    -0.01  -0.00   0.02     0.02   0.01  -0.08
    87   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.01
    88   1     0.02  -0.06   0.00    -0.04   0.12  -0.00     0.01  -0.03   0.00
    89   1     0.02  -0.06   0.01    -0.04   0.12  -0.02     0.02  -0.03   0.00
    90   1     0.01  -0.02  -0.00    -0.06   0.04   0.00     0.04  -0.01  -0.00
    91   1     0.05   0.06   0.02    -0.05  -0.08  -0.03    -0.04  -0.04  -0.02
    92   1     0.02   0.01   0.01    -0.02  -0.02  -0.01    -0.04  -0.00  -0.02
    93   1     0.04   0.07   0.03    -0.06  -0.10  -0.05    -0.04  -0.05  -0.03
    94   1    -0.02   0.00   0.00    -0.28   0.04   0.06    -0.10   0.01   0.02
    95   1    -0.01  -0.01   0.01    -0.11  -0.07   0.06    -0.04  -0.03   0.02
    96   1    -0.02  -0.00   0.00    -0.16   0.01   0.03    -0.06   0.00   0.01
    97   1    -0.04  -0.03  -0.03     0.00   0.00   0.00    -0.01  -0.02  -0.01
    98   1    -0.05  -0.00  -0.00    -0.00   0.00   0.00    -0.02  -0.00  -0.00
    99   1    -0.03  -0.03  -0.03    -0.01   0.00   0.00    -0.02  -0.01  -0.01
   100   1    -0.05  -0.01  -0.00    -0.01   0.00   0.00    -0.03   0.00  -0.00
   101   1    -0.03   0.04   0.01    -0.00   0.01  -0.00     0.01  -0.02  -0.00
   102   1    -0.04   0.02  -0.01    -0.01   0.00  -0.00     0.02  -0.01   0.00
   103   1    -0.02   0.04   0.01    -0.01   0.01  -0.00     0.01  -0.02  -0.00
   104   1    -0.04   0.02  -0.01    -0.02   0.00  -0.00     0.02  -0.01   0.00
   105   1     0.03   0.00  -0.01    -0.03   0.01   0.01    -0.03   0.00   0.01
   106   1     0.02   0.02  -0.01    -0.02  -0.02   0.01    -0.02  -0.02   0.01
   107   1     0.03  -0.00  -0.01    -0.03  -0.01   0.01    -0.03   0.00   0.01
   108   1     0.03   0.02  -0.01    -0.02  -0.03   0.01    -0.02  -0.02   0.01
   109   1     0.03  -0.13   0.04    -0.00   0.03  -0.01    -0.00   0.01  -0.00
   110   1    -0.14  -0.24  -0.02     0.03   0.05   0.00     0.01   0.02   0.00
   111   1    -0.18  -0.08  -0.06     0.04   0.02   0.01     0.01   0.01   0.00
   112   1     0.03  -0.15   0.04    -0.01   0.03  -0.01    -0.00   0.01  -0.00
   113   1    -0.05   0.14  -0.05     0.01  -0.03   0.01     0.00  -0.01   0.00
   114   1    -0.18  -0.06  -0.07     0.03   0.01   0.01     0.01   0.00   0.01
   115   1    -0.23   0.09  -0.12     0.04  -0.02   0.02     0.02  -0.01   0.01
   116   1    -0.05   0.12  -0.04     0.01  -0.03   0.01     0.00  -0.01   0.00
   117   1    -0.08  -0.08   0.05     0.03   0.03  -0.02    -0.01  -0.01   0.00
   118   1    -0.24   0.01   0.06     0.09  -0.00  -0.02    -0.02   0.00   0.00
   119   1    -0.14   0.11   0.00     0.06  -0.04  -0.00    -0.01   0.01   0.00
   120   1    -0.09  -0.09   0.06     0.04   0.04  -0.02    -0.01  -0.01   0.00
   121   1     0.08   0.10  -0.06    -0.03  -0.04   0.02     0.01   0.01  -0.00
   122   1    -0.13   0.13  -0.01     0.06  -0.05   0.00    -0.01   0.01  -0.00
   123   1    -0.05   0.24  -0.07     0.02  -0.10   0.03    -0.00   0.02  -0.00
   124   1     0.07   0.09  -0.05    -0.03  -0.04   0.02     0.00   0.01  -0.00
   125   1    -0.03   0.06  -0.05    -0.04   0.08  -0.07    -0.00   0.01  -0.01
   126   1     0.06   0.11  -0.10     0.08   0.15  -0.14     0.01   0.02  -0.02
   127   1     0.10   0.04  -0.05     0.14   0.06  -0.06     0.02   0.01  -0.01
   128   1    -0.04   0.06  -0.06    -0.05   0.09  -0.08    -0.01   0.01  -0.01
   129   1     0.05  -0.06   0.05     0.07  -0.08   0.07     0.01  -0.01   0.01
   130   1     0.11   0.03  -0.04     0.15   0.05  -0.05     0.02   0.00  -0.01
   131   1     0.16  -0.03   0.02     0.22  -0.05   0.03     0.02  -0.01   0.00
   132   1     0.04  -0.05   0.04     0.06  -0.07   0.06     0.01  -0.01   0.01
   133   1    -0.14   0.02   0.08    -0.32   0.04   0.18    -0.03   0.01   0.03
   134   1    -0.03   0.16   0.00    -0.06   0.37   0.01    -0.00   0.04   0.01
   135   1     0.03  -0.02   0.01     0.08  -0.04   0.02     0.02  -0.01   0.01
   136   1    -0.07   0.01   0.03    -0.15   0.02   0.07    -0.04   0.01   0.02
   137   1    -0.01   0.08   0.00    -0.03   0.17   0.00    -0.01   0.04   0.00
   138   1     0.03   0.01  -0.02     0.15   0.04  -0.12    -0.48  -0.18   0.39
   139   1    -0.02   0.00  -0.03    -0.09   0.02  -0.18     0.29  -0.10   0.57
   140   1    -0.01   0.00  -0.01    -0.03   0.01  -0.05     0.09  -0.05   0.17
   141   1    -0.00   0.00   0.01    -0.00   0.01   0.03     0.03  -0.03  -0.11
   142   1     0.01   0.00  -0.01     0.04   0.03  -0.04    -0.14  -0.07   0.12
   143  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
                    340                    341                    342
                      A                      A                      A
 Frequencies --   1536.8144              1559.6471              1562.4845
 Red. masses --      2.5580                 2.9320                 2.9835
 Frc consts  --      3.5596                 4.2021                 4.2915
 IR Inten    --    125.2539               297.5870               207.9412
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.06  -0.00    -0.02   0.04  -0.00    -0.02   0.02  -0.00
     2   6     0.01  -0.08   0.01    -0.01  -0.01   0.00    -0.00  -0.01   0.00
     3   6     0.08   0.01   0.00     0.03   0.01  -0.00     0.02   0.00   0.00
     4   6    -0.08   0.07  -0.01    -0.04  -0.01   0.00    -0.01   0.01  -0.00
     5   6     0.00  -0.08   0.01     0.03  -0.02   0.00     0.01  -0.02   0.00
     6   6     0.08   0.01  -0.00    -0.03   0.01  -0.00     0.01   0.01  -0.00
     7   6    -0.08   0.06  -0.02     0.04  -0.02   0.01    -0.01   0.00  -0.00
     8   6     0.09   0.00   0.03    -0.03   0.02  -0.01     0.00  -0.01  -0.00
     9   6    -0.02   0.00  -0.00     0.00  -0.01   0.00     0.01  -0.01   0.01
    10   6     0.02  -0.03   0.01     0.00   0.00  -0.00    -0.02   0.00   0.00
    11   6    -0.03  -0.08  -0.02    -0.01   0.02  -0.00     0.00  -0.01   0.00
    12   6     0.06   0.04   0.02    -0.03  -0.04  -0.01     0.00   0.02   0.00
    13   6    -0.05   0.03  -0.01    -0.04  -0.00  -0.01     0.00  -0.01   0.00
    14   6    -0.04  -0.07  -0.03     0.04   0.01   0.02    -0.00   0.01   0.00
    15   7    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
    16   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.04  -0.05   0.03
    17   6    -0.02   0.00   0.00    -0.01   0.00  -0.00     0.03   0.06  -0.04
    18   7     0.02   0.00  -0.00     0.01  -0.00   0.00     0.02  -0.01   0.00
    19   6     0.01   0.00  -0.00     0.01  -0.00   0.00     0.07   0.01  -0.02
    20   6    -0.01  -0.00   0.00     0.00   0.01  -0.00    -0.02   0.00   0.00
    21   6     0.01  -0.01   0.00     0.00  -0.01   0.00    -0.09  -0.01   0.02
    22   6    -0.00   0.01  -0.00     0.00   0.00  -0.00     0.03  -0.03   0.01
    23   6    -0.02   0.01  -0.00     0.08  -0.07   0.00     0.03  -0.02   0.00
    24   6     0.02   0.01   0.01     0.12   0.05   0.04    -0.02  -0.01  -0.01
    25   6     0.00   0.00  -0.00    -0.01  -0.00   0.00     0.15   0.05  -0.06
    26   6    -0.02  -0.03  -0.03    -0.02  -0.07  -0.06     0.00   0.01   0.01
    27   6    -0.03   0.01   0.01    -0.10   0.02   0.02     0.01  -0.00  -0.00
    28   6     0.05   0.02   0.02     0.13   0.06   0.05    -0.01  -0.01  -0.01
    29   6    -0.00  -0.02  -0.02    -0.02  -0.08  -0.07     0.00   0.01   0.01
    30   6    -0.04   0.01   0.00    -0.11   0.02   0.02     0.02  -0.00  -0.00
    31   6     0.01  -0.05  -0.02    -0.01   0.08   0.03    -0.00   0.02   0.01
    32   6     0.03   0.01   0.02    -0.08  -0.00  -0.03    -0.02  -0.00  -0.01
    33   6    -0.05   0.04  -0.00     0.09  -0.08   0.00     0.03  -0.02   0.00
    34   6    -0.00  -0.03  -0.02    -0.01   0.08   0.03    -0.00   0.02   0.01
    35   6     0.05  -0.00   0.02    -0.08   0.00  -0.03    -0.02  -0.00  -0.01
    36   6    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.09   0.06   0.05
    37   6     0.00  -0.01  -0.00     0.00   0.01  -0.00    -0.06  -0.11   0.00
    38   6     0.00   0.01  -0.00    -0.01  -0.00   0.00     0.16   0.05  -0.06
    39   6    -0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.10   0.06   0.06
    40   6     0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.06  -0.11   0.00
    41   7     0.04  -0.03   0.00    -0.05   0.04  -0.00    -0.01   0.01  -0.00
    42   7    -0.04  -0.02  -0.01    -0.06  -0.03  -0.02     0.01   0.00   0.00
    43   7    -0.00  -0.00   0.00     0.01   0.00  -0.00    -0.08  -0.03   0.03
    44   6     0.03  -0.00   0.01     0.02   0.01   0.01    -0.00  -0.00  -0.00
    45   6    -0.01   0.03  -0.01    -0.00   0.01  -0.00     0.00  -0.00   0.00
    46   6     0.01  -0.03   0.01     0.01  -0.01   0.00    -0.00   0.00  -0.00
    47   6     0.02   0.02   0.01     0.02   0.01   0.01    -0.00  -0.00  -0.00
    48   6    -0.01   0.03  -0.01     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    49   6    -0.03  -0.03   0.01     0.01   0.01  -0.00     0.00   0.00  -0.00
    50   6     0.02   0.03  -0.01    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    51   6    -0.03   0.01   0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
    52   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02   0.00  -0.01
    53   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.01
    54   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
    55   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02   0.01  -0.01
    56   6    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00     0.00   0.00   0.00
    57   6     0.01   0.03  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    58   6     0.02  -0.01   0.01     0.01  -0.01   0.01    -0.00   0.00  -0.00
    59   6    -0.02   0.01  -0.01    -0.01   0.00  -0.01     0.00  -0.00   0.00
    60   6    -0.02  -0.02  -0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    61   6     0.01   0.03  -0.00     0.00   0.01  -0.00    -0.00  -0.00  -0.00
    62   6     0.02  -0.02   0.01     0.01  -0.01   0.01    -0.00   0.00  -0.00
    63   6    -0.01  -0.01  -0.00    -0.01  -0.00  -0.00     0.00   0.00  -0.00
    64   6     0.01  -0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    65   6    -0.03  -0.01   0.01     0.01   0.00  -0.00     0.00   0.00  -0.00
    66   6    -0.00   0.03  -0.01    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    67   6     0.01  -0.03   0.01    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    68   6     0.03  -0.00  -0.01    -0.01   0.00   0.00    -0.00   0.00   0.00
    69   6    -0.03  -0.00   0.01     0.01   0.00  -0.00     0.00   0.00  -0.00
    70   6     0.00   0.03  -0.01    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    71   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    72   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    73   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.01
    74   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    75   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.02   0.00  -0.00
    76   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    77   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.01
    78   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
    79   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    80   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    81  15     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    82   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    83   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    84   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    85   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    86   6     0.01   0.01  -0.03    -0.00   0.00  -0.00     0.00   0.00  -0.00
    87   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    88   1    -0.11   0.23  -0.01    -0.03   0.04  -0.01    -0.02   0.04  -0.00
    89   1    -0.12   0.24  -0.03     0.00   0.06  -0.01    -0.02   0.05  -0.01
    90   1    -0.27   0.08   0.00     0.01   0.01   0.01    -0.04   0.02   0.00
    91   1     0.18   0.20   0.08    -0.05  -0.03  -0.01     0.02   0.01   0.00
    92   1     0.22   0.01   0.07     0.02  -0.01  -0.01     0.00  -0.01   0.00
    93   1     0.20   0.25   0.13    -0.02  -0.07  -0.02    -0.01  -0.00  -0.00
    94   1    -0.02   0.01   0.00    -0.02   0.00   0.01    -0.20   0.05   0.03
    95   1     0.01   0.02  -0.01    -0.01  -0.01   0.01    -0.06  -0.03   0.05
    96   1     0.01   0.01  -0.01    -0.01   0.00   0.00    -0.13  -0.02   0.02
    97   1     0.08   0.09   0.07     0.21   0.20   0.18    -0.02  -0.02  -0.02
    98   1     0.12   0.01   0.02     0.34   0.02   0.03    -0.04  -0.00  -0.00
    99   1     0.08   0.07   0.06     0.21   0.20   0.17    -0.03  -0.03  -0.02
   100   1     0.13   0.00   0.01     0.36   0.03   0.02    -0.05  -0.00  -0.00
   101   1    -0.06   0.13   0.03     0.14  -0.24  -0.06     0.04  -0.07  -0.02
   102   1    -0.12   0.05  -0.02     0.25  -0.09   0.06     0.08  -0.03   0.02
   103   1    -0.07   0.11   0.02     0.13  -0.23  -0.05     0.04  -0.07  -0.02
   104   1    -0.13   0.04  -0.03     0.26  -0.10   0.07     0.08  -0.03   0.02
   105   1     0.02  -0.00  -0.01    -0.02   0.00   0.01     0.37  -0.03  -0.18
   106   1     0.01   0.00  -0.00    -0.02  -0.01   0.00     0.30   0.27  -0.08
   107   1     0.01  -0.00  -0.01    -0.02   0.00   0.01     0.37  -0.03  -0.17
   108   1     0.00   0.00  -0.00    -0.02  -0.02   0.00     0.32   0.28  -0.08
   109   1     0.01  -0.04   0.01    -0.00  -0.02   0.00     0.00   0.00  -0.00
   110   1    -0.05  -0.08  -0.00    -0.02  -0.04  -0.00     0.00   0.01   0.00
   111   1    -0.06  -0.03  -0.02    -0.02  -0.01  -0.01     0.00   0.00   0.00
   112   1     0.01  -0.06   0.02     0.01  -0.04   0.02    -0.00   0.01  -0.00
   113   1    -0.02   0.06  -0.02    -0.01   0.04  -0.01     0.00  -0.00   0.00
   114   1    -0.06  -0.02  -0.02    -0.02  -0.01  -0.01     0.00   0.00   0.00
   115   1    -0.08   0.03  -0.04    -0.03   0.01  -0.02     0.00  -0.00   0.00
   116   1    -0.02   0.04  -0.01    -0.01   0.01  -0.01     0.00  -0.00   0.00
   117   1     0.04   0.03  -0.02    -0.01  -0.01   0.00    -0.00  -0.00   0.00
   118   1     0.10  -0.00  -0.03    -0.03   0.00   0.01    -0.01   0.00   0.00
   119   1     0.06  -0.05  -0.00    -0.02   0.01   0.00    -0.01   0.00   0.00
   120   1     0.04   0.05  -0.03    -0.02  -0.03   0.02    -0.01  -0.01   0.00
   121   1    -0.04  -0.05   0.03     0.02   0.02  -0.02     0.01   0.01  -0.00
   122   1     0.05  -0.05   0.00    -0.02   0.02  -0.00    -0.00   0.00  -0.00
   123   1     0.02  -0.10   0.03    -0.01   0.03  -0.01    -0.00   0.01  -0.00
   124   1    -0.03  -0.04   0.02     0.00   0.01  -0.00     0.00   0.00  -0.00
   125   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
   126   1    -0.01  -0.01   0.01     0.00   0.00  -0.00    -0.02  -0.03   0.03
   127   1    -0.01  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.01   0.01
   128   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.02  -0.03   0.03
   129   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.03  -0.03
   130   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.03  -0.01   0.01
   131   1    -0.01   0.00  -0.00     0.00  -0.00   0.00    -0.04   0.01  -0.01
   132   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.01
   133   1     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.01   0.00   0.01
   134   1     0.00  -0.00   0.00    -0.00   0.01   0.00     0.00   0.01   0.00
   135   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   136   1    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   137   1    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   138   1    -0.20  -0.08   0.16     0.00  -0.00  -0.00    -0.01  -0.01   0.01
   139   1     0.12  -0.04   0.24     0.00  -0.00  -0.00     0.01  -0.01   0.02
   140   1     0.04  -0.02   0.07     0.00  -0.00   0.00     0.00  -0.00   0.00
   141   1     0.01  -0.01  -0.05     0.00   0.00   0.00     0.00  -0.00  -0.00
   142   1    -0.06  -0.03   0.05    -0.00   0.00   0.00    -0.00  -0.00   0.00
   143  17     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
                    343                    344                    345
                      A                      A                      A
 Frequencies --   1564.1829              1591.5879              1598.0313
 Red. masses --      3.0616                 6.0269                 6.0622
 Frc consts  --      4.4134                 8.9950                 9.1211
 IR Inten    --    101.5339                12.9751                 3.0993
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.06  -0.00     0.02  -0.03   0.00    -0.17  -0.10   0.02
     2   6    -0.00  -0.04   0.00    -0.01   0.04  -0.00     0.05   0.10  -0.01
     3   6     0.07  -0.01   0.00    -0.01  -0.01   0.00    -0.15  -0.12   0.01
     4   6    -0.06   0.05  -0.01    -0.00  -0.00   0.00     0.15   0.22  -0.03
     5   6     0.02  -0.07   0.01     0.01  -0.00  -0.00    -0.08  -0.13   0.02
     6   6     0.04   0.01  -0.00    -0.03   0.01   0.00     0.21   0.02  -0.01
     7   6    -0.06   0.03  -0.02     0.02  -0.02   0.01    -0.02   0.08  -0.01
     8   6     0.05   0.00   0.02    -0.01   0.06   0.01     0.01  -0.15  -0.01
     9   6    -0.01   0.00  -0.00    -0.01   0.01  -0.01     0.01   0.03  -0.01
    10   6     0.02  -0.02   0.00     0.13   0.03  -0.04     0.07  -0.03  -0.01
    11   6    -0.00  -0.04  -0.00    -0.00   0.03   0.00     0.02  -0.02   0.01
    12   6     0.06   0.04   0.02     0.04  -0.05   0.01    -0.12   0.06  -0.03
    13   6    -0.01   0.02  -0.00    -0.04   0.03  -0.01     0.14  -0.06   0.04
    14   6    -0.04  -0.05  -0.02    -0.00  -0.05  -0.01    -0.02   0.10   0.01
    15   7    -0.00  -0.00   0.00     0.05  -0.03   0.01    -0.00  -0.01   0.00
    16   6     0.01   0.02  -0.01    -0.18   0.24  -0.07    -0.01   0.02  -0.01
    17   6    -0.01  -0.02   0.01     0.06  -0.17   0.07     0.03  -0.03   0.01
    18   7     0.00   0.00  -0.00    -0.12   0.00   0.02    -0.08   0.01   0.01
    19   6    -0.01  -0.00   0.00     0.14  -0.15   0.04     0.01  -0.01  -0.00
    20   6    -0.00   0.00  -0.00     0.06   0.21  -0.11    -0.01   0.00  -0.00
    21   6     0.03  -0.01  -0.00     0.05  -0.23   0.09     0.01  -0.01   0.00
    22   6    -0.01   0.01  -0.00    -0.11   0.10  -0.02    -0.02   0.01   0.00
    23   6     0.10  -0.09   0.00    -0.01   0.01  -0.00    -0.04  -0.09  -0.07
    24   6    -0.09  -0.04  -0.03     0.01  -0.02  -0.02     0.01   0.05   0.05
    25   6    -0.04  -0.01   0.01     0.04  -0.06  -0.04    -0.00  -0.01  -0.00
    26   6     0.02   0.05   0.04     0.01   0.02   0.02    -0.01  -0.05  -0.04
    27   6     0.08  -0.02  -0.01     0.02  -0.02  -0.01    -0.06   0.03   0.03
    28   6    -0.09  -0.04  -0.04    -0.02   0.03   0.02     0.07  -0.05  -0.04
    29   6     0.02   0.06   0.05     0.01  -0.02  -0.01    -0.02   0.03   0.02
    30   6     0.07  -0.02  -0.01    -0.03   0.01   0.01     0.04  -0.01  -0.01
    31   6    -0.01   0.08   0.03     0.00  -0.00   0.00    -0.00   0.11   0.05
    32   6    -0.09  -0.00  -0.04    -0.00  -0.00  -0.00    -0.09  -0.05  -0.06
    33   6     0.10  -0.09   0.00    -0.00   0.01   0.00     0.11   0.11   0.09
    34   6    -0.02   0.09   0.04    -0.00  -0.01  -0.00    -0.04  -0.08  -0.05
    35   6    -0.08  -0.00  -0.04     0.01  -0.00   0.00     0.10   0.01   0.05
    36   6     0.02  -0.01  -0.01    -0.08   0.05   0.05    -0.00   0.00   0.00
    37   6     0.02   0.02  -0.00    -0.01  -0.10  -0.01     0.00  -0.01  -0.00
    38   6    -0.04  -0.01   0.02    -0.01   0.15   0.03    -0.00   0.01   0.00
    39   6     0.02  -0.02  -0.01     0.02  -0.07  -0.02     0.00  -0.01  -0.00
    40   6     0.02   0.03  -0.00     0.04   0.07  -0.00     0.00   0.01   0.00
    41   7    -0.05   0.04  -0.00     0.00  -0.00   0.00    -0.02  -0.01  -0.00
    42   7     0.04   0.02   0.02     0.00  -0.01  -0.00    -0.01   0.01  -0.00
    43   7     0.02   0.00  -0.01    -0.00  -0.02   0.01     0.00  -0.00  -0.00
    44   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    45   6     0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
    46   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.01  -0.00  -0.00
    47   6    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    48   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.01  -0.01   0.00
    49   6     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.01  -0.00
    50   6    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.02  -0.01   0.00
    51   6     0.01  -0.01   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.00
    52   6    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.00  -0.00   0.00
    53   6    -0.00  -0.00   0.00    -0.01  -0.00   0.01    -0.00  -0.00   0.00
    54   6    -0.00   0.00  -0.00     0.02   0.00  -0.00     0.00   0.00  -0.00
    55   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    56   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    57   6    -0.00  -0.01   0.00     0.00   0.01   0.00    -0.01  -0.02  -0.00
    58   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    59   6     0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.01   0.00
    60   6     0.01   0.01   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    61   6    -0.00  -0.01   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    62   6    -0.01   0.00  -0.00    -0.01   0.00  -0.00     0.01  -0.01   0.01
    63   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    64   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.00   0.01
    65   6     0.01   0.00  -0.00     0.00   0.00  -0.00     0.03   0.00  -0.01
    66   6    -0.00  -0.01   0.00    -0.00   0.00   0.00    -0.02   0.00   0.00
    67   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00     0.01   0.01  -0.01
    68   6    -0.01   0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.01
    69   6     0.01   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.02   0.00
    70   6    -0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.03  -0.01
    71   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.02   0.01
    72   6     0.00   0.00  -0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    73   6    -0.00  -0.00   0.00     0.01   0.02  -0.02     0.00   0.00  -0.00
    74   6    -0.00   0.00  -0.00    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    75   6     0.00  -0.00   0.00    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    76   6     0.00   0.00  -0.00    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    77   6    -0.00  -0.00   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    78   6    -0.00   0.00  -0.00    -0.02   0.01  -0.01    -0.00   0.00  -0.00
    79   6     0.00  -0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    80   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    81  15    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00   0.00
    82   8    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    83   8    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    84   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    85   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    86   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    87   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    88   1    -0.07   0.14  -0.02     0.04  -0.09   0.00     0.12  -0.10   0.01
    89   1    -0.07   0.17  -0.02     0.02   0.01   0.00    -0.18   0.11  -0.01
    90   1    -0.16   0.06   0.01     0.08  -0.01  -0.00    -0.34   0.14   0.01
    91   1     0.11   0.10   0.04    -0.03  -0.00  -0.01    -0.00  -0.06  -0.01
    92   1     0.11   0.01   0.05     0.10   0.02   0.04    -0.31  -0.01  -0.11
    93   1     0.10   0.14   0.07     0.09   0.06   0.05    -0.19  -0.11  -0.10
    94   1     0.03  -0.01  -0.00    -0.33  -0.10   0.13    -0.01  -0.00   0.01
    95   1     0.01   0.01  -0.01    -0.34  -0.24   0.20    -0.00   0.00  -0.00
    96   1     0.04   0.01  -0.01     0.16   0.07  -0.06     0.04  -0.00  -0.01
    97   1    -0.15  -0.14  -0.13    -0.04  -0.03  -0.03     0.10   0.07   0.09
    98   1    -0.24  -0.01  -0.02    -0.03  -0.02  -0.01     0.10   0.03   0.03
    99   1    -0.15  -0.14  -0.12     0.03   0.00   0.00    -0.04   0.02   0.01
   100   1    -0.25  -0.02  -0.01     0.05   0.01   0.00    -0.05  -0.01  -0.01
   101   1     0.16  -0.26  -0.07    -0.00   0.01   0.00     0.14  -0.17  -0.05
   102   1     0.27  -0.10   0.06    -0.01  -0.00  -0.00     0.11  -0.11  -0.01
   103   1     0.14  -0.26  -0.06    -0.01   0.01   0.00    -0.10   0.04  -0.02
   104   1     0.28  -0.11   0.08    -0.03   0.01  -0.01    -0.15   0.09  -0.04
   105   1    -0.08   0.01   0.04     0.20  -0.00  -0.12     0.01   0.00  -0.00
   106   1    -0.06  -0.06   0.02     0.13   0.04  -0.05     0.00  -0.00  -0.00
   107   1    -0.08   0.00   0.04    -0.04  -0.07   0.00    -0.01  -0.00   0.00
   108   1    -0.08  -0.07   0.02    -0.11  -0.08   0.02    -0.01  -0.01   0.00
   109   1     0.00   0.01  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
   110   1     0.01   0.02   0.00    -0.01  -0.01  -0.00     0.01   0.02   0.00
   111   1     0.01   0.01   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
   112   1    -0.01   0.02  -0.01     0.01  -0.01   0.00    -0.01   0.01  -0.01
   113   1     0.01  -0.02   0.01    -0.00  -0.01   0.00     0.00   0.02  -0.00
   114   1     0.01   0.00   0.01     0.00  -0.00   0.00    -0.00   0.01  -0.00
   115   1     0.02  -0.01   0.01     0.01  -0.01   0.01    -0.03   0.01  -0.01
   116   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.01  -0.00  -0.00
   117   1    -0.01  -0.00   0.00     0.00   0.00  -0.00    -0.01   0.01  -0.00
   118   1    -0.03   0.00   0.01    -0.00   0.00   0.00    -0.06  -0.00   0.02
   119   1    -0.02   0.01   0.00     0.00  -0.00   0.00    -0.00  -0.02   0.01
   120   1    -0.02  -0.02   0.02     0.00   0.00  -0.00    -0.01  -0.03   0.01
   121   1     0.02   0.02  -0.01    -0.00  -0.00   0.00    -0.03  -0.01   0.01
   122   1    -0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.02  -0.01   0.01
   123   1    -0.01   0.03  -0.01     0.00  -0.00   0.00     0.01  -0.05   0.02
   124   1     0.00   0.01  -0.00    -0.00  -0.00   0.00     0.01  -0.01   0.00
   125   1    -0.00   0.00  -0.00    -0.01  -0.00   0.01    -0.00  -0.00   0.00
   126   1     0.00   0.00  -0.00    -0.02  -0.03   0.03    -0.00  -0.00   0.00
   127   1     0.00   0.00  -0.00     0.01  -0.01   0.01     0.00  -0.00   0.00
   128   1    -0.00   0.01  -0.01     0.02  -0.02   0.01     0.00  -0.00   0.00
   129   1     0.00  -0.01   0.01    -0.00  -0.02   0.01     0.00  -0.00   0.00
   130   1     0.01   0.00  -0.00     0.00  -0.01   0.01     0.00  -0.00   0.00
   131   1     0.01  -0.00   0.00     0.04  -0.01   0.01     0.00  -0.00   0.00
   132   1     0.00  -0.00   0.00     0.01   0.01  -0.01     0.00   0.00  -0.00
   133   1     0.00  -0.00  -0.00    -0.01  -0.00  -0.00    -0.00   0.00   0.00
   134   1    -0.00  -0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
   135   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
   136   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
   137   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   138   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
   139   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
   140   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   141   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   142   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
   143  17     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
                    346                    347                    348
                      A                      A                      A
 Frequencies --   1602.3253              1615.9814              1616.6652
 Red. masses --      6.2140                 6.8781                 6.7124
 Frc consts  --      9.3998                10.5826                10.3364
 IR Inten    --      7.4055                 3.5071                 1.8066
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.07   0.01     0.00  -0.02   0.00     0.14   0.09   0.00
     2   6     0.02   0.08  -0.01    -0.00   0.02  -0.00    -0.06  -0.03   0.00
     3   6    -0.09  -0.03  -0.00     0.00  -0.01   0.00     0.10   0.03  -0.00
     4   6     0.09   0.09  -0.01    -0.01   0.00  -0.00    -0.08  -0.10   0.02
     5   6    -0.04  -0.06   0.01     0.01  -0.01   0.00     0.04   0.07  -0.01
     6   6     0.08   0.01  -0.01    -0.02   0.01  -0.00    -0.13  -0.03   0.01
     7   6     0.09  -0.10   0.02     0.01  -0.00   0.00     0.04  -0.03   0.02
     8   6    -0.06   0.20   0.00    -0.00   0.02   0.00    -0.02   0.09   0.00
     9   6     0.00  -0.04   0.01    -0.01   0.00  -0.00    -0.00  -0.02   0.00
    10   6     0.01   0.00  -0.01     0.10   0.02  -0.03    -0.04   0.01   0.01
    11   6    -0.01   0.10   0.01    -0.01   0.01  -0.00    -0.05   0.01  -0.01
    12   6     0.11  -0.13   0.02     0.02  -0.03  -0.00     0.11  -0.08   0.01
    13   6    -0.16   0.08  -0.04    -0.02   0.02  -0.00    -0.11   0.05  -0.03
    14   6     0.03  -0.13  -0.02    -0.00  -0.02  -0.00     0.02  -0.06  -0.00
    15   7     0.00   0.02  -0.01     0.02  -0.01  -0.00     0.00   0.00  -0.00
    16   6     0.02  -0.06   0.03    -0.06   0.08  -0.03     0.01  -0.01   0.00
    17   6    -0.01   0.04  -0.02    -0.01  -0.07   0.04    -0.01   0.01  -0.00
    18   7    -0.03  -0.00   0.01    -0.07  -0.01   0.02     0.04  -0.00  -0.01
    19   6    -0.02   0.03  -0.01     0.06  -0.05   0.01    -0.01   0.00   0.00
    20   6    -0.01  -0.04   0.02     0.00   0.09  -0.04     0.01  -0.00  -0.00
    21   6    -0.03   0.04  -0.01     0.04  -0.15   0.04    -0.01   0.01  -0.00
    22   6     0.04  -0.02   0.00    -0.02   0.06  -0.02     0.01  -0.00  -0.00
    23   6    -0.06  -0.07  -0.06     0.01   0.02   0.01    -0.15  -0.15  -0.12
    24   6     0.06  -0.12  -0.10    -0.03   0.05   0.03    -0.10   0.11   0.08
    25   6    -0.01   0.04   0.01    -0.07   0.29   0.07     0.01  -0.02  -0.01
    26   6     0.01   0.11   0.10     0.00  -0.03  -0.03     0.01  -0.08  -0.07
    27   6     0.11  -0.07  -0.06    -0.03   0.02   0.02    -0.08   0.05   0.04
    28   6    -0.12   0.15   0.12     0.03  -0.04  -0.04     0.07  -0.12  -0.09
    29   6     0.03  -0.10  -0.08    -0.00   0.03   0.03    -0.00   0.09   0.08
    30   6    -0.12   0.05   0.04     0.04  -0.02  -0.02     0.09  -0.05  -0.04
    31   6     0.00   0.08   0.04    -0.00  -0.02  -0.01     0.03   0.13   0.07
    32   6    -0.06  -0.04  -0.04     0.01   0.01   0.01    -0.12  -0.05  -0.08
    33   6     0.08   0.09   0.07    -0.01  -0.02  -0.01     0.12   0.16   0.12
    34   6    -0.02  -0.07  -0.04     0.00   0.02   0.01    -0.03  -0.14  -0.08
    35   6     0.08   0.02   0.04    -0.01  -0.01  -0.01     0.13   0.05   0.08
    36   6     0.03  -0.02  -0.02     0.12  -0.15  -0.08    -0.01   0.01   0.01
    37   6     0.00   0.04   0.01     0.03   0.20   0.02    -0.00  -0.01  -0.00
    38   6     0.01  -0.06  -0.02     0.07  -0.28  -0.08    -0.00   0.02   0.00
    39   6    -0.02   0.03   0.01    -0.12   0.15   0.08     0.01  -0.01  -0.00
    40   6    -0.01  -0.04  -0.00    -0.03  -0.20  -0.02     0.00   0.01   0.00
    41   7    -0.01  -0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.01
    42   7     0.01  -0.02  -0.00    -0.00   0.00   0.00     0.00   0.01   0.01
    43   7    -0.00   0.01  -0.00    -0.01   0.01   0.00    -0.00  -0.00  -0.00
    44   6     0.02  -0.00   0.01    -0.01   0.00  -0.01    -0.04   0.01  -0.02
    45   6    -0.03  -0.01  -0.01     0.02   0.01   0.01     0.04   0.01   0.02
    46   6     0.03   0.01   0.01    -0.01  -0.01  -0.01    -0.04  -0.02  -0.01
    47   6    -0.01  -0.02  -0.00     0.01   0.01   0.00     0.02   0.03   0.00
    48   6     0.00  -0.01   0.00    -0.00   0.01  -0.00     0.01  -0.05   0.01
    49   6    -0.01   0.01  -0.00     0.00  -0.01   0.00    -0.05   0.04  -0.00
    50   6     0.02  -0.01   0.00    -0.00   0.00  -0.00     0.05  -0.04   0.00
    51   6    -0.01   0.00   0.00     0.00   0.00  -0.00    -0.06   0.00   0.01
    52   6    -0.01   0.00   0.00    -0.07   0.01  -0.01     0.00  -0.00   0.00
    53   6     0.01   0.00  -0.00     0.07   0.02  -0.03    -0.00  -0.00   0.00
    54   6    -0.01  -0.00   0.00    -0.07  -0.03   0.03     0.00   0.00  -0.00
    55   6     0.00   0.00  -0.00     0.03   0.05  -0.04    -0.00  -0.00   0.00
    56   6    -0.01  -0.02  -0.00     0.01   0.01   0.00     0.02   0.02   0.00
    57   6     0.02   0.04   0.00    -0.01  -0.02  -0.00    -0.03  -0.05  -0.00
    58   6    -0.02  -0.02  -0.00     0.01   0.01   0.00     0.03   0.02   0.01
    59   6     0.00   0.02  -0.00    -0.00  -0.01   0.00    -0.01  -0.03   0.00
    60   6    -0.01   0.02  -0.01     0.01  -0.01   0.00     0.02  -0.01   0.01
    61   6     0.02  -0.00   0.01    -0.01  -0.00  -0.01    -0.04  -0.01  -0.02
    62   6    -0.04   0.02  -0.02     0.02  -0.01   0.01     0.05  -0.02   0.03
    63   6     0.02  -0.01   0.01    -0.01   0.00  -0.00    -0.03   0.01  -0.01
    64   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00    -0.04   0.01   0.01
    65   6     0.03   0.00  -0.01    -0.01   0.00   0.00     0.08  -0.00  -0.02
    66   6    -0.02   0.00   0.00     0.00  -0.00  -0.00    -0.05   0.03   0.00
    67   6     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.04   0.01  -0.01
    68   6     0.00   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.04  -0.01
    69   6     0.01  -0.02   0.00    -0.00   0.00  -0.00     0.04  -0.05   0.01
    70   6    -0.00   0.03  -0.01     0.00  -0.01   0.00    -0.02   0.08  -0.02
    71   6     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.01  -0.04   0.01
    72   6     0.00   0.00  -0.00     0.03   0.03  -0.03    -0.00  -0.00   0.00
    73   6    -0.00  -0.01   0.01    -0.04  -0.07   0.07     0.00   0.00  -0.00
    74   6     0.00   0.00  -0.00     0.06   0.03  -0.04    -0.00  -0.00   0.00
    75   6     0.00  -0.00   0.00    -0.01  -0.04   0.03     0.00   0.00  -0.00
    76   6     0.00  -0.00   0.00     0.04  -0.02   0.01    -0.00   0.00  -0.00
    77   6    -0.01   0.00   0.00    -0.07  -0.01   0.01     0.00   0.00  -0.00
    78   6     0.01  -0.00   0.00     0.10  -0.02   0.01    -0.01   0.00  -0.00
    79   6    -0.01   0.00  -0.00    -0.05   0.01  -0.00     0.00  -0.00   0.00
    80   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    81  15    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    82   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    83   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    84   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    85   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    86   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    87   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    88   1     0.08  -0.10   0.01     0.02  -0.04  -0.00    -0.05  -0.07   0.01
    89   1    -0.07   0.02  -0.00     0.00   0.03  -0.00     0.10  -0.07   0.01
    90   1    -0.12   0.06   0.01     0.04  -0.00  -0.00     0.17  -0.09   0.01
    91   1    -0.11  -0.04  -0.03    -0.00   0.02  -0.00     0.03   0.11   0.02
    92   1     0.32   0.02   0.12     0.03   0.01   0.01     0.19   0.02   0.05
    93   1     0.20   0.09   0.10     0.03   0.03   0.02     0.12   0.06   0.06
    94   1     0.02   0.03  -0.02    -0.15  -0.03   0.05     0.01  -0.00  -0.00
    95   1     0.05   0.03  -0.03    -0.12  -0.04   0.03     0.00  -0.01   0.00
    96   1    -0.07  -0.01   0.02    -0.01   0.05  -0.04    -0.02  -0.00   0.01
    97   1    -0.19  -0.12  -0.14     0.05   0.02   0.02     0.12   0.05   0.04
    98   1    -0.16  -0.08  -0.07     0.05   0.02   0.02     0.11   0.05   0.05
    99   1     0.15   0.03   0.03    -0.05  -0.02  -0.02    -0.14  -0.06  -0.06
   100   1     0.20   0.06   0.03    -0.06  -0.02  -0.02    -0.15  -0.06  -0.05
   101   1     0.09  -0.11  -0.02    -0.02   0.02   0.00     0.15  -0.13   0.01
   102   1     0.07  -0.08  -0.01    -0.01   0.01   0.00     0.15  -0.13   0.00
   103   1    -0.09   0.07  -0.01     0.02  -0.02  -0.00    -0.16   0.15   0.00
   104   1    -0.12   0.08  -0.03     0.01  -0.01  -0.00    -0.17   0.14  -0.01
   105   1    -0.06  -0.01   0.03    -0.25  -0.08   0.10     0.02   0.00  -0.01
   106   1    -0.04  -0.01   0.02    -0.24  -0.08   0.09     0.02   0.01  -0.01
   107   1     0.04   0.02  -0.01     0.25   0.08  -0.10    -0.01  -0.00   0.01
   108   1     0.06   0.03  -0.01     0.26   0.10  -0.09    -0.01  -0.00   0.01
   109   1    -0.02  -0.01  -0.01     0.01   0.00   0.00     0.03   0.01   0.01
   110   1    -0.03  -0.07  -0.00     0.01   0.03  -0.00     0.03   0.08  -0.00
   111   1     0.02  -0.02   0.01    -0.02   0.01  -0.01    -0.05   0.01  -0.02
   112   1     0.03  -0.02   0.02    -0.01   0.01  -0.01    -0.04   0.02  -0.02
   113   1    -0.01  -0.04   0.00     0.01   0.01   0.00     0.02   0.04   0.00
   114   1    -0.01  -0.03   0.00     0.01   0.02   0.00     0.03   0.05   0.01
   115   1     0.06  -0.03   0.03    -0.02   0.02  -0.01    -0.06   0.04  -0.04
   116   1     0.02   0.01   0.01    -0.01  -0.00  -0.00    -0.03  -0.01  -0.01
   117   1    -0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.04   0.03   0.00
   118   1    -0.05  -0.00   0.01     0.01   0.00  -0.00    -0.11  -0.01   0.03
   119   1    -0.00  -0.02   0.01    -0.00   0.01  -0.00     0.02  -0.07   0.02
   120   1    -0.00  -0.02   0.01    -0.00   0.01  -0.00     0.01  -0.06   0.02
   121   1    -0.03  -0.01   0.01     0.01  -0.00  -0.00    -0.06   0.00   0.02
   122   1    -0.02  -0.00   0.01     0.01  -0.00  -0.00    -0.07   0.01   0.02
   123   1     0.00  -0.05   0.01    -0.00   0.01  -0.00     0.00  -0.11   0.04
   124   1     0.01  -0.01   0.00    -0.00   0.00   0.00     0.03  -0.03   0.00
   125   1     0.01   0.00  -0.00     0.05   0.02  -0.02    -0.00  -0.00   0.00
   126   1     0.01   0.01  -0.01     0.03   0.11  -0.10    -0.00  -0.01   0.01
   127   1    -0.01   0.00  -0.00    -0.10   0.02  -0.01     0.01  -0.00   0.00
   128   1    -0.01   0.00  -0.00    -0.07   0.02  -0.01     0.00  -0.00   0.00
   129   1     0.00   0.01  -0.01     0.03   0.05  -0.05    -0.00  -0.00   0.00
   130   1     0.00   0.01  -0.01     0.04   0.06  -0.06    -0.00  -0.00   0.00
   131   1    -0.02   0.01  -0.00    -0.14   0.05  -0.04     0.01  -0.00   0.00
   132   1    -0.01  -0.00   0.00    -0.05  -0.01   0.02     0.00   0.00  -0.00
   133   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
   134   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   135   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
   136   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   137   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   138   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   139   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   140   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   141   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
   142   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   143  17    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
                    349                    350                    351
                      A                      A                      A
 Frequencies --   1621.8786              1628.9925              1629.1232
 Red. masses --      7.2722                 5.9043                 5.9064
 Frc consts  --     11.2707                 9.2311                 9.2360
 IR Inten    --     10.3967                 0.2587                 0.1629
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.12  -0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     2   6    -0.05  -0.08   0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6     0.13   0.04   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.11  -0.11   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.04   0.08  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.10  -0.04   0.01     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.12   0.08  -0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.07  -0.17   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9   6    -0.00   0.03  -0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    10   6    -0.03  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.04  -0.09   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    12   6    -0.14   0.18  -0.01     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    13   6     0.16  -0.10   0.03    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   6    -0.02   0.12   0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   7    -0.00  -0.01   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    16   6    -0.01   0.05  -0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   6    -0.01  -0.03   0.02    -0.00   0.00  -0.00     0.00   0.00  -0.00
    18   7     0.04   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   6     0.02  -0.03   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    20   6     0.01   0.04  -0.02    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   6     0.03  -0.06   0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    22   6    -0.03   0.03  -0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6    -0.08  -0.10  -0.07     0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   6     0.11  -0.13  -0.09     0.00   0.00   0.00     0.00  -0.00  -0.00
    25   6    -0.01   0.05   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   6    -0.02   0.09   0.07    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    27   6     0.09  -0.05  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
    28   6    -0.08   0.11   0.09     0.00   0.00  -0.00     0.00   0.00   0.00
    29   6     0.00  -0.09  -0.08     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   6    -0.09   0.06   0.05    -0.00  -0.00  -0.00     0.00   0.00   0.00
    31   6     0.02   0.07   0.04    -0.00   0.00  -0.00    -0.00   0.00   0.00
    32   6    -0.07  -0.02  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
    33   6     0.07   0.08   0.06     0.00  -0.00  -0.00     0.00   0.00   0.00
    34   6    -0.01  -0.08  -0.04     0.00   0.00   0.00     0.00  -0.00   0.00
    35   6     0.07   0.03   0.04    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    36   6     0.02  -0.03  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    37   6     0.01   0.03   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    38   6     0.01  -0.04  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    39   6    -0.02   0.02   0.01    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    40   6    -0.00  -0.03  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    41   7     0.00   0.00  -0.01    -0.00   0.00  -0.00     0.01  -0.01   0.00
    42   7    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    43   7     0.00  -0.00   0.00    -0.02  -0.01   0.01    -0.00  -0.00   0.00
    44   6     0.06  -0.02   0.03     0.00  -0.00   0.00     0.02  -0.01   0.01
    45   6    -0.07  -0.03  -0.03    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    46   6     0.07   0.03   0.03    -0.00  -0.00  -0.00    -0.02   0.00  -0.01
    47   6    -0.03  -0.06  -0.00     0.00   0.00  -0.00     0.01   0.02  -0.00
    48   6     0.01  -0.05   0.01     0.00  -0.00   0.00    -0.00   0.23  -0.08
    49   6    -0.04   0.04  -0.00    -0.00   0.00   0.00     0.17  -0.05  -0.03
    50   6     0.04  -0.04   0.00    -0.00   0.00  -0.00     0.07  -0.16   0.03
    51   6    -0.05   0.00   0.01     0.00   0.00  -0.00    -0.23  -0.03   0.07
    52   6    -0.02   0.00  -0.00     0.22  -0.08   0.06     0.00  -0.00   0.00
    53   6     0.02   0.01  -0.01    -0.11  -0.10   0.10    -0.00  -0.00   0.00
    54   6    -0.02  -0.01   0.01    -0.18   0.00   0.01    -0.00   0.00   0.00
    55   6     0.01   0.01  -0.01     0.05   0.18  -0.16     0.00   0.00  -0.00
    56   6    -0.03  -0.03  -0.01     0.00   0.00   0.00     0.01   0.00   0.00
    57   6     0.05   0.07   0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    58   6    -0.06  -0.03  -0.02     0.00   0.00   0.00     0.02   0.01   0.01
    59   6     0.02   0.04   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    60   6    -0.03   0.01  -0.02    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    61   6     0.07   0.02   0.03     0.00   0.00   0.00     0.02   0.01   0.01
    62   6    -0.07   0.02  -0.04    -0.00   0.00  -0.00    -0.02   0.00  -0.01
    63   6     0.04  -0.00   0.02     0.00   0.00   0.00     0.01   0.01   0.00
    64   6    -0.03   0.01   0.00     0.00  -0.00   0.00    -0.07   0.09  -0.01
    65   6     0.06  -0.01  -0.01    -0.00   0.00   0.00     0.20  -0.05  -0.03
    66   6    -0.04   0.03   0.00     0.00  -0.00  -0.00    -0.18   0.14   0.00
    67   6     0.03  -0.00  -0.01    -0.00  -0.00   0.00     0.14   0.00  -0.04
    68   6    -0.01   0.03  -0.01    -0.00   0.00  -0.00     0.02  -0.14   0.04
    69   6     0.04  -0.04   0.00     0.00  -0.00   0.00    -0.17   0.15  -0.01
    70   6    -0.02   0.06  -0.02    -0.00   0.00  -0.00     0.08  -0.19   0.04
    71   6     0.02  -0.03   0.01     0.00  -0.00  -0.00    -0.10   0.05   0.01
    72   6     0.01   0.01  -0.01     0.11   0.02  -0.02     0.00   0.00  -0.00
    73   6    -0.01  -0.02   0.02    -0.12  -0.12   0.12    -0.00  -0.00   0.00
    74   6     0.02   0.01  -0.01     0.20   0.08  -0.08     0.00   0.00  -0.00
    75   6    -0.00  -0.01   0.01    -0.05  -0.10   0.10    -0.00  -0.00   0.00
    76   6     0.01  -0.00   0.00    -0.14   0.04  -0.03    -0.00   0.00  -0.00
    77   6    -0.02  -0.01   0.01     0.20   0.06  -0.07     0.00   0.00  -0.00
    78   6     0.02  -0.00   0.00    -0.21   0.01   0.00    -0.00   0.00   0.00
    79   6    -0.01  -0.00   0.00     0.08   0.05  -0.05     0.00   0.00  -0.00
    80   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    81  15     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    82   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    83   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    84   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    85   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    86   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    87   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    88   1    -0.10   0.07   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    89   1     0.09  -0.05   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    90   1     0.11  -0.08   0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
    91   1     0.08  -0.04   0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    92   1    -0.25  -0.05  -0.08     0.00   0.00   0.00    -0.00  -0.00  -0.00
    93   1    -0.18  -0.08  -0.09     0.00   0.00   0.00    -0.00   0.00  -0.00
    94   1    -0.02  -0.02   0.02     0.00   0.00  -0.00    -0.00   0.00  -0.00
    95   1    -0.04  -0.02   0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    96   1     0.03   0.02  -0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    97   1    -0.12  -0.04  -0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
    98   1    -0.14  -0.05  -0.04     0.00   0.00   0.00    -0.00  -0.00  -0.00
    99   1     0.14   0.07   0.06    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
   100   1     0.14   0.06   0.06     0.00  -0.00  -0.00    -0.00   0.00   0.00
   101   1     0.09  -0.07   0.01     0.00  -0.00  -0.00     0.00  -0.01  -0.00
   102   1     0.10  -0.07   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
   103   1    -0.09   0.08   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
   104   1    -0.08   0.07   0.01     0.00  -0.00   0.00     0.01  -0.00   0.00
   105   1    -0.04  -0.02   0.01    -0.01   0.00   0.00    -0.00   0.00   0.00
   106   1    -0.04  -0.02   0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
   107   1     0.04   0.01  -0.02    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   108   1     0.04   0.01  -0.02    -0.01  -0.01   0.00    -0.00  -0.00   0.00
   109   1    -0.04  -0.03  -0.01     0.00   0.00  -0.00     0.00   0.02  -0.00
   110   1    -0.04  -0.12   0.00     0.00   0.00  -0.00     0.01   0.03  -0.00
   111   1     0.08  -0.02   0.04    -0.00   0.00  -0.00    -0.03   0.00  -0.01
   112   1     0.05  -0.01   0.03    -0.00   0.00  -0.00    -0.02   0.00  -0.01
   113   1    -0.04  -0.04  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
   114   1    -0.06  -0.07  -0.01    -0.00  -0.00  -0.00    -0.02  -0.02  -0.01
   115   1     0.09  -0.06   0.05     0.00  -0.00   0.00     0.02  -0.02   0.01
   116   1     0.04   0.01   0.02     0.00  -0.00   0.00     0.01  -0.01   0.01
   117   1    -0.03   0.02   0.00     0.00   0.00  -0.00    -0.15  -0.08   0.07
   118   1    -0.09  -0.02   0.03     0.00   0.00  -0.00    -0.25  -0.08   0.09
   119   1     0.02  -0.06   0.01    -0.00   0.00  -0.00     0.15  -0.31   0.06
   120   1     0.02  -0.04   0.01    -0.00   0.00  -0.00     0.09  -0.17   0.04
   121   1    -0.04   0.01   0.01    -0.00   0.00   0.00     0.19  -0.06  -0.03
   122   1    -0.07   0.01   0.01    -0.00   0.00   0.00     0.33  -0.10  -0.05
   123   1    -0.00  -0.09   0.03    -0.00  -0.00   0.00     0.04   0.26  -0.10
   124   1     0.02  -0.03   0.00    -0.00  -0.00   0.00     0.06   0.16  -0.07
   125   1     0.01   0.01  -0.01    -0.02   0.14  -0.12    -0.00   0.00  -0.00
   126   1     0.01   0.03  -0.02     0.01   0.21  -0.19     0.00   0.00  -0.00
   127   1    -0.03   0.00  -0.00    -0.35   0.00   0.02    -0.00   0.00   0.00
   128   1    -0.02   0.00   0.00    -0.20  -0.00   0.01    -0.00   0.00   0.00
   129   1     0.01   0.01  -0.01    -0.12  -0.11   0.11    -0.00  -0.00   0.00
   130   1     0.01   0.02  -0.02    -0.22  -0.20   0.19    -0.00  -0.00   0.00
   131   1    -0.03   0.01  -0.01     0.23  -0.12   0.10     0.00  -0.00   0.00
   132   1    -0.01  -0.00   0.00     0.14  -0.10   0.08     0.00  -0.00   0.00
   133   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
   134   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
   135   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
   136   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
   137   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
   138   1     0.00   0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
   139   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   140   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
   141   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
   142   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
   143  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
                    352                    353                    354
                      A                      A                      A
 Frequencies --   1629.1709              1631.4150              1631.6123
 Red. masses --      5.9057                 6.8082                 6.7941
 Frc consts  --      9.2353                10.6761                10.6565
 IR Inten    --      0.1441                 0.9102                 0.1453
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.03   0.02   0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.01  -0.00    -0.02   0.00  -0.00
     3   6     0.00   0.00   0.00     0.01  -0.00   0.00     0.02  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.01   0.00   0.00    -0.02  -0.01   0.00
     5   6     0.00  -0.00  -0.00     0.01  -0.00   0.00     0.01   0.01  -0.00
     6   6    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.03  -0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.01   0.00   0.00
     8   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
     9   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   6    -0.00   0.00  -0.00     0.03   0.00  -0.01    -0.00   0.00   0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    12   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.02  -0.01   0.00
    13   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.02   0.01  -0.01
    14   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
    15   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    16   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    17   6    -0.00   0.00  -0.00    -0.00  -0.01   0.01    -0.00   0.00  -0.00
    18   7     0.00  -0.00   0.00    -0.02  -0.00   0.01     0.01  -0.00  -0.00
    19   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
    20   6    -0.00  -0.00   0.00    -0.00   0.02  -0.01     0.00   0.00  -0.00
    21   6    -0.00   0.00  -0.00     0.01  -0.04   0.01    -0.00   0.00   0.00
    22   6     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00  -0.00
    23   6    -0.00   0.00  -0.00     0.00   0.01   0.00    -0.05  -0.06  -0.04
    24   6    -0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.03   0.04   0.03
    25   6     0.00  -0.00  -0.00    -0.03   0.10   0.03     0.00  -0.00  -0.00
    26   6     0.00   0.00   0.00    -0.00  -0.01  -0.01     0.00  -0.03  -0.03
    27   6    -0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.03   0.02   0.02
    28   6     0.00   0.00   0.00     0.01  -0.01  -0.01     0.03  -0.06  -0.04
    29   6    -0.00  -0.00   0.00    -0.00   0.01   0.00    -0.01   0.03   0.03
    30   6     0.00   0.00  -0.00     0.01  -0.00  -0.00     0.04  -0.02  -0.01
    31   6     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.01   0.06   0.03
    32   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.05  -0.03  -0.03
    33   6    -0.00  -0.00   0.00    -0.01  -0.01  -0.00     0.07   0.08   0.05
    34   6    -0.00   0.00  -0.00     0.00   0.01   0.00    -0.02  -0.05  -0.03
    35   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.06   0.02   0.03
    36   6    -0.00   0.00   0.00     0.05  -0.05  -0.03    -0.00   0.00   0.00
    37   6    -0.00  -0.00  -0.00     0.00   0.08   0.01     0.00  -0.00  -0.00
    38   6     0.00   0.00  -0.00     0.04  -0.13  -0.02    -0.00   0.00   0.00
    39   6    -0.00   0.00   0.00    -0.04   0.06   0.03     0.00  -0.00  -0.00
    40   6    -0.00  -0.00   0.00    -0.02  -0.08  -0.01     0.00   0.00   0.00
    41   7    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.04  -0.05   0.02
    42   7    -0.02  -0.01  -0.01    -0.00   0.01  -0.00    -0.01   0.04  -0.01
    43   7     0.00   0.00  -0.00    -0.03   0.06  -0.04     0.00  -0.00   0.00
    44   6     0.18  -0.12   0.11     0.02  -0.01   0.01     0.09  -0.02   0.05
    45   6    -0.12  -0.13  -0.03    -0.02  -0.01  -0.01    -0.12  -0.06  -0.04
    46   6    -0.16   0.01  -0.08     0.03   0.01   0.01     0.12   0.04   0.05
    47   6     0.08   0.23  -0.01    -0.01  -0.02  -0.00    -0.06  -0.09  -0.01
    48   6     0.00  -0.02   0.01     0.00  -0.01   0.00    -0.04   0.15  -0.04
    49   6    -0.02   0.01   0.00    -0.02   0.01   0.00     0.17  -0.12  -0.01
    50   6    -0.01   0.02  -0.00     0.01  -0.01   0.00    -0.14   0.15  -0.01
    51   6     0.02   0.00  -0.01    -0.01   0.00   0.00     0.16  -0.02  -0.03
    52   6    -0.00   0.00  -0.00     0.19  -0.03   0.01    -0.00   0.00  -0.00
    53   6     0.00   0.00  -0.00    -0.21  -0.10   0.10     0.00   0.00  -0.00
    54   6     0.00  -0.00  -0.00     0.23   0.06  -0.07    -0.00  -0.00   0.00
    55   6    -0.00  -0.00   0.00    -0.09  -0.12   0.11     0.00   0.00  -0.00
    56   6     0.10   0.01   0.05    -0.01  -0.00  -0.01    -0.07  -0.01  -0.03
    57   6    -0.14  -0.16  -0.03     0.02   0.02   0.00     0.07   0.08   0.02
    58   6     0.19   0.09   0.07    -0.03  -0.01  -0.01    -0.12  -0.04  -0.05
    59   6    -0.07  -0.13  -0.00     0.01   0.01   0.00     0.06   0.03   0.02
    60   6    -0.12   0.06  -0.07    -0.01  -0.00  -0.01    -0.06  -0.02  -0.02
    61   6     0.20   0.07   0.08     0.02   0.01   0.01     0.11   0.06   0.04
    62   6    -0.19   0.02  -0.09    -0.02   0.00  -0.01    -0.10   0.01  -0.05
    63   6     0.09   0.07   0.03     0.01   0.01   0.00     0.06   0.04   0.02
    64   6     0.01  -0.01   0.00    -0.01   0.01  -0.00     0.07  -0.09   0.01
    65   6    -0.02   0.00   0.00     0.01  -0.00  -0.00    -0.16   0.05   0.02
    66   6     0.02  -0.01  -0.00    -0.01   0.01  -0.00     0.14  -0.14   0.01
    67   6    -0.01  -0.00   0.00     0.01  -0.00  -0.00    -0.08   0.06   0.00
    68   6    -0.00   0.01  -0.00    -0.01   0.01  -0.00     0.07  -0.07   0.01
    69   6     0.02  -0.02   0.00     0.01  -0.01  -0.00    -0.16   0.12   0.00
    70   6    -0.01   0.02  -0.00    -0.01   0.01  -0.00     0.07  -0.15   0.03
    71   6     0.01  -0.01  -0.00     0.01  -0.00  -0.00    -0.10   0.05   0.01
    72   6    -0.00  -0.00   0.00    -0.13  -0.02   0.03     0.00   0.00  -0.00
    73   6     0.00   0.00  -0.00     0.12   0.11  -0.11    -0.00  -0.00   0.00
    74   6    -0.00  -0.00   0.00    -0.22  -0.06   0.07     0.00   0.00  -0.00
    75   6     0.00   0.00  -0.00     0.10   0.04  -0.04    -0.00  -0.00   0.00
    76   6     0.00  -0.00   0.00    -0.11  -0.03   0.03     0.00   0.00  -0.00
    77   6    -0.00  -0.00   0.00     0.20   0.09  -0.09    -0.00  -0.00   0.00
    78   6     0.00  -0.00  -0.00    -0.20  -0.00   0.01     0.00   0.00  -0.00
    79   6    -0.00  -0.00   0.00     0.10   0.06  -0.06    -0.00  -0.00   0.00
    80   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    81  15     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    82   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    83   8    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    84   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    85   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    86   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    87   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    88   1    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00  -0.03   0.01
    89   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.02  -0.01   0.00
    90   1     0.00  -0.00  -0.00     0.02  -0.00  -0.00     0.04  -0.02   0.00
    91   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.04   0.01
    92   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.03   0.00   0.01
    93   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.01   0.00   0.01
    94   1     0.00   0.00  -0.00    -0.03  -0.00   0.01     0.00  -0.00  -0.00
    95   1     0.00   0.00  -0.00    -0.02  -0.00  -0.00    -0.00  -0.00   0.00
    96   1    -0.00  -0.00   0.00    -0.01   0.01  -0.01    -0.00   0.00   0.00
    97   1    -0.00  -0.01  -0.01     0.01   0.01   0.01     0.05   0.02   0.02
    98   1    -0.00  -0.00  -0.00     0.01   0.00   0.00     0.03   0.02   0.02
    99   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00    -0.05  -0.01  -0.01
   100   1    -0.01  -0.00   0.00    -0.01  -0.00  -0.00    -0.06  -0.02  -0.01
   101   1    -0.00   0.00   0.00    -0.01   0.01   0.00     0.06  -0.06  -0.00
   102   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.05  -0.06  -0.01
   103   1    -0.00   0.00   0.00     0.01  -0.00   0.00    -0.06   0.04  -0.01
   104   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.08   0.06  -0.01
   105   1     0.00  -0.00  -0.00    -0.10  -0.02   0.04     0.00   0.00  -0.00
   106   1     0.00   0.00  -0.00    -0.08  -0.01   0.04     0.00  -0.00  -0.00
   107   1     0.00   0.00  -0.00     0.08   0.04  -0.02    -0.00  -0.00   0.00
   108   1     0.00   0.00  -0.00     0.10   0.05  -0.03    -0.00  -0.00   0.00
   109   1     0.01   0.18  -0.03    -0.01  -0.02  -0.00    -0.03  -0.07  -0.00
   110   1     0.05   0.27  -0.03    -0.01  -0.03   0.00    -0.02  -0.14   0.02
   111   1    -0.32   0.02  -0.15     0.04   0.00   0.02     0.16   0.00   0.07
   112   1    -0.18   0.01  -0.09     0.01   0.01   0.00     0.05   0.05   0.01
   113   1    -0.14  -0.14  -0.03    -0.01   0.00  -0.01    -0.07   0.00  -0.03
   114   1    -0.24  -0.25  -0.06    -0.03  -0.02  -0.01    -0.13  -0.12  -0.04
   115   1     0.18  -0.18   0.12     0.02  -0.02   0.01     0.09  -0.10   0.06
   116   1     0.10  -0.14   0.07     0.01  -0.01   0.01     0.07  -0.04   0.04
   117   1     0.01   0.01  -0.01    -0.01   0.00   0.00     0.12   0.01  -0.03
   118   1     0.02   0.01  -0.01    -0.02  -0.01   0.01     0.20   0.07  -0.08
   119   1    -0.01   0.03  -0.01     0.01  -0.02   0.00    -0.14   0.23  -0.04
   120   1    -0.01   0.02  -0.00     0.01  -0.00  -0.00    -0.10   0.04   0.01
   121   1    -0.02   0.01   0.00    -0.00   0.01  -0.00     0.05  -0.10   0.02
   122   1    -0.03   0.01   0.00    -0.02   0.01   0.00     0.25  -0.10  -0.03
   123   1    -0.00  -0.03   0.01    -0.00  -0.02   0.01     0.04   0.20  -0.08
   124   1    -0.01  -0.02   0.01     0.00  -0.01   0.00    -0.01   0.12  -0.04
   125   1     0.00  -0.00   0.00    -0.04  -0.10   0.09     0.00   0.00  -0.00
   126   1    -0.00  -0.00   0.00     0.00  -0.19   0.17    -0.00   0.00  -0.00
   127   1     0.00  -0.00  -0.00     0.31   0.02  -0.04    -0.00  -0.00   0.00
   128   1     0.00   0.00  -0.00     0.08   0.07  -0.07    -0.00  -0.00   0.00
   129   1     0.00   0.00  -0.00    -0.13  -0.00   0.01     0.00  -0.00   0.00
   130   1     0.00   0.00  -0.00    -0.22  -0.17   0.17     0.00   0.00  -0.00
   131   1    -0.00   0.00  -0.00     0.21  -0.12   0.10    -0.00   0.00  -0.00
   132   1    -0.00   0.00  -0.00     0.14  -0.04   0.03    -0.00   0.00  -0.00
   133   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
   134   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
   135   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   136   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   137   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
   138   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
   139   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
   140   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   141   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
   142   1     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
   143  17    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
                    355                    356                    357
                      A                      A                      A
 Frequencies --   1631.9522              1644.5928              1651.3894
 Red. masses --      6.8720                 6.4586                 6.6055
 Frc consts  --     10.7832                10.2921                10.6135
 IR Inten    --      1.2958               103.8258                15.0407
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03   0.00     0.10  -0.11   0.00     0.00  -0.00   0.00
     2   6     0.01   0.02  -0.00    -0.09   0.17  -0.01    -0.00   0.01  -0.00
     3   6    -0.03  -0.01  -0.00     0.12  -0.10   0.01    -0.00  -0.00   0.00
     4   6     0.03   0.02  -0.00    -0.10   0.05  -0.01     0.00   0.00  -0.00
     5   6    -0.01  -0.02   0.00     0.12  -0.14   0.01     0.00  -0.00   0.00
     6   6     0.02   0.01  -0.00    -0.19   0.09  -0.00    -0.00   0.00  -0.00
     7   6     0.04  -0.02   0.01     0.00   0.06   0.01     0.01   0.00   0.00
     8   6    -0.02   0.04  -0.00    -0.00  -0.04  -0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.01   0.00    -0.02  -0.02   0.00     0.00   0.00   0.00
    10   6     0.01   0.00  -0.00     0.23   0.06  -0.07    -0.01  -0.00   0.00
    11   6    -0.02   0.02  -0.00    -0.04  -0.07  -0.02    -0.01  -0.01  -0.00
    12   6     0.04  -0.05   0.00     0.03   0.05   0.02     0.01   0.00   0.00
    13   6    -0.04   0.03  -0.01    -0.04  -0.02  -0.02    -0.01  -0.00  -0.00
    14   6     0.01  -0.03  -0.00     0.04   0.05   0.02     0.01   0.01   0.00
    15   7     0.00   0.00  -0.00     0.00   0.02  -0.01    -0.00  -0.00   0.00
    16   6     0.00  -0.01   0.01    -0.05  -0.10   0.06     0.00  -0.00   0.00
    17   6     0.00   0.01  -0.00     0.13   0.09  -0.07     0.00   0.00  -0.00
    18   7    -0.01  -0.00   0.00    -0.18  -0.04   0.05     0.00   0.00  -0.00
    19   6    -0.00   0.01  -0.00     0.14   0.06  -0.06    -0.00   0.00  -0.00
    20   6    -0.00  -0.01   0.00    -0.15  -0.14   0.10    -0.00  -0.00   0.00
    21   6    -0.01   0.01  -0.00     0.11   0.09  -0.06    -0.00   0.01  -0.00
    22   6     0.00  -0.01   0.00    -0.13  -0.03   0.04    -0.00  -0.00   0.00
    23   6     0.04   0.05   0.03    -0.04   0.05   0.00    -0.00   0.00   0.00
    24   6    -0.06   0.07   0.05    -0.01  -0.02  -0.02    -0.01   0.00   0.00
    25   6     0.00  -0.02  -0.00    -0.04  -0.03   0.01     0.01  -0.04  -0.01
    26   6     0.00  -0.05  -0.05     0.01   0.01   0.01     0.00  -0.00   0.00
    27   6    -0.06   0.04   0.03     0.00  -0.01  -0.01    -0.01   0.00   0.00
    28   6     0.06  -0.09  -0.06    -0.00   0.01   0.01     0.00  -0.00  -0.00
    29   6    -0.01   0.06   0.05    -0.01  -0.01  -0.01    -0.00   0.00   0.00
    30   6     0.06  -0.03  -0.02     0.00   0.01   0.01     0.01  -0.00  -0.00
    31   6    -0.01  -0.04  -0.02     0.03  -0.05  -0.01     0.00  -0.00  -0.00
    32   6     0.04   0.02   0.02    -0.04   0.02  -0.00    -0.00   0.00   0.00
    33   6    -0.05  -0.06  -0.04     0.01  -0.02  -0.00    -0.00  -0.00  -0.00
    34   6     0.01   0.04   0.02    -0.03   0.04   0.01    -0.00   0.00   0.00
    35   6    -0.04  -0.01  -0.02     0.04  -0.03   0.01     0.00  -0.00  -0.00
    36   6    -0.01   0.01   0.01     0.02   0.01  -0.01    -0.02   0.02   0.01
    37   6    -0.00  -0.01  -0.00    -0.02  -0.02   0.00     0.00  -0.03  -0.01
    38   6    -0.01   0.02   0.00     0.01   0.01  -0.00    -0.02   0.06   0.01
    39   6     0.01  -0.01  -0.00    -0.01  -0.01   0.00     0.01  -0.03  -0.01
    40   6     0.00   0.01   0.00     0.02   0.02  -0.00     0.01   0.03   0.00
    41   7     0.03   0.03  -0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    42   7    -0.02   0.06  -0.01     0.00  -0.00   0.00    -0.00   0.01  -0.00
    43   7     0.00  -0.01   0.01     0.00  -0.00  -0.00     0.03  -0.04   0.03
    44   6     0.13  -0.04   0.07    -0.00  -0.00  -0.00     0.01  -0.02   0.01
    45   6    -0.17  -0.10  -0.06     0.00   0.00   0.00     0.00   0.02  -0.00
    46   6     0.18   0.05   0.07    -0.01   0.00  -0.00    -0.01   0.01  -0.01
    47   6    -0.09  -0.13  -0.02     0.00  -0.00   0.00     0.00  -0.02   0.01
    48   6     0.03  -0.09   0.02     0.00   0.01  -0.00    -0.00  -0.00   0.00
    49   6    -0.11   0.07   0.00    -0.02  -0.01   0.01     0.00   0.00  -0.00
    50   6     0.09  -0.10   0.01     0.01   0.01  -0.00     0.00   0.00  -0.00
    51   6    -0.10   0.01   0.02    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    52   6    -0.02   0.00  -0.00    -0.00  -0.00   0.00    -0.12   0.12  -0.10
    53   6     0.03   0.01  -0.01     0.00  -0.00   0.00    -0.01  -0.13   0.11
    54   6    -0.03  -0.01   0.01    -0.01   0.00  -0.00     0.14  -0.07   0.06
    55   6     0.01   0.02  -0.01     0.00  -0.00   0.00    -0.06   0.15  -0.13
    56   6    -0.10  -0.02  -0.04     0.01  -0.01   0.00     0.01  -0.02   0.01
    57   6     0.11   0.11   0.03    -0.00   0.00  -0.00    -0.00   0.02  -0.00
    58   6    -0.17  -0.05  -0.07     0.01  -0.00   0.00     0.01  -0.01   0.01
    59   6     0.08   0.04   0.03    -0.00   0.00  -0.00    -0.01   0.02  -0.01
    60   6    -0.09  -0.03  -0.03     0.00   0.00  -0.00    -0.00   0.02  -0.01
    61   6     0.16   0.09   0.06    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
    62   6    -0.15   0.01  -0.07     0.00   0.00   0.00    -0.01   0.02  -0.01
    63   6     0.09   0.06   0.03    -0.00  -0.01   0.00     0.00  -0.03   0.01
    64   6    -0.04   0.06  -0.01    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    65   6     0.10  -0.03  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    66   6    -0.09   0.09  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    67   6     0.05  -0.04  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    68   6    -0.05   0.04  -0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    69   6     0.10  -0.07  -0.00     0.01  -0.00  -0.00    -0.00  -0.00   0.00
    70   6    -0.05   0.09  -0.02    -0.01  -0.01   0.00     0.00   0.00  -0.00
    71   6     0.06  -0.03  -0.01     0.02   0.01  -0.01    -0.00  -0.00   0.00
    72   6     0.02   0.00  -0.00     0.01  -0.01   0.01    -0.17   0.16  -0.13
    73   6    -0.02  -0.01   0.01    -0.00   0.00  -0.00     0.04  -0.13   0.11
    74   6     0.03   0.01  -0.01     0.01  -0.00   0.00    -0.11   0.05  -0.04
    75   6    -0.01  -0.00   0.01    -0.01   0.00  -0.00     0.15  -0.14   0.12
    76   6     0.01   0.00  -0.00     0.00   0.00  -0.00     0.06  -0.17   0.15
    77   6    -0.03  -0.01   0.01    -0.00  -0.00   0.00     0.01   0.09  -0.09
    78   6     0.03   0.00  -0.00     0.00   0.00  -0.00     0.12  -0.10   0.09
    79   6    -0.01  -0.01   0.01    -0.00  -0.00   0.00    -0.06   0.19  -0.17
    80   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    81  15    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    82   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    83   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    84   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    85   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    86   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    87   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    88   1     0.03  -0.02  -0.01     0.08  -0.31   0.01     0.00  -0.01  -0.00
    89   1    -0.02   0.02  -0.00     0.01   0.24  -0.02    -0.00   0.00  -0.00
    90   1    -0.02   0.02  -0.01     0.31  -0.00  -0.02     0.00   0.00  -0.00
    91   1    -0.01   0.03  -0.01     0.10   0.12   0.06     0.01   0.02   0.00
    92   1     0.06   0.02   0.02     0.06  -0.03   0.01     0.01  -0.00   0.00
    93   1     0.04   0.02   0.02    -0.04  -0.06  -0.03    -0.00  -0.01  -0.00
    94   1     0.00   0.01  -0.00    -0.18   0.11  -0.01     0.00   0.00  -0.00
    95   1     0.01   0.01  -0.00     0.17   0.24  -0.15     0.00   0.00   0.00
    96   1    -0.00  -0.01   0.00     0.17  -0.06  -0.00     0.01  -0.00   0.00
    97   1     0.08   0.04   0.03    -0.02  -0.01  -0.01     0.00  -0.00  -0.00
    98   1     0.07   0.04   0.04    -0.00  -0.01  -0.01     0.01   0.00   0.00
    99   1    -0.08  -0.02  -0.02     0.02   0.01   0.01    -0.00   0.00   0.00
   100   1    -0.10  -0.03  -0.03    -0.01   0.01   0.01    -0.01  -0.00   0.00
   101   1    -0.05   0.05   0.00    -0.03   0.08   0.04    -0.00   0.00   0.00
   102   1    -0.04   0.04   0.01     0.05   0.00   0.02     0.00   0.00   0.00
   103   1     0.05  -0.03   0.01     0.02  -0.06  -0.02     0.00  -0.00  -0.00
   104   1     0.05  -0.04   0.00    -0.07   0.01  -0.04    -0.00  -0.00  -0.00
   105   1     0.02   0.00  -0.01    -0.04   0.02   0.03     0.04   0.01  -0.02
   106   1     0.01   0.00  -0.01     0.02   0.03  -0.00     0.02  -0.01  -0.02
   107   1    -0.01  -0.01   0.00     0.01  -0.01  -0.01    -0.02  -0.02  -0.00
   108   1    -0.02  -0.01   0.01    -0.04  -0.04   0.00    -0.04  -0.02   0.01
   109   1    -0.05  -0.11  -0.00    -0.00   0.01  -0.00    -0.02   0.03  -0.01
   110   1    -0.03  -0.21   0.03    -0.00   0.00  -0.00    -0.02  -0.01  -0.01
   111   1     0.24   0.01   0.11    -0.01  -0.00  -0.00    -0.01  -0.01  -0.00
   112   1     0.07   0.08   0.02     0.00  -0.01   0.00     0.02  -0.02   0.01
   113   1    -0.10   0.01  -0.04     0.00  -0.01   0.00    -0.00  -0.03   0.01
   114   1    -0.19  -0.17  -0.06     0.01   0.00   0.00     0.01  -0.00   0.01
   115   1     0.13  -0.14   0.09     0.00   0.00  -0.00     0.02   0.00   0.01
   116   1     0.10  -0.06   0.05    -0.00   0.00  -0.00     0.00   0.03  -0.01
   117   1    -0.08  -0.01   0.02     0.01   0.01  -0.01     0.00   0.00  -0.00
   118   1    -0.12  -0.05   0.05    -0.01   0.00   0.00    -0.00   0.00   0.00
   119   1     0.09  -0.14   0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
   120   1     0.07  -0.02  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   121   1    -0.03   0.06  -0.01     0.01   0.01  -0.00    -0.00  -0.00   0.00
   122   1    -0.16   0.06   0.02    -0.01   0.01  -0.00     0.00  -0.00   0.00
   123   1    -0.03  -0.12   0.05    -0.01   0.01   0.00     0.00  -0.00   0.00
   124   1     0.00  -0.08   0.02    -0.02  -0.01   0.01     0.00   0.00  -0.00
   125   1     0.00   0.01  -0.01    -0.01   0.01  -0.01     0.23  -0.17   0.14
   126   1    -0.00   0.02  -0.02    -0.01  -0.00   0.00     0.14   0.09  -0.09
   127   1    -0.04  -0.00   0.01    -0.01  -0.00   0.00     0.09   0.09  -0.09
   128   1    -0.01  -0.01   0.01     0.01  -0.01   0.01    -0.21   0.15  -0.12
   129   1     0.02  -0.00  -0.00     0.00  -0.00   0.00    -0.03   0.20  -0.19
   130   1     0.03   0.02  -0.02     0.00   0.00  -0.00    -0.15   0.00   0.00
   131   1    -0.03   0.02  -0.01    -0.00   0.00  -0.00    -0.19  -0.02   0.03
   132   1    -0.02   0.01  -0.00    -0.00  -0.00   0.00     0.04  -0.24   0.21
   133   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   134   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
   135   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   136   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   137   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
   138   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
   139   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
   140   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
   141   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
   142   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
   143  17    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
                    358                    359                    360
                      A                      A                      A
 Frequencies --   1651.4199              1651.4590              1652.7797
 Red. masses --      6.5911                 6.5884                 5.8926
 Frc consts  --     10.5907                10.5868                 9.4840
 IR Inten    --     21.3461                30.3611                86.7164
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.00     0.00   0.01  -0.00    -0.02   0.07  -0.00
     2   6    -0.01   0.01  -0.00     0.00  -0.01   0.00     0.02  -0.10   0.01
     3   6     0.00  -0.01   0.00     0.01   0.01   0.00     0.00   0.08  -0.00
     4   6    -0.00   0.01  -0.00    -0.01  -0.01   0.00    -0.02  -0.06   0.01
     5   6     0.00  -0.01   0.00    -0.00   0.01  -0.00    -0.03   0.08  -0.01
     6   6    -0.01   0.00  -0.00     0.00  -0.01   0.00     0.05  -0.04   0.00
     7   6     0.02   0.02   0.01    -0.03  -0.02  -0.01    -0.13  -0.11  -0.05
     8   6    -0.01  -0.01  -0.00     0.01   0.01   0.01     0.06   0.10   0.04
     9   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.01
    10   6    -0.02  -0.01   0.01     0.02   0.01  -0.01     0.10   0.04  -0.04
    11   6    -0.02  -0.03  -0.01     0.03   0.03   0.01     0.15   0.19   0.07
    12   6     0.02   0.01   0.01    -0.03  -0.01  -0.01    -0.13  -0.12  -0.06
    13   6    -0.02  -0.01  -0.01     0.04   0.00   0.01     0.18   0.05   0.07
    14   6     0.02   0.02   0.01    -0.03  -0.02  -0.01    -0.15  -0.15  -0.08
    15   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01  -0.01
    16   6     0.01   0.01  -0.01    -0.01  -0.01   0.01    -0.04  -0.04   0.03
    17   6    -0.02  -0.01   0.01     0.02   0.01  -0.01     0.09   0.04  -0.04
    18   7     0.02   0.00  -0.01    -0.01  -0.00   0.00    -0.09  -0.02   0.03
    19   6    -0.02  -0.00   0.01     0.02   0.00  -0.01     0.10   0.03  -0.03
    20   6     0.02   0.01  -0.01    -0.02  -0.01   0.01    -0.09  -0.07   0.05
    21   6    -0.01  -0.01   0.01     0.01   0.01  -0.01     0.08   0.04  -0.03
    22   6     0.02   0.00  -0.00    -0.02  -0.00   0.00    -0.10  -0.01   0.02
    23   6    -0.02  -0.02  -0.02    -0.01  -0.01  -0.01     0.01  -0.03  -0.01
    24   6    -0.01  -0.00  -0.00     0.03  -0.02  -0.01     0.07   0.06   0.05
    25   6     0.01   0.00  -0.00    -0.01  -0.01   0.00    -0.04  -0.02   0.01
    26   6     0.01   0.00   0.00    -0.01   0.01   0.01    -0.07  -0.06  -0.06
    27   6    -0.01   0.00   0.00     0.03  -0.02  -0.01     0.07   0.03   0.02
    28   6     0.01  -0.01  -0.00    -0.03   0.04   0.02    -0.03  -0.04  -0.03
    29   6    -0.01  -0.00  -0.00     0.02  -0.01  -0.01     0.06   0.06   0.05
    30   6     0.02   0.00   0.00    -0.04   0.01   0.01    -0.08  -0.03  -0.02
    31   6     0.00   0.02   0.01    -0.00   0.01   0.00    -0.01   0.03   0.01
    32   6    -0.02  -0.01  -0.01    -0.00  -0.01  -0.00     0.01  -0.01  -0.00
    33   6     0.04   0.04   0.02     0.01   0.01   0.01    -0.00   0.02   0.01
    34   6    -0.01  -0.02  -0.01    -0.00  -0.01  -0.01     0.01  -0.03  -0.01
    35   6     0.03   0.00   0.01     0.01   0.00   0.00    -0.02   0.02   0.00
    36   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.03   0.00  -0.01
    37   6     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.03  -0.02   0.01
    38   6    -0.00  -0.00   0.00     0.00   0.01  -0.00     0.02   0.01  -0.01
    39   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.00   0.01
    40   6    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.03   0.02  -0.01
    41   7    -0.04  -0.04   0.02    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    42   7    -0.00   0.01  -0.00     0.02  -0.05   0.01    -0.00   0.01  -0.00
    43   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    44   6     0.02  -0.04   0.02    -0.08   0.16  -0.07     0.03  -0.04   0.02
    45   6     0.01   0.04  -0.00    -0.03  -0.16   0.01     0.00   0.05  -0.01
    46   6    -0.03   0.03  -0.02     0.11  -0.10   0.07    -0.00  -0.00  -0.00
    47   6     0.01  -0.05   0.01    -0.02   0.19  -0.05     0.00  -0.02   0.00
    48   6     0.09   0.16  -0.08     0.02   0.04  -0.02     0.01   0.01  -0.01
    49   6    -0.15  -0.05   0.05    -0.04  -0.01   0.01    -0.01  -0.00   0.00
    50   6    -0.02  -0.15   0.06    -0.01  -0.04   0.02    -0.01  -0.02   0.01
    51   6     0.14   0.11  -0.08     0.04   0.03  -0.02     0.02   0.01  -0.01
    52   6     0.00  -0.00   0.00    -0.01   0.01  -0.01    -0.01   0.00  -0.00
    53   6    -0.00   0.00  -0.00    -0.00  -0.01   0.01     0.00  -0.01   0.01
    54   6    -0.00   0.00  -0.00     0.02  -0.01   0.01    -0.00   0.00  -0.00
    55   6     0.00  -0.00   0.00    -0.01   0.02  -0.01    -0.00  -0.00   0.00
    56   6     0.03  -0.05   0.02    -0.12   0.21  -0.09     0.01  -0.01   0.01
    57   6    -0.00   0.04  -0.01     0.01  -0.17   0.04     0.00   0.02  -0.00
    58   6     0.02  -0.02   0.01    -0.08   0.07  -0.05     0.00  -0.01   0.00
    59   6    -0.03   0.05  -0.02     0.10  -0.18   0.08    -0.01   0.01  -0.01
    60   6    -0.00   0.05  -0.01     0.01  -0.21   0.05    -0.00   0.06  -0.01
    61   6    -0.01  -0.03   0.00     0.03   0.12  -0.01    -0.01  -0.03   0.00
    62   6    -0.02   0.03  -0.01     0.08  -0.13   0.06    -0.02   0.04  -0.02
    63   6     0.00  -0.06   0.01    -0.01   0.24  -0.05     0.00  -0.07   0.01
    64   6     0.11   0.21  -0.10     0.03   0.06  -0.03     0.01   0.02  -0.01
    65   6    -0.13  -0.09   0.06    -0.04  -0.02   0.02    -0.01  -0.01   0.01
    66   6     0.01   0.12  -0.04     0.00   0.03  -0.01     0.00   0.01  -0.00
    67   6    -0.09  -0.19   0.09    -0.03  -0.05   0.02    -0.01  -0.02   0.01
    68   6    -0.17  -0.12   0.09    -0.05  -0.03   0.02    -0.01  -0.01   0.01
    69   6     0.11   0.03  -0.04     0.03   0.01  -0.01     0.01   0.00  -0.00
    70   6    -0.07  -0.14   0.07    -0.02  -0.04   0.02    -0.00  -0.01   0.00
    71   6     0.20   0.14  -0.10     0.05   0.04  -0.03     0.01   0.01  -0.01
    72   6     0.00  -0.00   0.00    -0.02   0.02  -0.01     0.00  -0.00   0.00
    73   6    -0.00   0.00  -0.00     0.00  -0.01   0.01    -0.00   0.00  -0.00
    74   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    75   6    -0.00   0.00  -0.00     0.02  -0.01   0.01    -0.00   0.00  -0.00
    76   6    -0.00   0.00  -0.00     0.01  -0.02   0.02     0.00  -0.01   0.01
    77   6    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.00   0.00  -0.00
    78   6    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.00  -0.00   0.00
    79   6     0.00  -0.01   0.00    -0.01   0.02  -0.02    -0.00   0.01  -0.01
    80   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    81  15     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    82   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    83   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    84   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    85   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    86   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    87   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    88   1     0.01  -0.03   0.00    -0.01   0.02   0.00    -0.07   0.18   0.01
    89   1    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.02  -0.08   0.02
    90   1     0.01  -0.00   0.00    -0.01  -0.00   0.00    -0.08  -0.02   0.01
    91   1     0.03   0.05   0.01    -0.04  -0.06  -0.01    -0.23  -0.33  -0.10
    92   1     0.03  -0.01   0.01    -0.05   0.01  -0.01    -0.24   0.11  -0.06
    93   1    -0.02  -0.03  -0.01     0.02   0.04   0.01     0.13   0.24   0.10
    94   1     0.02  -0.01  -0.00    -0.02   0.01   0.00    -0.12   0.06   0.00
    95   1    -0.02  -0.02   0.02     0.02   0.02  -0.01     0.09   0.14  -0.08
    96   1    -0.02   0.01   0.00     0.02  -0.01  -0.00     0.13  -0.03  -0.01
    97   1    -0.00  -0.01  -0.01    -0.02  -0.00  -0.00     0.07   0.10   0.10
    98   1     0.01   0.00   0.00    -0.03  -0.01  -0.02    -0.09   0.03   0.03
    99   1    -0.00   0.01   0.01     0.02  -0.01  -0.02    -0.05  -0.09  -0.08
   100   1    -0.03  -0.00   0.00     0.06   0.01   0.00     0.12  -0.02  -0.04
   101   1     0.03  -0.03  -0.00     0.01  -0.01  -0.00     0.02  -0.04  -0.01
   102   1     0.01  -0.02  -0.01     0.00  -0.01  -0.00    -0.02  -0.01  -0.01
   103   1    -0.02   0.00  -0.02    -0.01   0.01  -0.00    -0.02   0.04   0.01
   104   1    -0.04   0.02  -0.01    -0.01   0.01   0.00     0.03   0.00   0.02
   105   1     0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.04   0.02   0.03
   106   1    -0.00  -0.01   0.00     0.01   0.00  -0.00     0.02   0.04  -0.00
   107   1    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.03  -0.02  -0.02
   108   1     0.01   0.01  -0.00    -0.01  -0.01   0.00    -0.03  -0.04   0.00
   109   1    -0.04   0.06  -0.03     0.16  -0.23   0.12    -0.01   0.01  -0.00
   110   1    -0.04  -0.03  -0.01     0.14   0.11   0.05    -0.01  -0.01  -0.00
   111   1    -0.03  -0.03  -0.01     0.10   0.11   0.02    -0.00  -0.01   0.00
   112   1     0.04  -0.05   0.03    -0.15   0.20  -0.11     0.01  -0.01   0.01
   113   1    -0.00  -0.06   0.01     0.02   0.26  -0.05    -0.01  -0.07   0.01
   114   1     0.03  -0.00   0.02    -0.13   0.01  -0.06     0.03  -0.00   0.02
   115   1     0.04   0.01   0.02    -0.17  -0.02  -0.07     0.04   0.01   0.02
   116   1     0.00   0.07  -0.01    -0.01  -0.29   0.05     0.00   0.09  -0.02
   117   1    -0.10  -0.27   0.11    -0.03  -0.07   0.03    -0.01  -0.03   0.01
   118   1     0.16  -0.08  -0.01     0.04  -0.02  -0.00     0.02  -0.01  -0.00
   119   1     0.14  -0.04  -0.03     0.04  -0.01  -0.01     0.01  -0.00  -0.00
   120   1     0.08   0.24  -0.10     0.02   0.06  -0.03     0.01   0.02  -0.01
   121   1     0.22   0.11  -0.10     0.06   0.03  -0.03     0.01   0.01  -0.01
   122   1    -0.06   0.13  -0.03    -0.02   0.04  -0.01    -0.00   0.01  -0.00
   123   1    -0.11   0.15  -0.02    -0.03   0.04  -0.01    -0.01   0.01  -0.00
   124   1    -0.25  -0.14   0.11    -0.07  -0.04   0.03    -0.02  -0.01   0.01
   125   1    -0.00   0.00  -0.00     0.02  -0.02   0.01    -0.00   0.00  -0.00
   126   1    -0.00  -0.00   0.00     0.02   0.01  -0.01    -0.00  -0.00   0.00
   127   1    -0.00  -0.00   0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
   128   1     0.00  -0.00   0.00    -0.02   0.02  -0.01     0.00  -0.00   0.00
   129   1     0.00  -0.01   0.01    -0.00   0.02  -0.02    -0.00   0.01  -0.01
   130   1     0.00  -0.00  -0.00    -0.02   0.00   0.00    -0.01   0.00   0.00
   131   1     0.01   0.00  -0.00    -0.02  -0.00   0.00    -0.01  -0.00   0.00
   132   1    -0.00   0.01  -0.01     0.01  -0.03   0.02     0.00  -0.01   0.01
   133   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
   134   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
   135   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   136   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   137   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   138   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
   139   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
   140   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   141   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   142   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   143  17     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    361                    362                    363
                      A                      A                      A
 Frequencies --   1658.1124              1661.5852              1662.0577
 Red. masses --      6.0134                 5.9707                 5.9911
 Frc consts  --      9.7409                 9.7123                 9.7510
 IR Inten    --     82.5395                85.1544                10.2004
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.08   0.00    -0.01   0.02  -0.00    -0.00   0.03  -0.00
     2   6    -0.05   0.10  -0.01     0.02  -0.05   0.00     0.01  -0.05   0.00
     3   6     0.07  -0.06   0.01    -0.03   0.03  -0.00    -0.00   0.04  -0.00
     4   6    -0.03   0.07  -0.01     0.03  -0.02   0.00    -0.01  -0.03   0.00
     5   6     0.05  -0.10   0.01    -0.03   0.04  -0.00    -0.02   0.04  -0.00
     6   6    -0.08   0.05  -0.00     0.05  -0.02   0.00     0.02  -0.02   0.00
     7   6    -0.07  -0.01  -0.02    -0.01  -0.02  -0.01    -0.06  -0.05  -0.02
     8   6     0.03   0.03   0.02     0.01   0.02   0.00     0.03   0.04   0.02
     9   6    -0.00   0.00   0.00     0.01   0.00  -0.00    -0.01  -0.01   0.00
    10   6    -0.03  -0.03   0.02    -0.05  -0.01   0.01     0.05   0.02  -0.02
    11   6     0.06   0.06   0.02     0.02   0.03   0.01     0.07   0.08   0.03
    12   6    -0.05  -0.04  -0.02    -0.01  -0.02  -0.00    -0.03  -0.04  -0.02
    13   6     0.07   0.02   0.03     0.02   0.01   0.01     0.08   0.02   0.03
    14   6    -0.05  -0.05  -0.03    -0.02  -0.02  -0.01    -0.07  -0.06  -0.03
    15   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    16   6     0.05   0.01  -0.01     0.00   0.02  -0.01    -0.01  -0.02   0.01
    17   6    -0.09  -0.02   0.03    -0.01  -0.01   0.01     0.03   0.02  -0.01
    18   7     0.05   0.01  -0.01     0.04   0.01  -0.01    -0.05  -0.01   0.01
    19   6    -0.10  -0.01   0.03    -0.01  -0.01   0.01     0.03   0.01  -0.01
    20   6     0.08   0.05  -0.04     0.01   0.02  -0.01    -0.03  -0.03   0.02
    21   6    -0.09  -0.01   0.03     0.02  -0.01  -0.00     0.00   0.01  -0.00
    22   6     0.12  -0.01  -0.02     0.00   0.01  -0.00    -0.03  -0.00   0.01
    23   6    -0.10   0.09   0.00    -0.08   0.07  -0.00    -0.03   0.02  -0.00
    24   6     0.08   0.04   0.03    -0.05  -0.02  -0.02    -0.11  -0.04  -0.04
    25   6     0.07   0.02  -0.03    -0.12  -0.04   0.05     0.09   0.03  -0.04
    26   6    -0.09  -0.07  -0.06     0.07   0.05   0.04     0.14   0.10   0.09
    27   6     0.11   0.02   0.02    -0.09  -0.02  -0.02    -0.19  -0.03  -0.03
    28   6    -0.06  -0.03  -0.03     0.05   0.02   0.02     0.11   0.04   0.04
    29   6     0.09   0.06   0.06    -0.06  -0.04  -0.04    -0.14  -0.10  -0.09
    30   6    -0.12  -0.02  -0.02     0.09   0.02   0.01     0.19   0.03   0.03
    31   6     0.11  -0.14  -0.02     0.10  -0.13  -0.02     0.04  -0.05  -0.01
    32   6    -0.15   0.08  -0.02    -0.15   0.08  -0.03    -0.06   0.03  -0.01
    33   6     0.08  -0.07  -0.00     0.08  -0.07   0.00     0.03  -0.02   0.00
    34   6    -0.10   0.14   0.02    -0.10   0.13   0.02    -0.04   0.05   0.01
    35   6     0.15  -0.09   0.03     0.15  -0.08   0.03     0.06  -0.03   0.01
    36   6    -0.08  -0.00   0.04     0.18   0.01  -0.08    -0.15  -0.01   0.06
    37   6     0.06   0.04  -0.02    -0.15  -0.10   0.05     0.13   0.08  -0.04
    38   6    -0.05  -0.01   0.02     0.11   0.04  -0.04    -0.09  -0.03   0.03
    39   6     0.08   0.00  -0.03    -0.18  -0.01   0.08     0.14   0.01  -0.06
    40   6    -0.07  -0.04   0.02     0.16   0.10  -0.05    -0.13  -0.08   0.04
    41   7    -0.01   0.01  -0.00    -0.01   0.01  -0.00    -0.00   0.00   0.00
    42   7     0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.01  -0.00  -0.01
    43   7     0.00   0.00  -0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    44   6     0.01  -0.03   0.01    -0.01   0.02  -0.01    -0.02   0.05  -0.02
    45   6    -0.00   0.04  -0.01     0.00  -0.03   0.01     0.00  -0.07   0.01
    46   6     0.02  -0.03   0.01    -0.02   0.03  -0.01    -0.03   0.05  -0.02
    47   6    -0.00   0.03  -0.01     0.00  -0.02   0.01     0.01  -0.05   0.02
    48   6     0.02   0.03  -0.02     0.02   0.03  -0.02     0.01   0.02  -0.01
    49   6    -0.04  -0.03   0.02    -0.04  -0.03   0.02    -0.02  -0.01   0.01
    50   6     0.02   0.05  -0.02     0.02   0.05  -0.02     0.01   0.02  -0.01
    51   6    -0.03  -0.02   0.02    -0.03  -0.03   0.02    -0.01  -0.01   0.01
    52   6     0.01  -0.01   0.01    -0.03   0.03  -0.03     0.02  -0.03   0.02
    53   6    -0.01   0.02  -0.01     0.01  -0.05   0.04    -0.01   0.04  -0.04
    54   6     0.02  -0.01   0.01    -0.04   0.04  -0.03     0.04  -0.03   0.03
    55   6    -0.01   0.01  -0.01     0.02  -0.04   0.03    -0.02   0.03  -0.03
    56   6    -0.02   0.03  -0.01     0.01  -0.03   0.01     0.03  -0.05   0.02
    57   6     0.00  -0.02   0.01    -0.00   0.02  -0.00    -0.01   0.03  -0.01
    58   6    -0.02   0.01  -0.01     0.01  -0.01   0.01     0.03  -0.02   0.02
    59   6     0.02  -0.03   0.01    -0.01   0.02  -0.01    -0.03   0.05  -0.02
    60   6    -0.00   0.03  -0.01     0.00  -0.03   0.01     0.00  -0.06   0.01
    61   6    -0.01  -0.02   0.00     0.01   0.02   0.00     0.01   0.03   0.00
    62   6    -0.01   0.02  -0.01     0.01  -0.01   0.01     0.01  -0.03   0.01
    63   6     0.00  -0.04   0.01    -0.00   0.03  -0.01    -0.00   0.07  -0.01
    64   6    -0.02  -0.05   0.02    -0.02  -0.05   0.02    -0.01  -0.02   0.01
    65   6     0.02   0.02  -0.01     0.02   0.02  -0.01     0.01   0.01  -0.00
    66   6     0.00  -0.03   0.01     0.00  -0.03   0.01     0.00  -0.01   0.00
    67   6     0.02   0.04  -0.02     0.02   0.04  -0.02     0.01   0.02  -0.01
    68   6    -0.04  -0.02   0.02    -0.04  -0.03   0.02    -0.02  -0.01   0.01
    69   6     0.03   0.00  -0.01     0.03   0.00  -0.01     0.01   0.00  -0.00
    70   6    -0.01  -0.02   0.01    -0.02  -0.02   0.01    -0.01  -0.01   0.01
    71   6     0.04   0.03  -0.02     0.04   0.03  -0.02     0.02   0.01  -0.01
    72   6    -0.02   0.01  -0.01     0.04  -0.04   0.03    -0.04   0.03  -0.03
    73   6     0.00  -0.01   0.01    -0.01   0.02  -0.02     0.01  -0.02   0.02
    74   6    -0.01   0.00  -0.00     0.03  -0.01   0.01    -0.03   0.01  -0.01
    75   6     0.01  -0.01   0.01    -0.04   0.03  -0.03     0.03  -0.03   0.02
    76   6    -0.00   0.01  -0.01     0.01  -0.04   0.04    -0.01   0.04  -0.03
    77   6    -0.00  -0.01   0.01     0.01   0.03  -0.02    -0.01  -0.02   0.02
    78   6    -0.01   0.01  -0.01     0.02  -0.02   0.02    -0.02   0.02  -0.02
    79   6     0.00  -0.02   0.01    -0.01   0.05  -0.04     0.01  -0.04   0.04
    80   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    81  15    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    82   8    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    83   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    84   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    85   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    86   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    87   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    88   1     0.04  -0.15   0.02    -0.02   0.08   0.00    -0.03   0.08   0.01
    89   1    -0.03   0.13  -0.02    -0.00  -0.06   0.01     0.01  -0.04   0.01
    90   1     0.12   0.02  -0.01    -0.07  -0.00  -0.00    -0.04  -0.01   0.00
    91   1    -0.05  -0.10  -0.01    -0.04  -0.05  -0.02    -0.09  -0.13  -0.05
    92   1    -0.08   0.04  -0.02    -0.03   0.01  -0.00    -0.10   0.04  -0.02
    93   1     0.05   0.09   0.04     0.02   0.03   0.01     0.05   0.10   0.04
    94   1     0.12  -0.04  -0.01     0.01  -0.01   0.00    -0.04   0.02  -0.00
    95   1    -0.06  -0.12   0.07    -0.01  -0.01   0.00     0.03   0.04  -0.02
    96   1    -0.16   0.02   0.02     0.01   0.01   0.00     0.03  -0.01  -0.00
    97   1     0.06   0.11   0.11    -0.03  -0.08  -0.07    -0.07  -0.17  -0.15
    98   1    -0.14   0.03   0.02     0.11  -0.02  -0.02     0.24  -0.05  -0.03
    99   1    -0.05  -0.11  -0.09     0.03   0.08   0.07     0.07   0.17   0.15
   100   1     0.16  -0.03  -0.03    -0.11   0.02   0.01    -0.24   0.04   0.03
   101   1    -0.05   0.21   0.08    -0.04   0.19   0.07    -0.01   0.07   0.03
   102   1     0.20  -0.00   0.08     0.19  -0.01   0.08     0.08  -0.00   0.03
   103   1     0.04  -0.20  -0.08     0.04  -0.19  -0.07     0.01  -0.07  -0.03
   104   1    -0.21   0.01  -0.09    -0.19   0.01  -0.08    -0.08   0.01  -0.03
   105   1     0.10  -0.04  -0.06    -0.20   0.10   0.11     0.16  -0.08  -0.09
   106   1    -0.05  -0.09   0.00     0.12   0.20  -0.01    -0.10  -0.17   0.01
   107   1    -0.09   0.04   0.05     0.19  -0.10  -0.10    -0.16   0.08   0.08
   108   1     0.06   0.10   0.00    -0.13  -0.21   0.01     0.10   0.17  -0.01
   109   1     0.03  -0.04   0.02    -0.02   0.03  -0.02    -0.05   0.07  -0.04
   110   1     0.02   0.01   0.01    -0.02  -0.01  -0.01    -0.04  -0.02  -0.01
   111   1     0.02   0.01   0.00    -0.01  -0.01  -0.00    -0.03  -0.03  -0.01
   112   1    -0.02   0.03  -0.02     0.02  -0.03   0.01     0.04  -0.06   0.03
   113   1    -0.00  -0.04   0.01     0.00   0.04  -0.01     0.00   0.08  -0.02
   114   1     0.02   0.00   0.01    -0.02  -0.00  -0.01    -0.04  -0.00  -0.02
   115   1     0.02   0.00   0.01    -0.02  -0.00  -0.01    -0.04  -0.01  -0.02
   116   1     0.00   0.06  -0.01     0.00  -0.04   0.01    -0.00  -0.09   0.02
   117   1     0.03   0.07  -0.03     0.03   0.07  -0.03     0.01   0.03  -0.01
   118   1    -0.03   0.02   0.00    -0.03   0.02   0.00    -0.01   0.01   0.00
   119   1    -0.03   0.01   0.00    -0.03   0.01   0.00    -0.01   0.01   0.00
   120   1    -0.02  -0.05   0.02    -0.02  -0.06   0.03    -0.01  -0.02   0.01
   121   1     0.04   0.03  -0.02     0.05   0.03  -0.03     0.02   0.01  -0.01
   122   1    -0.02   0.03  -0.01    -0.02   0.03  -0.01    -0.01   0.01  -0.00
   123   1    -0.02   0.02  -0.00    -0.02   0.03  -0.00    -0.01   0.01  -0.00
   124   1    -0.06  -0.04   0.03    -0.06  -0.04   0.03    -0.03  -0.02   0.01
   125   1     0.02  -0.02   0.02    -0.07   0.05  -0.04     0.05  -0.04   0.04
   126   1     0.01   0.01  -0.01    -0.03  -0.02   0.02     0.03   0.01  -0.01
   127   1     0.01   0.01  -0.01    -0.03  -0.02   0.02     0.02   0.02  -0.02
   128   1    -0.02   0.01  -0.01     0.05  -0.04   0.04    -0.05   0.03  -0.03
   129   1     0.00  -0.02   0.02    -0.01   0.06  -0.05     0.01  -0.05   0.04
   130   1     0.01   0.00  -0.00    -0.04  -0.00   0.00     0.03   0.00  -0.00
   131   1     0.01   0.00  -0.00    -0.04  -0.01   0.01     0.03   0.01  -0.01
   132   1    -0.01   0.02  -0.02     0.02  -0.07   0.06    -0.01   0.06  -0.05
   133   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   134   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
   135   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
   136   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   137   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
   138   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   139   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   140   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
   141   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   142   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
   143  17     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                    364                    365                    366
                      A                      A                      A
 Frequencies --   1665.7427              1674.3617              1674.4682
 Red. masses --      6.3842                 6.6863                 6.6843
 Frc consts  --     10.4369                11.0443                11.0423
 IR Inten    --      5.2010                13.1275                37.5359
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.09  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
     2   6     0.09  -0.17   0.01    -0.00   0.01   0.00    -0.00   0.01  -0.00
     3   6    -0.14   0.10  -0.01     0.01  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.07  -0.11   0.01    -0.01   0.00  -0.00     0.00   0.01  -0.00
     5   6    -0.10   0.17  -0.02     0.01  -0.01   0.00     0.00  -0.01   0.00
     6   6     0.14  -0.09   0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
     7   6     0.13   0.03   0.04    -0.01   0.00  -0.00    -0.01  -0.01  -0.00
     8   6    -0.06  -0.06  -0.03     0.00   0.00   0.00     0.00   0.01   0.00
     9   6     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   6     0.00   0.03  -0.01     0.02   0.00  -0.00    -0.03  -0.01   0.01
    11   6    -0.11  -0.10  -0.04     0.00   0.00   0.00     0.01   0.01   0.00
    12   6     0.07   0.05   0.03     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.13  -0.03  -0.04     0.01   0.00   0.00     0.01   0.00   0.00
    14   6     0.10   0.10   0.05    -0.01  -0.00  -0.00    -0.01  -0.01  -0.01
    15   7     0.00  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   6    -0.06   0.00   0.01     0.00  -0.00   0.00     0.00   0.01  -0.00
    17   6     0.11   0.02  -0.03    -0.00   0.00   0.00    -0.00  -0.00   0.00
    18   7    -0.03  -0.01   0.01    -0.01  -0.00   0.00     0.02   0.00  -0.01
    19   6     0.11   0.01  -0.03    -0.01   0.00   0.00    -0.00  -0.00   0.00
    20   6    -0.09  -0.05   0.04     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   6     0.09  -0.00  -0.02    -0.01   0.00   0.00     0.01  -0.00  -0.00
    22   6    -0.14   0.01   0.03     0.01  -0.00  -0.00    -0.00   0.00  -0.00
    23   6    -0.05   0.03  -0.01     0.05  -0.04   0.00    -0.02   0.01  -0.00
    24   6     0.04   0.01   0.01    -0.03  -0.01  -0.01    -0.05  -0.02  -0.02
    25   6     0.02   0.02  -0.01     0.02   0.00  -0.01    -0.04  -0.01   0.02
    26   6    -0.06  -0.04  -0.04     0.05   0.03   0.03     0.06   0.04   0.04
    27   6     0.09   0.01   0.01    -0.07  -0.01  -0.01    -0.09  -0.02  -0.02
    28   6    -0.05  -0.02  -0.02     0.05   0.02   0.02     0.06   0.03   0.02
    29   6     0.06   0.04   0.04    -0.05  -0.04  -0.03    -0.07  -0.05  -0.04
    30   6    -0.09  -0.01  -0.01     0.06   0.01   0.01     0.08   0.02   0.02
    31   6     0.07  -0.09  -0.01    -0.06   0.07   0.01     0.02  -0.02  -0.00
    32   6    -0.11   0.05  -0.02     0.09  -0.05   0.02    -0.03   0.01  -0.01
    33   6     0.06  -0.05   0.00    -0.06   0.05  -0.00     0.02  -0.02   0.00
    34   6    -0.07   0.09   0.01     0.06  -0.08  -0.01    -0.02   0.03   0.00
    35   6     0.10  -0.05   0.02    -0.08   0.05  -0.01     0.03  -0.01   0.00
    36   6    -0.06  -0.01   0.03    -0.03  -0.00   0.01     0.07   0.01  -0.03
    37   6     0.06   0.04  -0.02     0.02   0.02  -0.01    -0.07  -0.05   0.02
    38   6    -0.04  -0.02   0.01    -0.02  -0.01   0.01     0.06   0.02  -0.02
    39   6     0.06   0.01  -0.03     0.03   0.00  -0.01    -0.08  -0.00   0.03
    40   6    -0.05  -0.04   0.02    -0.02  -0.01   0.01     0.06   0.04  -0.02
    41   7    -0.01   0.01   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
    42   7     0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
    43   7     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    44   6     0.01  -0.03   0.01     0.02  -0.10   0.03     0.03  -0.14   0.04
    45   6    -0.00   0.03  -0.01     0.01   0.12  -0.02     0.01   0.16  -0.03
    46   6     0.02  -0.03   0.01     0.07  -0.09   0.05     0.09  -0.12   0.06
    47   6    -0.01   0.03  -0.01    -0.04   0.10  -0.03    -0.05   0.13  -0.05
    48   6     0.02   0.03  -0.02     0.11   0.11  -0.06    -0.04  -0.04   0.02
    49   6    -0.04  -0.02   0.02    -0.16  -0.08   0.07     0.05   0.03  -0.02
    50   6     0.02   0.04  -0.02     0.05   0.16  -0.07    -0.02  -0.05   0.02
    51   6    -0.02  -0.03   0.02    -0.09  -0.12   0.06     0.03   0.04  -0.02
    52   6     0.01  -0.02   0.02    -0.02   0.04  -0.03     0.05  -0.09   0.08
    53   6    -0.01   0.03  -0.02     0.01  -0.04   0.04    -0.02   0.11  -0.10
    54   6     0.02  -0.02   0.02    -0.04   0.03  -0.02     0.11  -0.08   0.06
    55   6    -0.01   0.02  -0.02     0.03  -0.03   0.03    -0.07   0.09  -0.07
    56   6    -0.02   0.03  -0.01    -0.06   0.09  -0.04    -0.08   0.12  -0.06
    57   6     0.00  -0.02   0.00     0.01  -0.05   0.02     0.02  -0.07   0.02
    58   6    -0.02   0.01  -0.01    -0.05   0.03  -0.03    -0.07   0.04  -0.04
    59   6     0.02  -0.03   0.01     0.06  -0.09   0.04     0.08  -0.12   0.06
    60   6    -0.00   0.03  -0.01    -0.00   0.11  -0.02    -0.00   0.15  -0.03
    61   6    -0.01  -0.02  -0.00    -0.03  -0.06  -0.00    -0.04  -0.08  -0.00
    62   6    -0.01   0.02  -0.01    -0.02   0.05  -0.02    -0.02   0.07  -0.02
    63   6     0.00  -0.03   0.01     0.00  -0.11   0.02     0.00  -0.15   0.03
    64   6    -0.02  -0.04   0.02    -0.07  -0.15   0.07     0.02   0.05  -0.02
    65   6     0.02   0.01  -0.01     0.06   0.06  -0.03    -0.02  -0.02   0.01
    66   6     0.00  -0.02   0.01     0.01  -0.10   0.03    -0.00   0.03  -0.01
    67   6     0.02   0.04  -0.02     0.06   0.15  -0.07    -0.02  -0.05   0.02
    68   6    -0.04  -0.02   0.02    -0.14  -0.09   0.07     0.05   0.03  -0.02
    69   6     0.02   0.00  -0.01     0.10   0.00  -0.03    -0.03  -0.00   0.01
    70   6    -0.01  -0.02   0.01    -0.05  -0.06   0.03     0.02   0.02  -0.01
    71   6     0.04   0.02  -0.02     0.14   0.09  -0.07    -0.05  -0.03   0.02
    72   6    -0.02   0.02  -0.02     0.04  -0.03   0.03    -0.10   0.08  -0.06
    73   6     0.01  -0.01   0.01    -0.01   0.02  -0.02     0.03  -0.05   0.04
    74   6    -0.02   0.01  -0.00     0.03  -0.01   0.01    -0.08   0.02  -0.01
    75   6     0.02  -0.02   0.01    -0.04   0.03  -0.03     0.10  -0.08   0.07
    76   6    -0.01   0.02  -0.02     0.01  -0.04   0.04    -0.03   0.10  -0.09
    77   6    -0.00  -0.01   0.01     0.01   0.02  -0.02    -0.03  -0.06   0.05
    78   6    -0.01   0.01  -0.01     0.01  -0.02   0.02    -0.03   0.05  -0.04
    79   6     0.01  -0.03   0.02    -0.01   0.04  -0.04     0.03  -0.10   0.09
    80   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    81  15     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    82   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    83   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    84   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    85   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    86   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    87   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    88   1    -0.05   0.24  -0.01    -0.00  -0.01  -0.00     0.00  -0.01   0.00
    89   1     0.03  -0.22   0.03     0.00   0.01  -0.00    -0.00   0.01  -0.00
    90   1    -0.20  -0.03   0.01     0.01   0.00   0.00     0.00   0.00  -0.00
    91   1     0.09   0.16   0.03     0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    92   1     0.15  -0.06   0.03    -0.01   0.00   0.00    -0.01   0.01   0.00
    93   1    -0.08  -0.16  -0.07     0.00   0.01   0.00     0.01   0.02   0.01
    94   1    -0.14   0.04   0.01     0.01  -0.00  -0.00     0.00  -0.00   0.00
    95   1     0.06   0.13  -0.07    -0.00  -0.01   0.00    -0.00  -0.00  -0.00
    96   1     0.18  -0.03  -0.02    -0.02   0.00   0.00     0.01   0.00   0.00
    97   1     0.03   0.07   0.06    -0.02  -0.05  -0.05    -0.03  -0.07  -0.07
    98   1    -0.11   0.02   0.01     0.09  -0.02  -0.01     0.12  -0.02  -0.01
    99   1    -0.03  -0.08  -0.07     0.03   0.06   0.05     0.04   0.09   0.07
   100   1     0.10  -0.02  -0.01    -0.07   0.01   0.01    -0.10   0.02   0.02
   101   1    -0.02   0.12   0.05     0.02  -0.10  -0.04    -0.01   0.03   0.01
   102   1     0.13  -0.01   0.05    -0.13   0.01  -0.05     0.04  -0.00   0.01
   103   1     0.02  -0.12  -0.05    -0.03   0.12   0.04     0.01  -0.04  -0.01
   104   1    -0.12   0.01  -0.04     0.10  -0.00   0.04    -0.03   0.00  -0.02
   105   1     0.06  -0.04  -0.03     0.03  -0.01  -0.02    -0.07   0.04   0.04
   106   1    -0.05  -0.08   0.01    -0.02  -0.03   0.00     0.05   0.09  -0.01
   107   1    -0.06   0.04   0.03    -0.03   0.02   0.02     0.09  -0.04  -0.04
   108   1     0.04   0.07  -0.01     0.02   0.03  -0.00    -0.05  -0.08   0.00
   109   1     0.03  -0.04   0.02     0.08  -0.13   0.06     0.11  -0.17   0.08
   110   1     0.02   0.01   0.01     0.06   0.03   0.02     0.08   0.04   0.03
   111   1     0.02   0.01   0.00     0.05   0.05   0.01     0.07   0.06   0.02
   112   1    -0.02   0.03  -0.02    -0.07   0.10  -0.05    -0.10   0.14  -0.07
   113   1    -0.00  -0.04   0.01    -0.00  -0.13   0.03    -0.00  -0.18   0.03
   114   1     0.02   0.00   0.01     0.06   0.00   0.03     0.09   0.00   0.04
   115   1     0.02   0.00   0.01     0.06   0.02   0.02     0.08   0.03   0.03
   116   1    -0.00   0.05  -0.01    -0.00   0.16  -0.03    -0.00   0.21  -0.04
   117   1     0.02   0.05  -0.02     0.09   0.21  -0.09    -0.03  -0.07   0.03
   118   1    -0.02   0.02   0.00    -0.08   0.06   0.00     0.03  -0.02  -0.00
   119   1    -0.03   0.01   0.00    -0.10   0.04   0.01     0.03  -0.01  -0.00
   120   1    -0.02  -0.05   0.02    -0.07  -0.18   0.08     0.02   0.06  -0.03
   121   1     0.05   0.03  -0.02     0.17   0.10  -0.08    -0.06  -0.03   0.03
   122   1    -0.01   0.02  -0.01    -0.06   0.09  -0.02     0.02  -0.03   0.01
   123   1    -0.02   0.02  -0.00    -0.07   0.07  -0.01     0.02  -0.02   0.00
   124   1    -0.05  -0.03   0.02    -0.20  -0.12   0.09     0.06   0.04  -0.03
   125   1     0.03  -0.03   0.02    -0.05   0.04  -0.04     0.13  -0.11   0.09
   126   1     0.02   0.01  -0.01    -0.03  -0.01   0.01     0.07   0.03  -0.03
   127   1     0.01   0.01  -0.01    -0.02  -0.02   0.02     0.06   0.04  -0.04
   128   1    -0.03   0.02  -0.02     0.05  -0.04   0.03    -0.12   0.09  -0.08
   129   1     0.01  -0.03   0.03    -0.01   0.05  -0.04     0.03  -0.12   0.11
   130   1     0.02   0.00  -0.00    -0.03  -0.00   0.00     0.09   0.01  -0.01
   131   1     0.02   0.00  -0.01    -0.03  -0.01   0.01     0.08   0.02  -0.02
   132   1    -0.01   0.04  -0.03     0.01  -0.06   0.05    -0.04   0.14  -0.13
   133   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
   134   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
   135   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   136   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
   137   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   138   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   139   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   140   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
   141   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
   142   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   143  17    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
                    367                    368                    369
                      A                      A                      A
 Frequencies --   1674.5943              1681.7117              3055.1179
 Red. masses --      6.6831                 8.9339                 1.0353
 Frc consts  --     11.0420                14.8865                 5.6935
 IR Inten    --      4.2615                11.0084                16.8236
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00    -0.02   0.08  -0.00    -0.00   0.00   0.00
     2   6    -0.01   0.02  -0.00     0.04  -0.11   0.01     0.00  -0.00   0.00
     3   6     0.01  -0.01   0.00    -0.04   0.08  -0.01    -0.00   0.00   0.00
     4   6    -0.00   0.01  -0.00    -0.07  -0.09   0.02    -0.00  -0.00   0.00
     5   6     0.01  -0.02   0.00    -0.02   0.11  -0.01     0.00   0.00   0.00
     6   6    -0.01   0.01  -0.00     0.04  -0.05   0.00     0.00  -0.00   0.00
     7   6    -0.00   0.00   0.00     0.03   0.02   0.01    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00  -0.05   0.00     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00    -0.07  -0.01  -0.00    -0.00  -0.00  -0.00
    10   6    -0.02  -0.01   0.01     0.47   0.11  -0.13    -0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00    -0.03  -0.04  -0.01     0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.01   0.03   0.01    -0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00    -0.02  -0.02  -0.01     0.00   0.00   0.00
    14   6     0.00   0.00   0.00     0.02   0.04   0.01     0.00  -0.00   0.00
    15   7    -0.00  -0.00   0.00     0.02   0.02  -0.02    -0.00  -0.00   0.00
    16   6     0.00   0.01  -0.00     0.11  -0.08   0.01     0.00   0.00  -0.00
    17   6    -0.01  -0.00   0.00    -0.13  -0.01   0.03    -0.00   0.00   0.00
    18   7     0.02   0.00  -0.01    -0.34  -0.06   0.09     0.00  -0.00   0.00
    19   6    -0.01  -0.00   0.00    -0.19   0.02   0.04    -0.00  -0.00   0.00
    20   6     0.01   0.01  -0.00     0.14   0.04  -0.05    -0.00   0.00  -0.00
    21   6     0.01  -0.00  -0.00    -0.19   0.07   0.02    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00     0.29  -0.06  -0.04     0.00  -0.00   0.00
    23   6     0.03  -0.02   0.00    -0.00  -0.01  -0.00    -0.00   0.00  -0.00
    24   6     0.03   0.01   0.01     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    25   6    -0.05  -0.02   0.02     0.02  -0.03  -0.01     0.00   0.00  -0.00
    26   6    -0.04  -0.03  -0.02    -0.01  -0.00  -0.00     0.00  -0.00  -0.00
    27   6     0.06   0.01   0.01     0.01   0.00   0.00     0.00   0.00   0.00
    28   6    -0.04  -0.02  -0.01    -0.01   0.00  -0.00    -0.00  -0.00  -0.00
    29   6     0.04   0.03   0.03     0.00   0.00   0.00     0.00   0.00  -0.00
    30   6    -0.05  -0.01  -0.01    -0.01   0.00   0.00     0.00   0.00   0.00
    31   6    -0.04   0.05   0.01     0.01  -0.00   0.00     0.00   0.00   0.00
    32   6     0.06  -0.03   0.01    -0.01   0.00  -0.00     0.00  -0.00  -0.00
    33   6    -0.04   0.03  -0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
    34   6     0.04  -0.05  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    35   6    -0.05   0.03  -0.01     0.01   0.00   0.00    -0.00  -0.00  -0.00
    36   6     0.08   0.01  -0.03     0.03   0.02  -0.01    -0.00  -0.00   0.00
    37   6    -0.07  -0.05   0.02    -0.04  -0.03   0.01    -0.00   0.00   0.00
    38   6     0.06   0.02  -0.02     0.02   0.02  -0.01     0.00   0.00  -0.00
    39   6    -0.09  -0.00   0.04    -0.03  -0.01   0.01    -0.00  -0.00  -0.00
    40   6     0.07   0.05  -0.02     0.02   0.03  -0.01    -0.00   0.00   0.00
    41   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    42   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    43   7    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    44   6    -0.02   0.09  -0.03    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    45   6    -0.01  -0.10   0.02     0.00   0.00  -0.00     0.00  -0.00   0.00
    46   6    -0.06   0.08  -0.04     0.00  -0.00   0.00     0.00   0.00   0.00
    47   6     0.03  -0.09   0.03    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    48   6     0.07   0.07  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    49   6    -0.10  -0.05   0.04     0.00   0.00  -0.00     0.00  -0.00   0.00
    50   6     0.03   0.10  -0.04    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    51   6    -0.06  -0.08   0.04     0.00   0.00  -0.00     0.00   0.00  -0.00
    52   6     0.06  -0.10   0.09     0.00  -0.01   0.01    -0.00   0.00  -0.00
    53   6    -0.02   0.12  -0.11     0.00   0.01  -0.01    -0.00  -0.00  -0.00
    54   6     0.12  -0.09   0.07     0.01  -0.01   0.01    -0.00  -0.00   0.00
    55   6    -0.08   0.10  -0.08    -0.01   0.01  -0.01     0.00  -0.00   0.00
    56   6     0.05  -0.08   0.04    -0.00   0.00  -0.00     0.00   0.00   0.00
    57   6    -0.01   0.05  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    58   6     0.05  -0.02   0.03    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    59   6    -0.05   0.08  -0.04     0.00  -0.00   0.00     0.00  -0.00   0.00
    60   6     0.00  -0.10   0.02     0.00   0.00  -0.00     0.00   0.00   0.00
    61   6     0.03   0.05   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    62   6     0.01  -0.04   0.02    -0.00   0.00  -0.00     0.00   0.00   0.00
    63   6    -0.00   0.10  -0.02     0.00  -0.00   0.00     0.00   0.00   0.00
    64   6    -0.04  -0.10   0.04     0.00   0.00  -0.00     0.00  -0.00  -0.00
    65   6     0.04   0.04  -0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    66   6     0.01  -0.06   0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    67   6     0.04   0.10  -0.04    -0.00  -0.00   0.00     0.00  -0.00   0.00
    68   6    -0.09  -0.05   0.04     0.00   0.00  -0.00     0.00  -0.00  -0.00
    69   6     0.06   0.00  -0.02    -0.00   0.00   0.00    -0.00   0.00  -0.00
    70   6    -0.03  -0.04   0.02     0.00   0.00  -0.00     0.00  -0.00  -0.00
    71   6     0.09   0.06  -0.04    -0.00  -0.00   0.00     0.00  -0.00   0.00
    72   6    -0.11   0.09  -0.07    -0.01   0.01  -0.01    -0.00  -0.00   0.00
    73   6     0.03  -0.05   0.05     0.00  -0.00   0.00    -0.00   0.00  -0.00
    74   6    -0.09   0.02  -0.02    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    75   6     0.11  -0.09   0.07     0.01  -0.01   0.01    -0.00   0.00  -0.00
    76   6    -0.03   0.12  -0.10    -0.00   0.01  -0.01    -0.00  -0.00   0.00
    77   6    -0.03  -0.06   0.06    -0.00  -0.00   0.00     0.00   0.00  -0.00
    78   6    -0.04   0.05  -0.04    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    79   6     0.03  -0.12   0.10     0.00  -0.01   0.01    -0.00  -0.00   0.00
    80   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    81  15     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    82   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    83   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    84   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    85   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.03  -0.01   0.03
    86   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    87   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    88   1     0.01  -0.03  -0.00    -0.05   0.16  -0.01    -0.00  -0.00   0.00
    89   1    -0.00   0.02  -0.00     0.06  -0.09   0.03     0.00   0.00  -0.00
    90   1     0.02   0.00   0.00    -0.04  -0.04   0.01     0.00   0.00  -0.00
    91   1     0.00   0.00   0.00     0.03   0.05   0.01    -0.00   0.00  -0.00
    92   1     0.00   0.00  -0.00     0.01  -0.02  -0.00    -0.00  -0.00  -0.00
    93   1     0.00  -0.00   0.00    -0.04  -0.05  -0.03    -0.00   0.00  -0.00
    94   1     0.01  -0.00   0.00     0.22  -0.04  -0.04     0.00   0.00  -0.00
    95   1    -0.00  -0.01   0.00    -0.05  -0.18   0.09     0.00  -0.00   0.00
    96   1     0.00   0.00   0.00    -0.37   0.01   0.07     0.00   0.00  -0.00
    97   1     0.02   0.05   0.04    -0.00   0.00   0.00    -0.00   0.00   0.00
    98   1    -0.07   0.01   0.01    -0.01   0.00   0.00    -0.00  -0.00  -0.00
    99   1    -0.02  -0.05  -0.04     0.00  -0.00  -0.00    -0.00   0.00   0.00
   100   1     0.06  -0.01  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
   101   1     0.01  -0.07  -0.03     0.00   0.01   0.00    -0.00   0.00  -0.00
   102   1    -0.08   0.00  -0.03     0.01  -0.00   0.00     0.00   0.00   0.00
   103   1    -0.02   0.08   0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   104   1     0.07  -0.00   0.03    -0.00   0.00   0.01    -0.00   0.00   0.00
   105   1    -0.08   0.04   0.05    -0.02   0.03   0.01     0.00   0.00  -0.00
   106   1     0.06   0.10  -0.01     0.04   0.05  -0.01     0.00  -0.00  -0.00
   107   1     0.10  -0.05  -0.05     0.02  -0.02  -0.01     0.00   0.00   0.00
   108   1    -0.05  -0.09   0.00    -0.02  -0.02   0.02     0.00  -0.00  -0.00
   109   1    -0.07   0.11  -0.05     0.00  -0.00   0.00    -0.00  -0.00  -0.00
   110   1    -0.05  -0.03  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
   111   1    -0.05  -0.04  -0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
   112   1     0.06  -0.09   0.05    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
   113   1     0.00   0.12  -0.02     0.00  -0.00   0.00    -0.00  -0.00  -0.00
   114   1    -0.06  -0.00  -0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
   115   1    -0.05  -0.02  -0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
   116   1     0.00  -0.14   0.03    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
   117   1     0.06   0.13  -0.06    -0.00  -0.00   0.00    -0.00   0.00   0.00
   118   1    -0.05   0.04   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
   119   1    -0.06   0.03   0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
   120   1    -0.04  -0.12   0.05     0.00   0.00  -0.00    -0.00   0.00  -0.00
   121   1     0.11   0.06  -0.05    -0.00  -0.00   0.00    -0.00   0.00  -0.00
   122   1    -0.04   0.06  -0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
   123   1    -0.05   0.05  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
   124   1    -0.12  -0.08   0.06     0.00   0.00  -0.00    -0.00   0.00  -0.00
   125   1     0.15  -0.12   0.10     0.01  -0.01   0.01     0.00   0.00  -0.00
   126   1     0.08   0.03  -0.03     0.01   0.00  -0.00     0.00  -0.00   0.00
   127   1     0.07   0.05  -0.05     0.00   0.00  -0.00     0.00  -0.00   0.00
   128   1    -0.13   0.10  -0.08    -0.01   0.01  -0.01     0.00   0.00   0.00
   129   1     0.03  -0.14   0.12     0.00  -0.01   0.01     0.00   0.00  -0.00
   130   1     0.10   0.01  -0.01     0.01   0.00  -0.00    -0.00   0.00  -0.00
   131   1     0.08   0.02  -0.03     0.00   0.00  -0.00     0.00   0.00  -0.00
   132   1    -0.04   0.16  -0.14    -0.00   0.01  -0.01     0.00   0.00  -0.00
   133   1    -0.00   0.00   0.00     0.00   0.00  -0.01     0.00  -0.02   0.01
   134   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
   135   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.05  -0.31  -0.51
   136   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.04   0.56  -0.12
   137   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.49  -0.11   0.23
   138   1    -0.00  -0.00  -0.00     0.01   0.01  -0.00     0.01  -0.00   0.01
   139   1     0.00  -0.00  -0.00    -0.01   0.01  -0.01    -0.01  -0.00   0.00
   140   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00  -0.00
   141   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.01   0.00
   142   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.01
   143  17     0.00  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.00   0.00
                    370                    371                    372
                      A                      A                      A
 Frequencies --   3057.5310              3059.9174              3084.3041
 Red. masses --      1.0356                 1.0579                 1.0585
 Frc consts  --      5.7040                 5.8358                 5.9327
 IR Inten    --     13.0894                26.6497                 6.7607
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   7     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   7    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    19   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    20   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    22   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    24   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    25   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    26   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    29   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    30   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    32   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    33   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    34   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    35   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    36   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    37   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    38   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    39   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    40   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    41   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    42   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    43   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    44   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    45   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    46   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    47   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    48   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    49   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    50   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    51   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    52   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    53   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    54   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    55   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    56   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    57   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    58   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    59   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    60   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    61   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    62   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    63   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    64   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    65   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    66   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    67   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    68   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    69   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    70   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    71   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    72   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    73   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    74   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    75   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    76   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    77   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    78   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    79   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    80   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    81  15    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    82   8    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    83   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    84   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.05  -0.05  -0.00
    85   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.01   0.01
    86   6    -0.00   0.00   0.00     0.00   0.01  -0.07    -0.00   0.00  -0.00
    87   6     0.01  -0.04  -0.03     0.00  -0.01   0.01     0.00   0.00   0.00
    88   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    89   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    90   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    91   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    92   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    93   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    94   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    95   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    96   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    97   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    98   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    99   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   100   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   101   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
   102   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
   103   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   104   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   105   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   106   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   107   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   108   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   109   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
   110   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   111   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   112   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   113   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
   114   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   115   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
   116   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
   117   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   118   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   119   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   120   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   121   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
   122   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   123   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   124   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   125   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   126   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   127   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   128   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   129   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   130   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   131   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   132   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   133   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.05   0.71  -0.18
   134   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.59  -0.15   0.25
   135   1     0.00  -0.00  -0.01    -0.00   0.01   0.01     0.01  -0.07  -0.10
   136   1     0.00   0.01  -0.00    -0.00  -0.01   0.00    -0.01  -0.06   0.01
   137   1    -0.01  -0.00   0.00     0.01   0.00  -0.00     0.03   0.01  -0.01
   138   1    -0.02  -0.00  -0.03     0.55  -0.01   0.57     0.00   0.00   0.00
   139   1     0.03   0.00  -0.01    -0.55  -0.11   0.21     0.00   0.00  -0.00
   140   1    -0.51  -0.12   0.21    -0.00  -0.00   0.01     0.00   0.00  -0.00
   141   1    -0.01   0.57  -0.23     0.00   0.09  -0.04     0.00  -0.00   0.00
   142   1     0.38  -0.03   0.40    -0.02   0.00  -0.02    -0.00   0.00  -0.00
   143  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
                    373                    374                    375
                      A                      A                      A
 Frequencies --   3109.8118              3126.0529              3130.8921
 Red. masses --      1.1084                 1.1059                 1.1014
 Frc consts  --      6.3158                 6.3673                 6.3611
 IR Inten    --      4.0569                 2.9789                16.0906
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    13   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    14   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    15   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    17   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   7     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    19   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    21   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    25   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    26   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    27   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    29   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    30   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    31   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    32   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    33   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    34   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    36   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    37   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    38   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    39   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    40   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    41   7    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    42   7    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    43   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    44   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    45   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    46   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    47   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    48   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    49   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    50   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    51   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    52   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    53   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    54   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    55   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    56   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    57   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    58   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    59   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    60   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    61   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    62   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    63   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    64   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    65   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    66   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    67   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    68   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    69   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    70   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    71   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    72   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    73   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    74   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    75   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    76   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    77   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    78   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    79   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    80   8     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    81  15    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    82   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    83   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    84   6    -0.00   0.00   0.00     0.04   0.04  -0.02     0.00  -0.01   0.00
    85   6     0.00  -0.00  -0.00    -0.04  -0.06   0.02     0.04  -0.06  -0.06
    86   6    -0.09  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    87   6     0.03   0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    88   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    89   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    90   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    91   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    92   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    93   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    94   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    95   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    96   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    97   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    98   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    99   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
   100   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
   101   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   102   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   103   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   104   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   105   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   106   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   107   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   108   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   109   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   110   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   111   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   112   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
   113   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   114   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   115   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
   116   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   117   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   118   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   119   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
   120   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   121   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
   122   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   123   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   124   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   125   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   126   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   127   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   128   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   129   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   130   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   131   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   132   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   133   1    -0.00  -0.00   0.00    -0.01  -0.37   0.09     0.01   0.16  -0.04
   134   1     0.00   0.00  -0.00    -0.43  -0.10   0.17    -0.03  -0.01   0.01
   135   1    -0.00   0.00   0.01    -0.01   0.03   0.08    -0.06   0.40   0.66
   136   1     0.00   0.00  -0.00     0.03   0.58  -0.12     0.03   0.36  -0.09
   137   1    -0.00  -0.00   0.00     0.46   0.09  -0.22    -0.41  -0.10   0.18
   138   1     0.37  -0.00   0.41    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   139   1     0.67   0.13  -0.28    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   140   1    -0.25  -0.06   0.11     0.00   0.00  -0.00     0.00   0.00  -0.00
   141   1     0.01  -0.04   0.02    -0.00  -0.00   0.00    -0.00  -0.01   0.00
   142   1    -0.16   0.01  -0.18     0.00  -0.00   0.00     0.01  -0.00   0.01
   143  17     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
                    376                    377                    378
                      A                      A                      A
 Frequencies --   3132.7959              3143.4321              3149.7659
 Red. masses --      1.1018                 1.1053                 1.1088
 Frc consts  --      6.3711                 6.4349                 6.4815
 IR Inten    --     22.7731                25.1435                22.8596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    15   7    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    17   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   7    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    20   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    22   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    24   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    25   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    26   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    27   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    30   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    31   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    32   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    33   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    34   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    35   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    36   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    37   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    38   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    39   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    40   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    41   7     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    42   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    43   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    44   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    45   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    46   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    47   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    48   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    49   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    50   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    51   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    52   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    53   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    54   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    55   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    56   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    57   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    58   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    59   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    60   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    61   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    62   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    63   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    64   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    65   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    66   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    67   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    68   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    69   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    70   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    71   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    72   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    73   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    74   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    75   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    76   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    77   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    78   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    79   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    80   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    81  15    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    82   8    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    83   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    84   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.05  -0.05   0.03
    85   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.03  -0.04   0.02
    86   6    -0.01  -0.00   0.01    -0.04  -0.00  -0.01     0.00  -0.00   0.00
    87   6    -0.01  -0.07   0.06    -0.08  -0.01  -0.02     0.00  -0.00   0.00
    88   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    89   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    90   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    91   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    92   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    93   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    94   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    95   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    96   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    97   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    98   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    99   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   100   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
   101   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   102   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   103   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   104   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
   105   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   106   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   107   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   108   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   109   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   110   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   111   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   112   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   113   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
   114   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   115   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
   116   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
   117   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   118   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   119   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   120   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   121   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   122   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   123   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
   124   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   125   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   126   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   127   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   128   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   129   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   130   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   131   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   132   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   133   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.51  -0.13
   134   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.53   0.12  -0.21
   135   1    -0.00   0.00   0.01     0.00  -0.00  -0.00    -0.00  -0.02  -0.01
   136   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02   0.40  -0.09
   137   1    -0.01  -0.00   0.00     0.00   0.00  -0.00     0.40   0.08  -0.18
   138   1    -0.02   0.00  -0.03     0.16   0.00   0.18    -0.00   0.00  -0.00
   139   1     0.09   0.02  -0.04     0.25   0.04  -0.11     0.00   0.00  -0.00
   140   1     0.41   0.08  -0.16     0.57   0.13  -0.25     0.00   0.00  -0.00
   141   1    -0.01   0.72  -0.28    -0.02  -0.02   0.01    -0.00   0.00  -0.00
   142   1    -0.30   0.00  -0.30     0.45  -0.03   0.50    -0.00   0.00  -0.00
   143  17     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
                    379                    380                    381
                      A                      A                      A
 Frequencies --   3180.0094              3180.2536              3180.4043
 Red. masses --      1.0854                 1.0855                 1.0855
 Frc consts  --      6.4672                 6.4684                 6.4690
 IR Inten    --      0.0902                 0.1160                 0.0906
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    15   7     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    16   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    18   7     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    20   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    24   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    25   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    29   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    30   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    32   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    33   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    34   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    35   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    36   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    37   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    38   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    39   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    40   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    41   7     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    42   7     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    43   7     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    44   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    45   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    46   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    47   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    48   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    49   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    50   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    51   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    52   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    53   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    54   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    55   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    56   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.03   0.02   0.01
    57   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03   0.01  -0.01
    58   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.02   0.01
    59   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    60   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.00  -0.00
    61   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.03   0.01
    62   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.03   0.00
    63   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.04  -0.00  -0.02
    64   6     0.00  -0.00  -0.00    -0.04   0.02   0.00    -0.00   0.00   0.00
    65   6     0.00  -0.00   0.00     0.00  -0.03   0.01     0.00  -0.00   0.00
    66   6    -0.00   0.00   0.00     0.02   0.02  -0.01     0.00   0.00  -0.00
    67   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
    68   6     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    69   6     0.00   0.00  -0.00     0.01   0.02  -0.01     0.00   0.00  -0.00
    70   6    -0.00  -0.00   0.00    -0.03  -0.00   0.01    -0.00  -0.00   0.00
    71   6     0.00  -0.00   0.00     0.02  -0.03   0.00     0.00  -0.00   0.00
    72   6     0.03   0.02  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    73   6    -0.04   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    74   6     0.01  -0.02   0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    75   6     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    76   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    77   6     0.01  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    78   6     0.01   0.02  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    79   6    -0.03  -0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    80   8     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    81  15     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    82   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    83   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    84   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    85   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    86   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    87   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    88   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    89   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    90   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    91   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    92   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    93   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    94   1    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    95   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    96   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    97   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    98   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    99   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
   100   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   101   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
   102   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
   103   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
   104   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   105   1    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
   106   1    -0.01   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   107   1     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   108   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   109   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.31  -0.24  -0.10
   110   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.30  -0.14   0.16
   111   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.29  -0.07
   112   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.06  -0.05  -0.02
   113   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.09   0.01   0.04
   114   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.17   0.31  -0.14
   115   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.20  -0.41  -0.01
   116   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.44   0.04   0.19
   117   1    -0.00   0.00   0.00     0.41  -0.20  -0.04     0.00  -0.00  -0.00
   118   1    -0.00   0.00  -0.00    -0.05   0.41  -0.12    -0.00   0.00  -0.00
   119   1     0.00   0.00  -0.00    -0.27  -0.19   0.13    -0.00  -0.00   0.00
   120   1    -0.00   0.00   0.00     0.09  -0.04  -0.01     0.00  -0.00  -0.00
   121   1    -0.00   0.00  -0.00    -0.05   0.07  -0.01    -0.00   0.00  -0.00
   122   1    -0.00  -0.00   0.00    -0.13  -0.26   0.13    -0.00  -0.00   0.00
   123   1     0.00   0.00  -0.00     0.38   0.01  -0.10     0.00   0.00  -0.00
   124   1    -0.00   0.00  -0.00    -0.25   0.35  -0.05    -0.00   0.00  -0.00
   125   1    -0.36  -0.24   0.23     0.00   0.00  -0.00    -0.00  -0.00   0.00
   126   1     0.45  -0.12   0.08    -0.00   0.00  -0.00     0.00  -0.00   0.00
   127   1    -0.09   0.29  -0.26     0.00  -0.00   0.00     0.00  -0.00   0.00
   128   1    -0.08  -0.05   0.05     0.00   0.00  -0.00     0.00   0.00  -0.00
   129   1     0.07   0.01  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
   130   1    -0.18   0.16  -0.14    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   131   1    -0.11  -0.24   0.23    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   132   1     0.39   0.04  -0.07     0.00   0.00  -0.00     0.00   0.00  -0.00
   133   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
   134   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   135   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   136   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   137   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   138   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
   139   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   140   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   141   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
   142   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   143  17     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
                    382                    383                    384
                      A                      A                      A
 Frequencies --   3181.0220              3181.2388              3181.3882
 Red. masses --      1.0854                 1.0854                 1.0854
 Frc consts  --      6.4711                 6.4720                 6.4727
 IR Inten    --      1.3369                 1.1213                 1.0946
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    15   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    18   7    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    27   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    28   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    30   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    34   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    35   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    36   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    37   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    38   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    39   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    40   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    41   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    43   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    44   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    45   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    46   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    47   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    48   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    49   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    50   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    51   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    52   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    53   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    54   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    55   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    56   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.03   0.02   0.01
    57   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.03   0.01  -0.02
    58   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.03   0.01
    59   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    60   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
    61   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.03  -0.01
    62   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.03  -0.00
    63   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.03   0.00   0.01
    64   6    -0.00   0.00   0.00     0.03  -0.01  -0.00     0.00  -0.00  -0.00
    65   6     0.00  -0.00   0.00    -0.00   0.03  -0.01    -0.00   0.00  -0.00
    66   6     0.00   0.00  -0.00    -0.02  -0.02   0.01    -0.00  -0.00   0.00
    67   6    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    68   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    69   6    -0.00  -0.00   0.00     0.01   0.03  -0.01     0.00   0.00  -0.00
    70   6     0.00   0.00  -0.00    -0.04  -0.00   0.01    -0.00  -0.00   0.00
    71   6    -0.00   0.00  -0.00     0.02  -0.03   0.00     0.00  -0.00   0.00
    72   6    -0.02  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    73   6     0.03  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    74   6    -0.01   0.02  -0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    75   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    76   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    77   6     0.02  -0.02   0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    78   6     0.01   0.03  -0.03     0.00   0.00  -0.00     0.00   0.00  -0.00
    79   6    -0.04  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    80   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    81  15     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    82   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    83   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    84   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    85   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    86   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    87   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    88   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    89   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    90   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    91   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    92   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    93   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    94   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    95   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    96   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    97   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
    98   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
    99   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
   100   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.01  -0.01
   101   1     0.00   0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00   0.00
   102   1    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
   103   1     0.00   0.00   0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
   104   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00  -0.00  -0.00
   105   1     0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   106   1     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   107   1     0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   108   1     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   109   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.33  -0.26  -0.10
   110   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.38  -0.18   0.21
   111   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.02   0.41  -0.09
   112   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.09  -0.07  -0.02
   113   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.09  -0.01  -0.04
   114   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.16  -0.29   0.13
   115   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.17   0.35   0.01
   116   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.30  -0.03  -0.13
   117   1     0.00  -0.00  -0.00    -0.33   0.16   0.03    -0.00   0.00   0.00
   118   1    -0.00   0.00  -0.00     0.05  -0.39   0.12     0.00  -0.01   0.00
   119   1    -0.00  -0.00   0.00     0.29   0.20  -0.14     0.00   0.00  -0.00
   120   1     0.00  -0.00  -0.00    -0.09   0.04   0.01    -0.00   0.00   0.00
   121   1     0.00  -0.00   0.00    -0.06   0.09  -0.02    -0.00   0.00  -0.00
   122   1     0.00   0.00  -0.00    -0.17  -0.33   0.16    -0.00  -0.00   0.00
   123   1    -0.00  -0.00   0.00     0.43   0.01  -0.12     0.01   0.00  -0.00
   124   1     0.00  -0.00   0.00    -0.23   0.33  -0.05    -0.00   0.00  -0.00
   125   1     0.22   0.15  -0.15     0.00   0.00  -0.00     0.00   0.00  -0.00
   126   1    -0.35   0.09  -0.06    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   127   1     0.08  -0.25   0.23     0.00  -0.00   0.00     0.00  -0.00   0.00
   128   1     0.07   0.05  -0.05     0.00   0.00  -0.00     0.00   0.00  -0.00
   129   1     0.11   0.01  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
   130   1    -0.27   0.25  -0.21    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   131   1    -0.16  -0.34   0.31    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   132   1     0.44   0.05  -0.08     0.00   0.00  -0.00     0.00   0.00  -0.00
   133   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   134   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   135   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   136   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   137   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   138   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   139   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   140   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
   141   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   142   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   143  17    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
                    385                    386                    387
                      A                      A                      A
 Frequencies --   3188.4339              3188.7153              3188.8302
 Red. masses --      1.0897                 1.0898                 1.0898
 Frc consts  --      6.5272                 6.5285                 6.5290
 IR Inten    --     12.3024                12.6429                11.4808
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    15   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    21   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    26   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    28   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    29   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    36   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    37   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    38   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    39   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    40   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    41   7     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    42   7     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    43   7     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    44   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    45   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    46   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    47   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    48   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    49   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    50   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    51   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    52   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    53   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    54   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    55   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    56   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.03  -0.02  -0.01
    57   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    58   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.04   0.01
    59   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.01   0.00
    60   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.01
    61   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.02  -0.04   0.02
    62   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    63   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.04   0.00   0.02
    64   6     0.00  -0.00  -0.00    -0.04   0.02   0.00     0.00  -0.00  -0.00
    65   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    66   6     0.00   0.00  -0.00    -0.03  -0.02   0.02     0.00   0.00  -0.00
    67   6    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    68   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    69   6     0.00   0.00  -0.00    -0.02  -0.04   0.02     0.00   0.00  -0.00
    70   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    71   6    -0.00   0.00  -0.00     0.02  -0.03   0.00    -0.00   0.00  -0.00
    72   6    -0.03  -0.02   0.02    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    73   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    74   6     0.01  -0.03   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    75   6     0.01   0.01  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    76   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    77   6     0.02  -0.02   0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    78   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    79   6     0.03   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    80   8    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    81  15     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    82   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    83   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    84   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    85   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    86   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    87   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    88   1    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    89   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    90   1    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    91   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    92   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
    93   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    94   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    95   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    96   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    97   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.01
    98   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.02   0.02
    99   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.02   0.01   0.01
   100   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.02  -0.02
   101   1     0.00   0.00   0.00    -0.02  -0.00  -0.01     0.00   0.00   0.00
   102   1    -0.00  -0.00  -0.00     0.00   0.02   0.01    -0.00  -0.00  -0.00
   103   1    -0.00  -0.00  -0.00     0.02   0.01   0.01    -0.00  -0.00  -0.00
   104   1     0.00   0.00   0.00    -0.00  -0.03  -0.01     0.00   0.00   0.00
   105   1    -0.01  -0.04  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   106   1    -0.02   0.02   0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
   107   1     0.01   0.02   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   108   1     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   109   1    -0.00  -0.00  -0.00     0.01   0.01   0.00     0.33   0.26   0.10
   110   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.04  -0.02   0.02
   111   1     0.00  -0.00   0.00    -0.00   0.02  -0.00    -0.03   0.48  -0.11
   112   1     0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.12  -0.10  -0.03
   113   1    -0.00  -0.00  -0.00     0.01   0.00   0.00     0.15   0.01   0.07
   114   1     0.00  -0.00   0.00    -0.01   0.02  -0.01    -0.24   0.42  -0.19
   115   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.03   0.00
   116   1     0.00   0.00   0.00    -0.02  -0.00  -0.01    -0.44  -0.04  -0.19
   117   1    -0.00   0.00   0.00     0.41  -0.20  -0.04    -0.02   0.01   0.00
   118   1    -0.00   0.00  -0.00     0.00  -0.04   0.01    -0.00   0.00  -0.00
   119   1    -0.00  -0.00   0.00     0.39   0.27  -0.20    -0.02  -0.01   0.01
   120   1     0.00  -0.00  -0.00    -0.15   0.07   0.02     0.01  -0.00  -0.00
   121   1    -0.00   0.00  -0.00     0.09  -0.14   0.02    -0.00   0.01  -0.00
   122   1    -0.00  -0.00   0.00     0.21   0.42  -0.20    -0.01  -0.02   0.01
   123   1     0.00   0.00  -0.00    -0.04  -0.00   0.01     0.00   0.00  -0.00
   124   1     0.00  -0.00   0.00    -0.25   0.37  -0.05     0.01  -0.01   0.00
   125   1     0.39   0.26  -0.25     0.00   0.00  -0.00     0.00   0.00  -0.00
   126   1     0.02  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
   127   1    -0.13   0.40  -0.36    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   128   1    -0.13  -0.09   0.09    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   129   1     0.14   0.01  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
   130   1    -0.29   0.26  -0.22    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   131   1    -0.02  -0.04   0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   132   1    -0.37  -0.04   0.06    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   133   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   134   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   135   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
   136   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   137   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   138   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
   139   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   140   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   141   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   142   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   143  17     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
                    388                    389                    390
                      A                      A                      A
 Frequencies --   3189.9342              3190.1585              3190.2812
 Red. masses --      1.0899                 1.0900                 1.0900
 Frc consts  --      6.5345                 6.5357                 6.5362
 IR Inten    --      3.9793                 4.8948                 5.3244
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   7     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    18   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    22   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    26   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    27   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    29   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    30   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    34   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    35   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    36   6     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    37   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    38   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    39   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    40   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    41   7     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    42   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    43   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    44   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    45   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    46   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    47   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    48   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    49   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    50   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    51   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    52   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    53   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    54   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    55   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    56   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.03  -0.01
    57   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    58   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.04   0.01
    59   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    60   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.01
    61   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.03  -0.01
    62   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    63   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.04  -0.00  -0.02
    64   6    -0.00   0.00   0.00    -0.04   0.02   0.00    -0.00   0.00   0.00
    65   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    66   6    -0.00  -0.00   0.00    -0.03  -0.02   0.02    -0.00  -0.00   0.00
    67   6     0.00  -0.00  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    68   6     0.00  -0.00   0.00     0.01  -0.01   0.00     0.00  -0.00   0.00
    69   6     0.00   0.00  -0.00     0.02   0.03  -0.02     0.00   0.00  -0.00
    70   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    71   6    -0.00   0.00  -0.00    -0.02   0.03  -0.01    -0.00   0.00  -0.00
    72   6    -0.03  -0.02   0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    73   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    74   6     0.01  -0.02   0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    75   6     0.01   0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    76   6     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    77   6    -0.03   0.03  -0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    78   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    79   6    -0.05  -0.01   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    80   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    81  15    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    82   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    83   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    84   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    85   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    86   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    87   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    88   1    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
    89   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    90   1     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    91   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    92   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    93   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    94   1    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    95   1    -0.03   0.02  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    96   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    97   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.03   0.02   0.01
    98   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.02  -0.02
    99   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.03   0.01   0.01
   100   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.03  -0.03
   101   1    -0.00  -0.00  -0.00    -0.03  -0.01  -0.01     0.00   0.00   0.00
   102   1     0.00   0.00   0.00     0.00   0.03   0.01     0.00   0.00   0.00
   103   1    -0.00  -0.00  -0.00    -0.03  -0.01  -0.02    -0.00  -0.00  -0.00
   104   1     0.00   0.00   0.00     0.01   0.05   0.03     0.00   0.00   0.00
   105   1    -0.02  -0.08  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   106   1    -0.03   0.03   0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
   107   1    -0.01  -0.03  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   108   1    -0.02   0.02   0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
   109   1     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.39   0.30   0.12
   110   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03   0.01  -0.02
   111   1    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.03   0.48  -0.11
   112   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.13  -0.10  -0.04
   113   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.13  -0.01  -0.06
   114   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.21  -0.37   0.17
   115   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.04  -0.00
   116   1     0.00   0.00   0.00    -0.02  -0.00  -0.01     0.43   0.04   0.19
   117   1     0.00  -0.00  -0.00     0.44  -0.21  -0.04     0.01  -0.01  -0.00
   118   1    -0.00   0.00  -0.00    -0.01   0.04  -0.01    -0.00   0.00  -0.00
   119   1     0.00   0.00  -0.00     0.36   0.25  -0.18     0.01   0.01  -0.01
   120   1    -0.00   0.00   0.00    -0.14   0.06   0.02    -0.00   0.00   0.00
   121   1    -0.00   0.00  -0.00    -0.09   0.13  -0.02    -0.00   0.00  -0.00
   122   1    -0.00  -0.00   0.00    -0.20  -0.40   0.19    -0.01  -0.01   0.01
   123   1    -0.00   0.00   0.00    -0.03   0.00   0.01    -0.00   0.00   0.00
   124   1     0.00  -0.00   0.00     0.28  -0.40   0.06     0.01  -0.01   0.00
   125   1     0.31   0.20  -0.20    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   126   1    -0.05   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
   127   1    -0.09   0.29  -0.26     0.00  -0.00   0.00     0.00  -0.00   0.00
   128   1    -0.10  -0.07   0.07     0.00   0.00  -0.00     0.00   0.00  -0.00
   129   1    -0.18  -0.02   0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
   130   1     0.35  -0.32   0.27    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   131   1    -0.01  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
   132   1     0.53   0.06  -0.09    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   133   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   134   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   135   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
   136   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
   137   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   138   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   139   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   140   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   141   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   142   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
   143  17     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
                    391                    392                    393
                      A                      A                      A
 Frequencies --   3191.2152              3192.7540              3193.4185
 Red. masses --      1.0887                 1.0883                 1.0885
 Frc consts  --      6.5326                 6.5364                 6.5405
 IR Inten    --     26.2803                21.4257                23.7195
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.02   0.01  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    10   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    12   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.03  -0.00
    14   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    16   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   7     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    20   6    -0.03   0.02  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.06   0.03   0.03
    27   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.02  -0.02
    28   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.00   0.00
    30   6     0.00  -0.00  -0.00     0.00  -0.01  -0.01     0.00  -0.01  -0.01
    31   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    32   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    34   6    -0.00  -0.00  -0.00     0.03   0.01   0.02    -0.00  -0.00  -0.00
    35   6     0.00   0.00   0.00    -0.01  -0.07  -0.04     0.00   0.00   0.00
    36   6    -0.02  -0.07  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    37   6    -0.02   0.02   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    38   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    39   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    40   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    41   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    42   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    43   7    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    44   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    45   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    46   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    47   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    48   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    49   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    50   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    51   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    52   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    53   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    54   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    55   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    56   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    57   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    58   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    59   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    60   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    61   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    62   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    63   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    64   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    65   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    66   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    67   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    68   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    69   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    70   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    71   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    72   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    73   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    74   6     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    75   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    76   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    77   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    78   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    79   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    80   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    81  15     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    82   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    83   8    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    84   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    85   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    86   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    87   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    88   1     0.00   0.00  -0.00    -0.19  -0.06   0.02     0.00   0.00  -0.00
    89   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    90   1    -0.00  -0.00   0.00    -0.00  -0.03   0.00     0.00   0.03  -0.00
    91   1     0.00  -0.00   0.00     0.05  -0.04   0.02     0.00  -0.00   0.00
    92   1     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.03   0.35   0.06
    93   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.03  -0.03   0.01
    94   1     0.00   0.03  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    95   1     0.35  -0.26   0.05     0.00  -0.00   0.00    -0.00   0.00  -0.00
    96   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    97   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.71  -0.32  -0.29
    98   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.29   0.26
    99   1     0.00  -0.00  -0.00     0.04  -0.02  -0.01     0.07  -0.03  -0.03
   100   1     0.00   0.00   0.00     0.00   0.07   0.06    -0.00   0.09   0.08
   101   1     0.00   0.00   0.00    -0.01  -0.00  -0.01    -0.03  -0.01  -0.02
   102   1    -0.00  -0.00  -0.00     0.00   0.04   0.02     0.00   0.01   0.01
   103   1     0.00   0.00   0.00    -0.34  -0.09  -0.20     0.00   0.00   0.00
   104   1    -0.00  -0.00  -0.00     0.08   0.77   0.42    -0.00  -0.01  -0.00
   105   1     0.21   0.78   0.08     0.00   0.00   0.00    -0.00  -0.01  -0.00
   106   1     0.22  -0.23  -0.15     0.00  -0.00  -0.00    -0.00   0.00   0.00
   107   1     0.01   0.03   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   108   1     0.00  -0.01  -0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
   109   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
   110   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   111   1    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.02  -0.00
   112   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   113   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.02   0.00   0.01
   114   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02  -0.04   0.02
   115   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.02   0.00
   116   1     0.00   0.00   0.00     0.00   0.00   0.00     0.04   0.00   0.02
   117   1     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
   118   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   119   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.00  -0.00   0.00
   120   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   121   1     0.00  -0.00   0.00    -0.01   0.02  -0.00     0.00  -0.00   0.00
   122   1    -0.00  -0.00   0.00     0.02   0.05  -0.02     0.00   0.00  -0.00
   123   1     0.00   0.00  -0.00    -0.03  -0.00   0.01    -0.00  -0.00   0.00
   124   1     0.00  -0.00   0.00    -0.03   0.04  -0.01    -0.00   0.00  -0.00
   125   1     0.05   0.04  -0.04     0.00  -0.00  -0.00     0.00   0.00  -0.00
   126   1     0.02  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   127   1    -0.02   0.06  -0.05    -0.00   0.00  -0.00     0.00  -0.00   0.00
   128   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   129   1    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   130   1     0.02  -0.02   0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
   131   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   132   1     0.03   0.00  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
   133   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   134   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   135   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   136   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
   137   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   138   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
   139   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   140   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
   141   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
   142   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   143  17    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
                    394                    395                    396
                      A                      A                      A
 Frequencies --   3193.7259              3194.0237              3194.1651
 Red. masses --      1.0887                 1.0884                 1.0883
 Frc consts  --      6.5428                 6.5422                 6.5419
 IR Inten    --     22.7520                12.5924                19.0658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.01  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.01   0.04  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.01   0.01  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00  -0.00  -0.00
    14   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   7     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    16   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    17   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    18   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    21   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    23   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    24   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    25   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    26   6    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    27   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    28   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    29   6    -0.00   0.00   0.00    -0.03   0.01   0.01    -0.00   0.00   0.00
    30   6     0.00  -0.00  -0.00     0.00  -0.06  -0.05     0.00  -0.00  -0.00
    31   6    -0.05  -0.02  -0.03     0.00   0.00   0.00    -0.00  -0.00  -0.00
    32   6     0.00   0.02   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    34   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   6     0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
    36   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    37   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    38   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    39   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.04   0.00
    40   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.05  -0.05  -0.03
    41   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    42   7     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    43   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    44   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    45   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    46   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    47   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    48   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    49   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    50   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    51   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    52   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    53   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    54   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    55   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    56   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    57   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    58   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    59   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    60   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    61   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    62   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    63   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    64   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    65   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    66   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    67   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    68   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    69   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    70   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    71   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    72   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    73   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    74   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    75   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    76   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    77   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    78   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    79   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    80   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    81  15     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    82   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    83   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    84   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    85   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    86   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    87   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    88   1    -0.03  -0.01   0.00    -0.02  -0.01   0.00    -0.00  -0.00   0.00
    89   1     0.13   0.05  -0.01    -0.01  -0.00   0.00     0.00   0.00  -0.00
    90   1    -0.10  -0.52   0.07     0.01   0.04  -0.00    -0.00  -0.01   0.00
    91   1     0.01  -0.01   0.00     0.10  -0.08   0.03     0.00  -0.00   0.00
    92   1     0.00   0.01   0.00    -0.01  -0.08  -0.01     0.00   0.00   0.00
    93   1     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    94   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    95   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.05  -0.03   0.01
    96   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.11   0.06
    97   1     0.03  -0.01  -0.01    -0.11   0.05   0.04     0.01  -0.00  -0.00
    98   1     0.00   0.01   0.01    -0.00  -0.02  -0.01     0.00   0.00   0.00
    99   1     0.02  -0.01  -0.01     0.34  -0.16  -0.14     0.01  -0.01  -0.01
   100   1     0.00   0.05   0.04     0.01   0.65   0.59     0.00   0.02   0.02
   101   1     0.63   0.18   0.37    -0.04  -0.01  -0.02     0.02   0.00   0.01
   102   1    -0.03  -0.30  -0.16     0.00   0.02   0.01    -0.00  -0.01  -0.00
   103   1     0.02   0.01   0.01     0.04   0.01   0.03     0.00   0.00   0.00
   104   1     0.00   0.01   0.00    -0.01  -0.10  -0.05    -0.00  -0.01  -0.00
   105   1    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
   106   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02   0.02   0.01
   107   1     0.00   0.01   0.00     0.00   0.01   0.00    -0.11  -0.42  -0.04
   108   1     0.02  -0.02  -0.01     0.02  -0.02  -0.01    -0.54   0.58   0.38
   109   1     0.00   0.00   0.00     0.03   0.03   0.01     0.00   0.00   0.00
   110   1     0.00  -0.00   0.00     0.02  -0.01   0.01     0.00  -0.00   0.00
   111   1    -0.00   0.00  -0.00    -0.00   0.04  -0.01    -0.00   0.00  -0.00
   112   1     0.00   0.00   0.00     0.02   0.02   0.01     0.00   0.00   0.00
   113   1     0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
   114   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   115   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   116   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   117   1     0.03  -0.02  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   118   1     0.00  -0.02   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
   119   1     0.03   0.02  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
   120   1     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   121   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   122   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   123   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   124   1     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   125   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
   126   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   127   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   128   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   129   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03  -0.00   0.00
   130   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.03   0.03  -0.02
   131   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.02   0.02
   132   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.04  -0.00   0.01
   133   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
   134   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   135   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   136   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   137   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   138   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   139   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   140   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
   141   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   142   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
   143  17     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
                    397                    398                    399
                      A                      A                      A
 Frequencies --   3198.4889              3199.3243              3201.8167
 Red. masses --      1.0893                 1.0883                 1.0894
 Frc consts  --      6.5657                 6.5633                 6.5802
 IR Inten    --      4.2606                 2.3672                 3.2547
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.02   0.01  -0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.07   0.01     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    10   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.08  -0.01
    14   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    15   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    16   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   7     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.06   0.05  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    23   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    24   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    25   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    26   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.01
    27   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.02   0.01
    28   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    29   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   6    -0.00  -0.00  -0.00    -0.03  -0.01  -0.02     0.00   0.00   0.00
    32   6     0.00   0.00   0.00     0.00   0.02   0.01    -0.00  -0.00  -0.00
    33   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    34   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    35   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    36   6     0.01   0.03   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    37   6     0.01  -0.02  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    38   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    39   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    40   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    41   7    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    42   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    43   7     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    44   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    45   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    46   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    47   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    48   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    49   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    50   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    51   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    52   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    53   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    54   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    55   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    56   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    57   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    58   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    59   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    60   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    61   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    62   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    63   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    64   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    65   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    66   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    67   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    68   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    69   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    70   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    71   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    72   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    73   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    74   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    75   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    76   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    77   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    78   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    79   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    80   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    81  15     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    82   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    83   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    84   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    85   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    86   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    87   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    88   1    -0.00  -0.00   0.00     0.02   0.00  -0.00     0.05   0.02  -0.01
    89   1    -0.00  -0.00   0.00    -0.23  -0.08   0.01     0.01   0.00  -0.00
    90   1     0.00   0.00  -0.00     0.15   0.77  -0.10    -0.00  -0.01   0.00
    91   1     0.00  -0.00   0.00    -0.01   0.01  -0.00    -0.04   0.03  -0.01
    92   1     0.00   0.00   0.00     0.00   0.01   0.00     0.07   0.89   0.15
    93   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.09  -0.08   0.02
    94   1     0.00   0.07  -0.03     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    95   1     0.70  -0.53   0.10    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    96   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    97   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.24   0.11   0.10
    98   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.18  -0.17
    99   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
   100   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.03   0.03
   101   1     0.00   0.00   0.00     0.38   0.11   0.22    -0.00  -0.00  -0.00
   102   1    -0.00  -0.00  -0.00    -0.03  -0.27  -0.15     0.00   0.00   0.00
   103   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01  -0.00  -0.01
   104   1     0.00   0.00   0.00     0.00   0.05   0.03     0.00   0.01   0.01
   105   1    -0.09  -0.35  -0.04     0.00   0.00   0.00     0.00   0.00   0.00
   106   1    -0.16   0.17   0.11     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   107   1     0.00   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   108   1     0.04  -0.04  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
   109   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   110   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
   111   1     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
   112   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
   113   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.05  -0.00  -0.02
   114   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   115   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.03  -0.06  -0.00
   116   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.04  -0.00  -0.02
   117   1     0.00  -0.00  -0.00     0.03  -0.01  -0.00    -0.00   0.00   0.00
   118   1     0.00  -0.00   0.00     0.00  -0.04   0.01    -0.00   0.00  -0.00
   119   1    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
   120   1     0.00  -0.00  -0.00     0.04  -0.02  -0.00    -0.00   0.00   0.00
   121   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   122   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   123   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   124   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   125   1    -0.02  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
   126   1    -0.03   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   127   1     0.00  -0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
   128   1    -0.02  -0.02   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
   129   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   130   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   131   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   132   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   133   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   134   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
   135   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
   136   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
   137   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   138   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
   139   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   140   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   141   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
   142   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   143  17    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
                    400                    401                    402
                      A                      A                      A
 Frequencies --   3203.5432              3203.7708              3203.8827
 Red. masses --      1.0947                 1.0947                 1.0947
 Frc consts  --      6.6194                 6.6204                 6.6209
 IR Inten    --     27.7234                24.2940                22.8933
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    14   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    16   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    18   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    23   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    25   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    26   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    27   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    29   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    32   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    33   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    34   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    36   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    37   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    38   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    39   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    40   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    41   7    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    42   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    43   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    44   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    45   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    46   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    47   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    48   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    49   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    50   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    51   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    52   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    53   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    54   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    55   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    56   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.01   0.00
    57   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.04  -0.02   0.02
    58   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.02   0.00
    59   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.01   0.00
    60   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.01
    61   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.02   0.01
    62   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.02  -0.05  -0.00
    63   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.03  -0.00  -0.01
    64   6    -0.00   0.00   0.00     0.02  -0.01  -0.00    -0.00   0.00   0.00
    65   6     0.00   0.00  -0.00     0.01  -0.05   0.01    -0.00   0.00  -0.00
    66   6    -0.00  -0.00   0.00    -0.02  -0.01   0.01     0.00   0.00  -0.00
    67   6    -0.00   0.00   0.00     0.02  -0.01  -0.00    -0.00   0.00   0.00
    68   6    -0.00   0.00  -0.00    -0.01   0.02  -0.00     0.00  -0.00   0.00
    69   6    -0.00  -0.00   0.00    -0.01  -0.02   0.01     0.00   0.00  -0.00
    70   6    -0.00  -0.00   0.00    -0.05  -0.00   0.01     0.00   0.00  -0.00
    71   6    -0.00   0.00  -0.00    -0.01   0.02  -0.00     0.00  -0.00   0.00
    72   6    -0.02  -0.02   0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    73   6    -0.05   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    74   6    -0.00   0.02  -0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    75   6    -0.02  -0.01   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    76   6     0.02   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    77   6    -0.01   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    78   6     0.01   0.03  -0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    79   6     0.02   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    80   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    81  15     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    82   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    83   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    84   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    85   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    86   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    87   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    88   1     0.00   0.00  -0.00    -0.07  -0.02   0.01    -0.02  -0.01   0.00
    89   1     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    90   1     0.00   0.00  -0.00     0.01   0.03  -0.00    -0.00  -0.00   0.00
    91   1    -0.00   0.00  -0.00     0.03  -0.03   0.01     0.01  -0.01   0.01
    92   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.01   0.07   0.01
    93   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
    94   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    95   1     0.02  -0.02   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    96   1     0.00   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    97   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.06   0.03   0.02
    98   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.02   0.01
    99   1    -0.00   0.00  -0.00    -0.01   0.00   0.00    -0.04   0.02   0.01
   100   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.03   0.03
   101   1    -0.00  -0.00  -0.00     0.05   0.01   0.03    -0.00  -0.00  -0.00
   102   1     0.00   0.00   0.00     0.00   0.02   0.01    -0.00  -0.00  -0.00
   103   1     0.00   0.00   0.00     0.05   0.01   0.03     0.00   0.00   0.00
   104   1     0.00   0.00   0.00     0.00   0.03   0.01    -0.00  -0.01  -0.00
   105   1    -0.02  -0.06  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
   106   1     0.03  -0.03  -0.02    -0.00   0.00   0.00     0.00  -0.00  -0.00
   107   1    -0.01  -0.03  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   108   1     0.02  -0.02  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
   109   1     0.00   0.00   0.00    -0.02  -0.01  -0.00    -0.19  -0.15  -0.06
   110   1     0.00  -0.00   0.00    -0.03   0.01  -0.02    -0.40   0.19  -0.21
   111   1    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.01   0.19  -0.04
   112   1     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.18  -0.14  -0.05
   113   1     0.00   0.00   0.00     0.01   0.00   0.01     0.25   0.02   0.11
   114   1    -0.00   0.00  -0.00    -0.01   0.01  -0.00    -0.11   0.19  -0.09
   115   1     0.00   0.00   0.00     0.01   0.03   0.00     0.26   0.53   0.02
   116   1     0.00   0.00   0.00     0.01   0.00   0.01     0.29   0.03   0.12
   117   1     0.00  -0.00  -0.00    -0.26   0.12   0.03     0.02  -0.01  -0.00
   118   1     0.00  -0.00   0.00    -0.07   0.53  -0.16     0.00  -0.04   0.01
   119   1     0.00   0.00  -0.00     0.18   0.12  -0.09    -0.01  -0.01   0.01
   120   1     0.00  -0.00  -0.00    -0.23   0.11   0.03     0.02  -0.01  -0.00
   121   1     0.00  -0.00   0.00     0.14  -0.20   0.04    -0.01   0.01  -0.00
   122   1     0.00   0.00  -0.00     0.09   0.18  -0.08    -0.00  -0.01   0.00
   123   1     0.00   0.00  -0.00     0.51   0.01  -0.14    -0.03  -0.00   0.01
   124   1     0.00  -0.00   0.00     0.15  -0.23   0.03    -0.01   0.01  -0.00
   125   1     0.25   0.17  -0.17    -0.00  -0.00   0.00     0.00   0.00  -0.00
   126   1     0.61  -0.16   0.11    -0.00   0.00  -0.00     0.00  -0.00   0.00
   127   1     0.05  -0.18   0.16    -0.00   0.00  -0.00     0.00  -0.00   0.00
   128   1     0.22   0.15  -0.15    -0.00  -0.00   0.00     0.00   0.00  -0.00
   129   1    -0.20  -0.02   0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
   130   1     0.12  -0.10   0.09     0.00  -0.00   0.00    -0.00   0.00  -0.00
   131   1    -0.14  -0.30   0.27    -0.00  -0.00   0.00     0.00   0.00  -0.00
   132   1    -0.21  -0.02   0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
   133   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   134   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   135   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
   136   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   137   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   138   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
   139   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   140   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   141   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
   142   1     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   143  17    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
                    403                    404                    405
                      A                      A                      A
 Frequencies --   3204.1751              3204.3321              3204.4690
 Red. masses --      1.0948                 1.0946                 1.0947
 Frc consts  --      6.6222                 6.6217                 6.6231
 IR Inten    --     64.3672                46.9925                69.7328
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.01   0.00  -0.00    -0.01  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    10   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   7    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    19   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    24   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    26   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    27   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    29   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    30   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    31   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    32   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    34   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    36   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    37   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    38   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    39   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    40   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    41   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    42   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    43   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    44   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    45   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    46   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    47   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    48   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    49   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    50   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    51   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    52   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    53   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    54   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    55   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    56   6    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.02  -0.02  -0.01
    57   6    -0.00   0.00  -0.00     0.01  -0.01   0.01    -0.04   0.02  -0.02
    58   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.02  -0.00
    59   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.02  -0.00
    60   6    -0.00  -0.00  -0.00     0.01   0.00   0.00    -0.02  -0.00  -0.01
    61   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
    62   6    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.02  -0.04  -0.00
    63   6    -0.00  -0.00  -0.00     0.01   0.00   0.00    -0.02  -0.00  -0.01
    64   6    -0.00   0.00   0.00    -0.03   0.01   0.00    -0.01   0.00   0.00
    65   6    -0.00   0.00  -0.00    -0.00   0.04  -0.01    -0.00   0.01  -0.00
    66   6     0.00   0.00  -0.00     0.01   0.01  -0.01     0.00   0.00  -0.00
    67   6    -0.00   0.00   0.00    -0.02   0.01   0.00    -0.01   0.00   0.00
    68   6    -0.00   0.00  -0.00    -0.01   0.02  -0.00    -0.00   0.01  -0.00
    69   6    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00  -0.01   0.00
    70   6    -0.00  -0.00   0.00    -0.04  -0.00   0.01    -0.01  -0.00   0.00
    71   6    -0.00   0.00  -0.00    -0.01   0.02  -0.00    -0.00   0.01  -0.00
    72   6    -0.02  -0.01   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    73   6    -0.03   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    74   6    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    75   6    -0.01  -0.01   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    76   6    -0.03  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    77   6     0.02  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    78   6    -0.02  -0.04   0.04     0.00   0.00  -0.00     0.00   0.00  -0.00
    79   6    -0.03  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    80   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    81  15     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    82   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    83   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    84   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    85   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    86   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    87   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    88   1    -0.00  -0.00   0.00    -0.16  -0.06   0.02     0.08   0.03  -0.01
    89   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    90   1     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.00
    91   1     0.00  -0.00   0.00     0.08  -0.07   0.03    -0.05   0.04  -0.02
    92   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.03   0.00
    93   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    94   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    95   1     0.01  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    96   1    -0.00  -0.01   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    97   1    -0.00   0.00   0.00     0.01  -0.01  -0.00    -0.04   0.02   0.02
    98   1     0.00   0.00   0.00    -0.00  -0.01  -0.01     0.00   0.01   0.01
    99   1     0.00  -0.00  -0.00    -0.02   0.01   0.01     0.03  -0.02  -0.01
   100   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.03  -0.03
   101   1    -0.00  -0.00  -0.00    -0.05  -0.01  -0.03    -0.01  -0.00  -0.01
   102   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
   103   1     0.00   0.00   0.00     0.05   0.01   0.03    -0.01  -0.00  -0.00
   104   1     0.00   0.00   0.00     0.00   0.01   0.01     0.00   0.02   0.01
   105   1    -0.01  -0.04  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
   106   1     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
   107   1     0.01   0.03   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   108   1    -0.03   0.04   0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   109   1     0.01   0.01   0.00    -0.07  -0.05  -0.02     0.25   0.20   0.08
   110   1     0.02  -0.01   0.01    -0.12   0.06  -0.06     0.45  -0.21   0.24
   111   1     0.00  -0.01   0.00    -0.00   0.05  -0.01     0.01  -0.20   0.04
   112   1     0.01   0.01   0.00    -0.06  -0.05  -0.02     0.21   0.17   0.06
   113   1     0.00   0.00   0.00    -0.06  -0.00  -0.03     0.20   0.02   0.09
   114   1    -0.00   0.00  -0.00     0.02  -0.04   0.02    -0.08   0.14  -0.06
   115   1     0.00   0.01   0.00    -0.06  -0.12  -0.00     0.20   0.41   0.01
   116   1     0.01   0.00   0.00    -0.07  -0.01  -0.03     0.25   0.02   0.11
   117   1     0.01  -0.01  -0.00     0.27  -0.13  -0.03     0.08  -0.04  -0.01
   118   1     0.00  -0.02   0.01     0.06  -0.47   0.14     0.02  -0.13   0.04
   119   1    -0.01  -0.00   0.00    -0.15  -0.10   0.07    -0.04  -0.03   0.02
   120   1     0.01  -0.00  -0.00     0.22  -0.10  -0.03     0.06  -0.03  -0.01
   121   1     0.01  -0.01   0.00     0.14  -0.20   0.04     0.04  -0.07   0.01
   122   1     0.00   0.01  -0.00     0.07   0.16  -0.07     0.03   0.06  -0.03
   123   1     0.03   0.00  -0.01     0.48   0.01  -0.13     0.16   0.00  -0.04
   124   1     0.01  -0.01   0.00     0.17  -0.25   0.04     0.06  -0.08   0.01
   125   1     0.19   0.12  -0.12    -0.01  -0.01   0.01    -0.01  -0.01   0.01
   126   1     0.39  -0.10   0.07    -0.02   0.00  -0.00    -0.02   0.00  -0.00
   127   1     0.03  -0.11   0.10    -0.00   0.00  -0.00    -0.00   0.01  -0.00
   128   1     0.15   0.10  -0.10    -0.01  -0.00   0.00    -0.01  -0.00   0.00
   129   1     0.30   0.03  -0.04    -0.01  -0.00   0.00    -0.01  -0.00   0.00
   130   1    -0.16   0.14  -0.12     0.01  -0.01   0.00     0.01  -0.01   0.00
   131   1     0.20   0.44  -0.41    -0.01  -0.02   0.02    -0.01  -0.02   0.02
   132   1     0.36   0.04  -0.06    -0.01  -0.00   0.00    -0.01  -0.00   0.00
   133   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   134   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
   135   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   136   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   137   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   138   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   139   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   140   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
   141   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
   142   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   143  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
                    406                    407                    408
                      A                      A                      A
 Frequencies --   3204.9242              3211.5776              3212.2729
 Red. masses --      1.0902                 1.0944                 1.0945
 Frc consts  --      6.5976                 6.6508                 6.6539
 IR Inten    --      2.2039                 6.2622                 2.1719
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.06  -0.02   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.03  -0.03   0.01     0.00  -0.00   0.00     0.01  -0.01   0.00
    12   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   6     0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    15   7     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    16   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    20   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    21   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.02  -0.01     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    24   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    26   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.01
    28   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    29   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.02   0.01   0.01
    30   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.01   0.01
    31   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01
    32   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.03  -0.02
    33   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    34   6     0.01   0.00   0.01     0.00   0.00   0.00    -0.05  -0.01  -0.03
    35   6    -0.00  -0.01  -0.01     0.00   0.00   0.00    -0.00  -0.02  -0.01
    36   6     0.00   0.00   0.00    -0.01  -0.02  -0.00     0.00   0.00   0.00
    37   6     0.00  -0.00  -0.00     0.03  -0.03  -0.02    -0.00   0.00   0.00
    38   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    39   6     0.00   0.00   0.00    -0.01  -0.05  -0.00    -0.00  -0.00  -0.00
    40   6     0.00  -0.00  -0.00     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    41   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    42   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    43   7    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    44   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    45   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    46   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    47   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    48   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    49   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    50   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    51   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    52   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    53   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    54   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    55   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    56   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    57   6     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    58   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
    59   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00
    60   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    61   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    62   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    63   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    64   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    65   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    66   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01   0.01  -0.00
    67   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.01  -0.00
    68   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.02  -0.00
    69   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00     0.01   0.01  -0.01
    70   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.00
    71   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    72   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    73   6     0.00  -0.00   0.00    -0.01   0.00  -0.00     0.00  -0.00   0.00
    74   6     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    75   6     0.00   0.00  -0.00     0.02   0.01  -0.01    -0.00  -0.00   0.00
    76   6     0.00   0.00  -0.00    -0.02  -0.00   0.00    -0.00  -0.00   0.00
    77   6    -0.00   0.00  -0.00    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    78   6     0.00   0.00  -0.00     0.00   0.01  -0.01     0.00   0.00  -0.00
    79   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    80   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    81  15    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    82   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    83   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    84   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    85   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    86   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    87   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    88   1     0.73   0.25  -0.08    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    89   1     0.04   0.01  -0.00     0.00  -0.00  -0.00    -0.02  -0.01   0.00
    90   1    -0.01  -0.03   0.00    -0.00  -0.00   0.00     0.00   0.02  -0.00
    91   1    -0.37   0.32  -0.13    -0.00   0.00  -0.00    -0.11   0.09  -0.04
    92   1    -0.01  -0.08  -0.01     0.00   0.00   0.00    -0.00  -0.02  -0.00
    93   1    -0.01   0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    94   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00   0.00  -0.00
    95   1     0.00  -0.00   0.00    -0.04   0.03  -0.01     0.00  -0.00   0.00
    96   1     0.00   0.00  -0.00    -0.01  -0.17   0.09    -0.00  -0.00   0.00
    97   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.05  -0.02  -0.02
    98   1     0.00   0.02   0.02    -0.00  -0.00  -0.00    -0.00  -0.10  -0.09
    99   1     0.08  -0.03  -0.03     0.00  -0.00  -0.00     0.20  -0.09  -0.08
   100   1     0.00   0.06   0.06    -0.00   0.00   0.00    -0.00  -0.06  -0.06
   101   1     0.01   0.00   0.01     0.00   0.00   0.00     0.15   0.04   0.09
   102   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.03   0.33   0.18
   103   1    -0.14  -0.04  -0.08    -0.00  -0.00  -0.00     0.54   0.15   0.32
   104   1     0.01   0.12   0.06    -0.00  -0.00  -0.00     0.03   0.26   0.14
   105   1    -0.00  -0.00  -0.00     0.07   0.27   0.03    -0.00  -0.00  -0.00
   106   1    -0.00   0.00   0.00    -0.37   0.39   0.26     0.00  -0.00  -0.00
   107   1    -0.00  -0.00  -0.00     0.14   0.52   0.05     0.00   0.00   0.00
   108   1    -0.00   0.00   0.00    -0.14   0.15   0.10    -0.00   0.00   0.00
   109   1    -0.05  -0.04  -0.02     0.00   0.00   0.00    -0.01  -0.01  -0.00
   110   1    -0.09   0.04  -0.05     0.00  -0.00   0.00    -0.04   0.02  -0.02
   111   1    -0.00   0.05  -0.01    -0.00   0.00  -0.00    -0.00   0.06  -0.01
   112   1    -0.03  -0.03  -0.01     0.00   0.00   0.00     0.08   0.06   0.02
   113   1    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00    -0.06  -0.01  -0.03
   114   1     0.01  -0.02   0.01    -0.00   0.00  -0.00    -0.02   0.03  -0.01
   115   1    -0.02  -0.05  -0.00     0.00   0.00   0.00     0.01   0.02   0.00
   116   1    -0.03  -0.00  -0.01     0.00   0.00   0.00     0.01   0.00   0.00
   117   1     0.03  -0.01  -0.00     0.00  -0.00  -0.00     0.03  -0.01  -0.00
   118   1     0.01  -0.04   0.01     0.00  -0.00   0.00     0.01  -0.07   0.02
   119   1    -0.01  -0.01   0.01    -0.00  -0.00   0.00    -0.08  -0.06   0.04
   120   1     0.02  -0.01  -0.00     0.00  -0.00  -0.00    -0.18   0.08   0.02
   121   1     0.03  -0.04   0.01    -0.00   0.00  -0.00     0.16  -0.24   0.04
   122   1     0.03   0.06  -0.03     0.00   0.00  -0.00    -0.07  -0.14   0.06
   123   1     0.14   0.00  -0.04     0.00   0.00  -0.00    -0.11  -0.00   0.03
   124   1     0.05  -0.07   0.01     0.00  -0.00   0.00    -0.03   0.04  -0.01
   125   1    -0.00  -0.00   0.00     0.04   0.02  -0.02    -0.00  -0.00   0.00
   126   1    -0.00   0.00  -0.00     0.11  -0.03   0.02    -0.00   0.00  -0.00
   127   1    -0.00   0.00  -0.00     0.04  -0.11   0.10    -0.00   0.00  -0.00
   128   1    -0.00  -0.00   0.00    -0.19  -0.13   0.13     0.00   0.00  -0.00
   129   1    -0.00  -0.00   0.00     0.20   0.02  -0.03     0.00   0.00  -0.00
   130   1     0.00  -0.00   0.00     0.08  -0.07   0.06     0.00  -0.00   0.00
   131   1    -0.00  -0.00   0.00    -0.03  -0.06   0.06    -0.00  -0.00   0.00
   132   1    -0.00  -0.00   0.00    -0.04  -0.00   0.01    -0.00  -0.00   0.00
   133   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
   134   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
   135   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   136   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   137   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   138   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
   139   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
   140   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   141   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
   142   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   143  17     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                    409                    410                    411
                      A                      A                      A
 Frequencies --   3212.5020              3212.7195              3213.7071
 Red. masses --      1.0946                 1.0942                 1.0949
 Frc consts  --      6.6554                 6.6544                 6.6625
 IR Inten    --      9.7493                 2.3824                 5.0762
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    14   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    15   7     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   7     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    19   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    20   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   6    -0.00  -0.00   0.00     0.00   0.03  -0.02     0.00   0.00  -0.00
    23   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    24   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    25   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   6    -0.02   0.01   0.01     0.00  -0.00  -0.00    -0.02   0.01   0.01
    27   6     0.00   0.03   0.03     0.00   0.00   0.00     0.00   0.03   0.03
    28   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    29   6    -0.04   0.02   0.02    -0.00   0.00   0.00     0.03  -0.01  -0.01
    30   6     0.00   0.02   0.01     0.00   0.00   0.00    -0.00  -0.01  -0.01
    31   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.02  -0.00  -0.01
    32   6     0.00   0.01   0.01     0.00   0.00   0.00    -0.00  -0.03  -0.02
    33   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    34   6     0.01   0.00   0.01     0.00   0.00   0.00     0.02   0.00   0.01
    35   6     0.00   0.01   0.00    -0.00   0.00   0.00     0.00   0.01   0.00
    36   6    -0.00  -0.00  -0.00     0.01   0.02   0.00     0.00   0.00   0.00
    37   6     0.00  -0.00  -0.00    -0.03   0.03   0.02    -0.00   0.00   0.00
    38   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    39   6     0.00   0.00   0.00    -0.01  -0.04  -0.00     0.00   0.00   0.00
    40   6    -0.00   0.00   0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    41   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    42   7    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    43   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    44   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    45   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    46   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    47   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    48   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    49   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    50   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    51   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    52   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    53   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    54   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    55   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    56   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    57   6     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    58   6     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
    59   6    -0.02  -0.01  -0.01    -0.00  -0.00  -0.00     0.01   0.01   0.00
    60   6     0.02   0.00   0.01     0.00   0.00   0.00     0.02   0.00   0.01
    61   6     0.01  -0.01   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.00
    62   6    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    63   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    64   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    65   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
    66   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    67   6    -0.01   0.00   0.00    -0.00   0.00   0.00     0.02  -0.01  -0.00
    68   6     0.01  -0.01   0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
    69   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    70   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    71   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    72   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    73   6    -0.00   0.00  -0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
    74   6    -0.00   0.00  -0.00     0.00  -0.01   0.01     0.00  -0.00   0.00
    75   6     0.00   0.00  -0.00    -0.02  -0.01   0.01    -0.00  -0.00   0.00
    76   6     0.00   0.00  -0.00    -0.02  -0.00   0.00     0.00   0.00  -0.00
    77   6     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    78   6    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    79   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    80   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    81  15    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    82   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    83   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    84   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    85   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    86   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    87   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    88   1    -0.08  -0.03   0.01    -0.00  -0.00   0.00     0.09   0.03  -0.01
    89   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02  -0.01   0.00
    90   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00     0.01   0.03  -0.00
    91   1    -0.02   0.01  -0.01    -0.00   0.00  -0.00     0.11  -0.09   0.04
    92   1    -0.00  -0.05  -0.01    -0.00  -0.00  -0.00    -0.00  -0.05  -0.01
    93   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    94   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    95   1     0.00  -0.00   0.00     0.04  -0.03   0.01     0.00  -0.00   0.00
    96   1    -0.00   0.00   0.00    -0.02  -0.38   0.19    -0.00  -0.00   0.00
    97   1     0.21  -0.09  -0.08    -0.00   0.00   0.00     0.21  -0.09  -0.08
    98   1    -0.01  -0.36  -0.33    -0.00  -0.00  -0.00    -0.01  -0.32  -0.29
    99   1     0.47  -0.21  -0.19     0.00  -0.00  -0.00    -0.30   0.13   0.12
   100   1    -0.00  -0.18  -0.16    -0.00  -0.00  -0.00     0.00   0.12   0.11
   101   1    -0.07  -0.02  -0.04    -0.00  -0.00  -0.00     0.19   0.05   0.11
   102   1    -0.01  -0.14  -0.08    -0.00  -0.00  -0.00     0.03   0.35   0.19
   103   1    -0.17  -0.04  -0.10    -0.00  -0.00  -0.00    -0.18  -0.05  -0.11
   104   1    -0.01  -0.09  -0.05    -0.00  -0.00  -0.00    -0.01  -0.09  -0.05
   105   1     0.00   0.00   0.00    -0.07  -0.26  -0.03    -0.00  -0.00  -0.00
   106   1    -0.00   0.00   0.00     0.31  -0.32  -0.21     0.00  -0.00  -0.00
   107   1    -0.00  -0.00  -0.00     0.14   0.50   0.05    -0.00  -0.00  -0.00
   108   1     0.00  -0.00  -0.00    -0.14   0.15   0.10     0.00  -0.00  -0.00
   109   1    -0.04  -0.03  -0.01    -0.00  -0.00  -0.00     0.03   0.02   0.01
   110   1    -0.09   0.04  -0.05    -0.00   0.00  -0.00     0.06  -0.03   0.03
   111   1    -0.01   0.16  -0.04    -0.00   0.00  -0.00     0.01  -0.11   0.02
   112   1     0.22   0.17   0.06     0.00   0.00   0.00    -0.16  -0.13  -0.05
   113   1    -0.24  -0.02  -0.11    -0.00  -0.00  -0.00    -0.25  -0.02  -0.12
   114   1    -0.06   0.12  -0.05     0.00  -0.00   0.00    -0.06   0.11  -0.05
   115   1     0.04   0.09   0.00    -0.00  -0.00  -0.00     0.04   0.08   0.00
   116   1     0.04   0.00   0.02    -0.00  -0.00  -0.00     0.04   0.00   0.02
   117   1    -0.01   0.01   0.00    -0.00   0.00   0.00     0.04  -0.02  -0.00
   118   1    -0.00   0.03  -0.01    -0.00   0.00  -0.00     0.01  -0.08   0.02
   119   1     0.03   0.02  -0.02     0.00   0.00  -0.00    -0.10  -0.07   0.05
   120   1     0.08  -0.04  -0.01     0.00  -0.00  -0.00    -0.25   0.12   0.03
   121   1    -0.06   0.08  -0.01    -0.00   0.00  -0.00    -0.06   0.09  -0.02
   122   1     0.02   0.05  -0.02     0.00   0.00  -0.00     0.02   0.05  -0.02
   123   1     0.04   0.00  -0.01    -0.00  -0.00   0.00     0.04   0.00  -0.01
   124   1     0.01  -0.01   0.00    -0.00   0.00  -0.00     0.01  -0.02   0.00
   125   1     0.00   0.00  -0.00    -0.03  -0.02   0.02     0.00   0.00  -0.00
   126   1     0.00  -0.00   0.00    -0.10   0.02  -0.02     0.00  -0.00   0.00
   127   1     0.00  -0.00   0.00    -0.03   0.10  -0.09    -0.00   0.00  -0.00
   128   1    -0.00  -0.00   0.00     0.19   0.13  -0.13     0.00   0.00  -0.00
   129   1    -0.00  -0.00   0.00     0.20   0.02  -0.03    -0.00  -0.00   0.00
   130   1    -0.00   0.00  -0.00     0.07  -0.07   0.06    -0.00   0.00  -0.00
   131   1     0.00   0.00  -0.00    -0.03  -0.06   0.05     0.00   0.00  -0.00
   132   1     0.00   0.00  -0.00    -0.04  -0.00   0.01     0.00   0.00  -0.00
   133   1    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
   134   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   135   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   136   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   137   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   138   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   139   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   140   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
   141   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
   142   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
   143  17     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                    412                    413                    414
                      A                      A                      A
 Frequencies --   3213.8581              3214.9139              3215.4077
 Red. masses --      1.0952                 1.0919                 1.0943
 Frc consts  --      6.6647                 6.6495                 6.6659
 IR Inten    --      4.3775                 6.9082                16.9359
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   7    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    18   7     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00  -0.06   0.03    -0.00  -0.00   0.00
    23   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    26   6     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   6    -0.00  -0.02  -0.02     0.00   0.00   0.00     0.00   0.00   0.00
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    29   6    -0.02   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    30   6     0.00   0.01   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    31   6    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    32   6    -0.00  -0.03  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    34   6     0.02   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    35   6     0.00   0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    36   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    37   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.02  -0.02
    38   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    39   6    -0.00  -0.00  -0.00    -0.00  -0.02  -0.00    -0.00  -0.01  -0.00
    40   6    -0.00   0.00   0.00     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    41   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    42   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    43   7     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    44   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    45   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    46   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    47   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    48   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    49   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    50   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    51   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    52   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    53   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    54   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    55   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    56   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    57   6     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    58   6     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    59   6    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    60   6    -0.02  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    61   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    62   6     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    63   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    64   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    65   6    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    66   6     0.01   0.01  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    67   6     0.02  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    68   6     0.01  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    69   6    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    70   6    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    71   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    72   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    73   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    74   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.02   0.02
    75   6     0.00   0.00  -0.00    -0.01  -0.01   0.01    -0.05  -0.03   0.03
    76   6    -0.00  -0.00   0.00    -0.03  -0.00   0.01     0.03   0.00  -0.00
    77   6    -0.00   0.00  -0.00    -0.01   0.01  -0.01     0.01  -0.01   0.01
    78   6    -0.00  -0.00   0.00     0.00   0.01  -0.01    -0.00  -0.00   0.00
    79   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    80   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    81  15     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    82   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    83   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    84   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    85   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    86   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    87   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    88   1    -0.07  -0.02   0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    89   1    -0.04  -0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    90   1     0.01   0.04  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    91   1     0.01  -0.01   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
    92   1     0.00   0.04   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    93   1     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    94   1     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    95   1    -0.00   0.00  -0.00     0.02  -0.01   0.00    -0.02   0.01  -0.00
    96   1    -0.00  -0.00   0.00     0.03   0.74  -0.37     0.00   0.04  -0.02
    97   1    -0.16   0.07   0.06     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    98   1     0.01   0.24   0.22    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    99   1     0.27  -0.12  -0.11    -0.00   0.00   0.00     0.00  -0.00  -0.00
   100   1    -0.00  -0.13  -0.11    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   101   1     0.22   0.06   0.13     0.00   0.00   0.00    -0.00  -0.00  -0.00
   102   1     0.04   0.39   0.21     0.00   0.00   0.00    -0.00  -0.00  -0.00
   103   1    -0.27  -0.07  -0.16    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   104   1    -0.02  -0.16  -0.09     0.00   0.00   0.00    -0.00  -0.00  -0.00
   105   1     0.00   0.00   0.00    -0.01  -0.04  -0.00     0.04   0.15   0.02
   106   1     0.00  -0.00  -0.00     0.05  -0.05  -0.03    -0.25   0.26   0.17
   107   1     0.00   0.00   0.00     0.05   0.18   0.02     0.03   0.12   0.01
   108   1     0.00  -0.00  -0.00    -0.14   0.15   0.10    -0.02   0.03   0.02
   109   1    -0.03  -0.02  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
   110   1    -0.06   0.03  -0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
   111   1    -0.01   0.11  -0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
   112   1     0.17   0.13   0.05     0.00   0.00   0.00    -0.00  -0.00  -0.00
   113   1     0.20   0.02   0.09    -0.00  -0.00  -0.00     0.00   0.00   0.00
   114   1     0.05  -0.09   0.04    -0.00   0.00  -0.00     0.00  -0.00   0.00
   115   1    -0.03  -0.06  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
   116   1    -0.03  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
   117   1     0.04  -0.02  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   118   1     0.01  -0.10   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
   119   1    -0.12  -0.08   0.06    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   120   1    -0.28   0.13   0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
   121   1    -0.11   0.16  -0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
   122   1     0.04   0.08  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   123   1     0.06   0.00  -0.02    -0.00  -0.00   0.00    -0.00   0.00   0.00
   124   1     0.02  -0.03   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   125   1     0.00   0.00  -0.00    -0.01  -0.01   0.01    -0.05  -0.04   0.03
   126   1     0.00  -0.00   0.00    -0.04   0.01  -0.01    -0.16   0.04  -0.03
   127   1     0.00  -0.00   0.00    -0.01   0.04  -0.04    -0.07   0.22  -0.20
   128   1    -0.00  -0.00   0.00     0.09   0.06  -0.06     0.54   0.36  -0.37
   129   1     0.00   0.00  -0.00     0.38   0.04  -0.06    -0.30  -0.03   0.04
   130   1     0.00  -0.00   0.00     0.11  -0.10   0.09    -0.08   0.07  -0.06
   131   1     0.00   0.00  -0.00    -0.03  -0.07   0.07     0.02   0.04  -0.04
   132   1     0.00   0.00  -0.00    -0.05  -0.00   0.01     0.02   0.00  -0.00
   133   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
   134   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
   135   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   136   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   137   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   138   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   139   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
   140   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   141   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
   142   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
   143  17    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
                    415                    416                    417
                      A                      A                      A
 Frequencies --   3216.0180              3216.0786              3216.4493
 Red. masses --      1.0939                 1.0941                 1.0942
 Frc consts  --      6.6660                 6.6675                 6.6697
 IR Inten    --      3.5745                27.2166                 2.2304
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.01   0.00  -0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    10   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.01  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   7     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    17   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   7     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    20   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.02  -0.01
    23   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    26   6    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    27   6     0.00   0.01   0.01    -0.00  -0.02  -0.01    -0.00  -0.00  -0.00
    28   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    29   6    -0.01   0.01   0.01     0.02  -0.01  -0.01     0.00  -0.00  -0.00
    30   6     0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    31   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    32   6    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01     0.00   0.00   0.00
    33   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   6    -0.02  -0.01  -0.01    -0.01  -0.00  -0.01     0.00   0.00   0.00
    35   6     0.00  -0.01  -0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    36   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    37   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.01
    38   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    39   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.01   0.04   0.00
    40   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.01
    41   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    42   7    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    43   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    44   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    45   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    46   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    47   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    48   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    49   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    50   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    51   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    52   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    53   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    54   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    55   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    56   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    57   6    -0.01   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    58   6    -0.00   0.01  -0.00     0.00  -0.02   0.00     0.00  -0.00   0.00
    59   6     0.03   0.02   0.01    -0.04  -0.03  -0.01    -0.00  -0.00  -0.00
    60   6    -0.01  -0.00  -0.01     0.03   0.00   0.01     0.00   0.00   0.00
    61   6    -0.00   0.01  -0.00     0.01  -0.01   0.01     0.00  -0.00   0.00
    62   6     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    63   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    64   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    65   6     0.00  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    66   6    -0.01  -0.01   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    67   6    -0.03   0.01   0.00    -0.02   0.01   0.00     0.00  -0.00  -0.00
    68   6     0.03  -0.04   0.01     0.02  -0.02   0.00    -0.00   0.00  -0.00
    69   6    -0.01  -0.02   0.01    -0.01  -0.01   0.00     0.00   0.00  -0.00
    70   6    -0.01   0.00   0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
    71   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    72   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    73   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    74   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.01
    75   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.01   0.01
    76   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.01   0.01
    77   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.02  -0.01
    78   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.01
    79   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    80   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    81  15    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    82   8     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    83   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    84   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    85   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    86   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    87   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    88   1    -0.11  -0.04   0.01     0.07   0.02  -0.01    -0.01  -0.00   0.00
    89   1    -0.02  -0.01   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    90   1     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    91   1    -0.14   0.12  -0.05     0.05  -0.04   0.02    -0.01   0.01  -0.00
    92   1    -0.00  -0.01  -0.00     0.00   0.02   0.00     0.00   0.00   0.00
    93   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    94   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.00
    95   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.00
    96   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.24   0.12
    97   1     0.04  -0.02  -0.01    -0.07   0.03   0.03    -0.00   0.00   0.00
    98   1    -0.00  -0.09  -0.08     0.00   0.17   0.15     0.00   0.00   0.00
    99   1     0.15  -0.07  -0.06    -0.26   0.12   0.11    -0.00   0.00   0.00
   100   1    -0.00  -0.03  -0.03     0.00   0.08   0.07     0.00   0.00   0.00
   101   1     0.07   0.02   0.04     0.05   0.01   0.03    -0.00  -0.00  -0.00
   102   1     0.02   0.19   0.10     0.01   0.14   0.07    -0.00  -0.00  -0.00
   103   1     0.22   0.06   0.13     0.15   0.04   0.09    -0.00  -0.00  -0.00
   104   1     0.01   0.07   0.04     0.01   0.07   0.04    -0.00  -0.00  -0.00
   105   1     0.00   0.00   0.00     0.00   0.00   0.00     0.02   0.09   0.01
   106   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.11   0.12   0.08
   107   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.11  -0.41  -0.04
   108   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.14  -0.15  -0.10
   109   1     0.03   0.02   0.01    -0.04  -0.03  -0.01     0.00   0.00   0.00
   110   1     0.07  -0.03   0.04    -0.09   0.04  -0.05    -0.00   0.00  -0.00
   111   1     0.01  -0.15   0.03    -0.01   0.21  -0.05    -0.00   0.00  -0.00
   112   1    -0.28  -0.22  -0.08     0.41   0.32   0.12     0.00   0.00   0.00
   113   1     0.16   0.01   0.07    -0.36  -0.03  -0.16    -0.01  -0.00  -0.00
   114   1     0.03  -0.06   0.03    -0.07   0.13  -0.06    -0.00   0.00  -0.00
   115   1    -0.02  -0.03  -0.00     0.03   0.07   0.00     0.00   0.00   0.00
   116   1    -0.01  -0.00  -0.00     0.03   0.00   0.01     0.00   0.00   0.00
   117   1    -0.02   0.01   0.00    -0.02   0.01   0.00     0.00  -0.00  -0.00
   118   1    -0.01   0.06  -0.02    -0.01   0.05  -0.01     0.00  -0.00   0.00
   119   1     0.10   0.07  -0.05     0.08   0.06  -0.04    -0.00  -0.00   0.00
   120   1     0.29  -0.14  -0.04     0.24  -0.11  -0.03    -0.00   0.00   0.00
   121   1    -0.33   0.49  -0.08    -0.18   0.27  -0.05     0.00  -0.01   0.00
   122   1     0.10   0.20  -0.09     0.05   0.11  -0.05    -0.00  -0.00   0.00
   123   1     0.12   0.00  -0.03     0.07   0.00  -0.02    -0.00  -0.00   0.00
   124   1     0.03  -0.04   0.01     0.02  -0.02   0.00    -0.00   0.00  -0.00
   125   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.02   0.02
   126   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.06   0.01  -0.01
   127   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.07  -0.07
   128   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.18   0.12  -0.13
   129   1     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.67   0.07  -0.10
   130   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.17  -0.16   0.13
   131   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.05  -0.10   0.09
   132   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.01   0.01
   133   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
   134   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
   135   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   136   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   137   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
   138   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
   139   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   140   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
   141   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   142   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   143  17     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
                    418                    419                    420
                      A                      A                      A
 Frequencies --   3216.5909              3216.7605              3217.5429
 Red. masses --      1.0934                 1.0944                 1.0899
 Frc consts  --      6.6655                 6.6724                 6.6481
 IR Inten    --      9.6280                 0.1725                12.2958
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.02  -0.01   0.00     0.00   0.00  -0.00    -0.04  -0.01   0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   6    -0.02   0.02  -0.01     0.00  -0.00   0.00    -0.04   0.04  -0.02
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    24   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   6    -0.01   0.00   0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.00
    27   6     0.00   0.02   0.02    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
    28   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    29   6     0.01  -0.00  -0.00    -0.01   0.01   0.01    -0.02   0.01   0.01
    30   6    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.00   0.01   0.01
    31   6    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01     0.00   0.00   0.00
    32   6    -0.00  -0.02  -0.01    -0.00  -0.03  -0.01     0.00   0.01   0.00
    33   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    34   6     0.00   0.00   0.00     0.02   0.00   0.01    -0.01  -0.00  -0.01
    35   6    -0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.01
    36   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    37   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    38   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    39   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    40   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    41   7    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    42   7    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    43   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    44   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    45   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    46   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    47   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    48   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    49   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    50   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    51   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    52   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    53   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    54   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    55   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    56   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    57   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    58   6     0.00  -0.01   0.00    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    59   6    -0.02  -0.01  -0.00     0.02   0.01   0.01     0.01   0.01   0.00
    60   6    -0.04  -0.00  -0.02     0.03   0.00   0.01     0.01   0.00   0.00
    61   6    -0.01   0.02  -0.01     0.01  -0.01   0.00     0.00  -0.00   0.00
    62   6     0.01   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    63   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    64   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    65   6     0.00  -0.01   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    66   6    -0.01  -0.01   0.01    -0.01  -0.01   0.01     0.00   0.00  -0.00
    67   6    -0.03   0.02   0.00    -0.04   0.02   0.00     0.01  -0.00  -0.00
    68   6    -0.01   0.01  -0.00    -0.02   0.03  -0.00     0.01  -0.01   0.00
    69   6     0.00   0.01  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
    70   6     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    71   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    72   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    73   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    74   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    75   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    76   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    77   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    78   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    79   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    80   8     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    81  15    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    82   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    83   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    84   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    85   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    86   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    87   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    88   1     0.20   0.07  -0.02    -0.05  -0.02   0.01     0.43   0.15  -0.04
    89   1     0.01   0.00  -0.00    -0.03  -0.01   0.00     0.07   0.02  -0.00
    90   1     0.00   0.02  -0.00     0.00   0.02  -0.00     0.00   0.01  -0.00
    91   1     0.24  -0.20   0.08    -0.02   0.02  -0.01     0.52  -0.44   0.19
    92   1    -0.00  -0.02  -0.00     0.00   0.02   0.00     0.00   0.03   0.00
    93   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02  -0.01   0.00
    94   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    95   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    96   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
    97   1     0.12  -0.05  -0.05    -0.09   0.04   0.04    -0.06   0.03   0.02
    98   1    -0.01  -0.23  -0.21     0.00   0.17   0.15     0.00   0.10   0.09
    99   1    -0.10   0.04   0.04     0.16  -0.07  -0.06     0.23  -0.10  -0.09
   100   1     0.00   0.01   0.01    -0.00  -0.06  -0.06    -0.00  -0.15  -0.14
   101   1     0.10   0.03   0.06     0.14   0.04   0.08    -0.03  -0.01  -0.02
   102   1     0.02   0.22   0.12     0.03   0.29   0.16    -0.01  -0.07  -0.04
   103   1    -0.06  -0.02  -0.03    -0.20  -0.05  -0.11     0.13   0.04   0.08
   104   1    -0.00  -0.01  -0.00    -0.01  -0.10  -0.06     0.01   0.11   0.06
   105   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   106   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   107   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
   108   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   109   1    -0.02  -0.02  -0.01     0.02   0.02   0.01     0.01   0.01   0.00
   110   1    -0.05   0.02  -0.03     0.05  -0.02   0.03     0.03  -0.01   0.02
   111   1    -0.01   0.10  -0.02     0.01  -0.10   0.02     0.00  -0.07   0.02
   112   1     0.19   0.15   0.06    -0.21  -0.16  -0.06    -0.16  -0.12  -0.04
   113   1     0.47   0.04   0.21    -0.31  -0.03  -0.14    -0.12  -0.01  -0.05
   114   1     0.09  -0.16   0.07    -0.06   0.11  -0.05    -0.02   0.04  -0.02
   115   1    -0.05  -0.10  -0.00     0.03   0.06   0.00     0.01   0.02   0.00
   116   1    -0.05  -0.00  -0.02     0.03   0.00   0.01     0.01   0.00   0.01
   117   1    -0.03   0.02   0.00    -0.04   0.02   0.00     0.01  -0.00  -0.00
   118   1    -0.01   0.08  -0.02    -0.01   0.10  -0.03     0.00  -0.01   0.00
   119   1     0.12   0.08  -0.06     0.14   0.10  -0.07    -0.02  -0.01   0.01
   120   1     0.36  -0.17  -0.04     0.43  -0.20  -0.05    -0.06   0.03   0.01
   121   1     0.10  -0.15   0.03     0.20  -0.30   0.05    -0.07   0.10  -0.02
   122   1    -0.03  -0.06   0.03    -0.06  -0.12   0.06     0.02   0.04  -0.02
   123   1    -0.04  -0.00   0.01    -0.08  -0.00   0.02     0.02   0.00  -0.01
   124   1    -0.01   0.02  -0.00    -0.02   0.03  -0.00     0.01  -0.01   0.00
   125   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   126   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   127   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   128   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   129   1     0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   130   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   131   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   132   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   133   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   134   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   135   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   136   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
   137   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   138   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
   139   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
   140   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
   141   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   142   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
   143  17    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    421                    422                    423
                      A                      A                      A
 Frequencies --   3224.7305              3256.0830              3279.3644
 Red. masses --      1.0932                 1.0914                 1.0909
 Frc consts  --      6.6980                 6.8172                 6.9123
 IR Inten    --      3.5417                 0.7684                 1.1548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.08  -0.03   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.03   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    10   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    14   6     0.00  -0.00   0.00    -0.07   0.05  -0.01     0.00  -0.00   0.00
    15   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    16   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    17   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   7     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.08   0.04
    20   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    21   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    25   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    26   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    27   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    28   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    30   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    32   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    34   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    35   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    36   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    37   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    38   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    39   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    40   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    41   7    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    42   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    43   7     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    44   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    45   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    46   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    47   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    48   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    49   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    50   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    51   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    52   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    53   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    54   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    55   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    56   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    57   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    58   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    59   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    60   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    61   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    62   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    63   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    64   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    65   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    66   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    67   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    68   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    69   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    70   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    71   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    72   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    73   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    74   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    75   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    76   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    77   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    78   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    79   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    80   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    81  15    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    82   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    83   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    84   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    85   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    86   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    87   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    88   1    -0.06  -0.02   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    89   1     0.90   0.30  -0.05     0.00   0.00  -0.00     0.00   0.00  -0.00
    90   1     0.05   0.28  -0.03     0.00   0.00  -0.00    -0.00  -0.00   0.00
    91   1    -0.03   0.03  -0.01    -0.01   0.01  -0.01     0.00  -0.00   0.00
    92   1    -0.00  -0.00  -0.00    -0.01  -0.13  -0.02     0.00   0.00   0.00
    93   1    -0.00   0.00  -0.00     0.76  -0.61   0.13    -0.00   0.00  -0.00
    94   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.06   0.90  -0.41
    95   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.07   0.05  -0.01
    96   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.00
    97   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    98   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    99   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   100   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
   101   1     0.03   0.01   0.02    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
   102   1     0.00   0.02   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
   103   1    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
   104   1    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
   105   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   106   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   107   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
   108   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
   109   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   110   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   111   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
   112   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   113   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
   114   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
   115   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   116   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
   117   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   118   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   119   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   120   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
   121   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   122   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   123   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   124   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
   125   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   126   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   127   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
   128   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   129   1    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
   130   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   131   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   132   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
   133   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   134   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
   135   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
   136   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
   137   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
   138   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
   139   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
   140   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
   141   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
   142   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
   143  17     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  7 and mass  14.00307
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  7 and mass  14.00307
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  6 and mass  12.00000
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  6 and mass  12.00000
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  6 and mass  12.00000
 Atom    31 has atomic number  6 and mass  12.00000
 Atom    32 has atomic number  6 and mass  12.00000
 Atom    33 has atomic number  6 and mass  12.00000
 Atom    34 has atomic number  6 and mass  12.00000
 Atom    35 has atomic number  6 and mass  12.00000
 Atom    36 has atomic number  6 and mass  12.00000
 Atom    37 has atomic number  6 and mass  12.00000
 Atom    38 has atomic number  6 and mass  12.00000
 Atom    39 has atomic number  6 and mass  12.00000
 Atom    40 has atomic number  6 and mass  12.00000
 Atom    41 has atomic number  7 and mass  14.00307
 Atom    42 has atomic number  7 and mass  14.00307
 Atom    43 has atomic number  7 and mass  14.00307
 Atom    44 has atomic number  6 and mass  12.00000
 Atom    45 has atomic number  6 and mass  12.00000
 Atom    46 has atomic number  6 and mass  12.00000
 Atom    47 has atomic number  6 and mass  12.00000
 Atom    48 has atomic number  6 and mass  12.00000
 Atom    49 has atomic number  6 and mass  12.00000
 Atom    50 has atomic number  6 and mass  12.00000
 Atom    51 has atomic number  6 and mass  12.00000
 Atom    52 has atomic number  6 and mass  12.00000
 Atom    53 has atomic number  6 and mass  12.00000
 Atom    54 has atomic number  6 and mass  12.00000
 Atom    55 has atomic number  6 and mass  12.00000
 Atom    56 has atomic number  6 and mass  12.00000
 Atom    57 has atomic number  6 and mass  12.00000
 Atom    58 has atomic number  6 and mass  12.00000
 Atom    59 has atomic number  6 and mass  12.00000
 Atom    60 has atomic number  6 and mass  12.00000
 Atom    61 has atomic number  6 and mass  12.00000
 Atom    62 has atomic number  6 and mass  12.00000
 Atom    63 has atomic number  6 and mass  12.00000
 Atom    64 has atomic number  6 and mass  12.00000
 Atom    65 has atomic number  6 and mass  12.00000
 Atom    66 has atomic number  6 and mass  12.00000
 Atom    67 has atomic number  6 and mass  12.00000
 Atom    68 has atomic number  6 and mass  12.00000
 Atom    69 has atomic number  6 and mass  12.00000
 Atom    70 has atomic number  6 and mass  12.00000
 Atom    71 has atomic number  6 and mass  12.00000
 Atom    72 has atomic number  6 and mass  12.00000
 Atom    73 has atomic number  6 and mass  12.00000
 Atom    74 has atomic number  6 and mass  12.00000
 Atom    75 has atomic number  6 and mass  12.00000
 Atom    76 has atomic number  6 and mass  12.00000
 Atom    77 has atomic number  6 and mass  12.00000
 Atom    78 has atomic number  6 and mass  12.00000
 Atom    79 has atomic number  6 and mass  12.00000
 Atom    80 has atomic number  8 and mass  15.99491
 Atom    81 has atomic number 15 and mass  30.97376
 Atom    82 has atomic number  8 and mass  15.99491
 Atom    83 has atomic number  8 and mass  15.99491
 Atom    84 has atomic number  6 and mass  12.00000
 Atom    85 has atomic number  6 and mass  12.00000
 Atom    86 has atomic number  6 and mass  12.00000
 Atom    87 has atomic number  6 and mass  12.00000
 Atom    88 has atomic number  1 and mass   1.00783
 Atom    89 has atomic number  1 and mass   1.00783
 Atom    90 has atomic number  1 and mass   1.00783
 Atom    91 has atomic number  1 and mass   1.00783
 Atom    92 has atomic number  1 and mass   1.00783
 Atom    93 has atomic number  1 and mass   1.00783
 Atom    94 has atomic number  1 and mass   1.00783
 Atom    95 has atomic number  1 and mass   1.00783
 Atom    96 has atomic number  1 and mass   1.00783
 Atom    97 has atomic number  1 and mass   1.00783
 Atom    98 has atomic number  1 and mass   1.00783
 Atom    99 has atomic number  1 and mass   1.00783
 Atom   100 has atomic number  1 and mass   1.00783
 Atom   101 has atomic number  1 and mass   1.00783
 Atom   102 has atomic number  1 and mass   1.00783
 Atom   103 has atomic number  1 and mass   1.00783
 Atom   104 has atomic number  1 and mass   1.00783
 Atom   105 has atomic number  1 and mass   1.00783
 Atom   106 has atomic number  1 and mass   1.00783
 Atom   107 has atomic number  1 and mass   1.00783
 Atom   108 has atomic number  1 and mass   1.00783
 Atom   109 has atomic number  1 and mass   1.00783
 Atom   110 has atomic number  1 and mass   1.00783
 Atom   111 has atomic number  1 and mass   1.00783
 Atom   112 has atomic number  1 and mass   1.00783
 Atom   113 has atomic number  1 and mass   1.00783
 Atom   114 has atomic number  1 and mass   1.00783
 Atom   115 has atomic number  1 and mass   1.00783
 Atom   116 has atomic number  1 and mass   1.00783
 Atom   117 has atomic number  1 and mass   1.00783
 Atom   118 has atomic number  1 and mass   1.00783
 Atom   119 has atomic number  1 and mass   1.00783
 Atom   120 has atomic number  1 and mass   1.00783
 Atom   121 has atomic number  1 and mass   1.00783
 Atom   122 has atomic number  1 and mass   1.00783
 Atom   123 has atomic number  1 and mass   1.00783
 Atom   124 has atomic number  1 and mass   1.00783
 Atom   125 has atomic number  1 and mass   1.00783
 Atom   126 has atomic number  1 and mass   1.00783
 Atom   127 has atomic number  1 and mass   1.00783
 Atom   128 has atomic number  1 and mass   1.00783
 Atom   129 has atomic number  1 and mass   1.00783
 Atom   130 has atomic number  1 and mass   1.00783
 Atom   131 has atomic number  1 and mass   1.00783
 Atom   132 has atomic number  1 and mass   1.00783
 Atom   133 has atomic number  1 and mass   1.00783
 Atom   134 has atomic number  1 and mass   1.00783
 Atom   135 has atomic number  1 and mass   1.00783
 Atom   136 has atomic number  1 and mass   1.00783
 Atom   137 has atomic number  1 and mass   1.00783
 Atom   138 has atomic number  1 and mass   1.00783
 Atom   139 has atomic number  1 and mass   1.00783
 Atom   140 has atomic number  1 and mass   1.00783
 Atom   141 has atomic number  1 and mass   1.00783
 Atom   142 has atomic number  1 and mass   1.00783
 Atom   143 has atomic number 17 and mass  34.96885
 Molecular mass:  1175.37311 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  ******************************
           X            1.00000  -0.00160   0.00100
           Y            0.00160   0.99999  -0.00372
           Z           -0.00099   0.00372   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.00085     0.00036     0.00028
 Rotational constants (GHZ):           0.01777     0.00740     0.00582
 Zero-point vibrational energy    2960800.9 (Joules/Mol)
                                  707.64841 (Kcal/Mol)
 Warning -- explicit consideration of 117 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:      6.92    10.92    13.90    14.21    14.89
          (Kelvin)             15.44    23.26    24.25    32.33    38.76
                               41.20    45.22    49.22    59.70    66.59
                               70.44    73.70    76.53    84.36    88.95
                               91.23    96.64    99.19   105.14   114.10
                              124.84   128.62   147.07   151.53   154.95
                              158.12   159.68   161.66   164.61   177.95
                              189.23   207.49   219.41   219.64   219.92
                              225.75   235.32   240.66   253.39   258.00
                              271.04   284.31   303.07   312.90   317.34
                              334.97   349.46   355.79   357.72   363.68
                              372.40   375.70   385.10   392.67   401.56
                              424.25   424.46   424.48   426.46   441.18
                              455.69   462.60   480.79   493.66   513.22
                              521.48   524.80   536.65   557.78   570.12
                              589.66   600.46   610.11   612.53   613.57
                              615.54   618.83   620.60   624.87   627.17
                              628.55   630.94   632.97   640.24   641.11
                              648.81   654.77   660.62   660.74   660.79
                              666.67   682.40   708.05   719.17   724.21
                              747.01   763.15   765.23   769.54   779.46
                              786.12   791.22   800.50   819.61   831.35
                              831.41   831.49   839.37   839.40   839.54
                              874.37   890.28   899.11   900.66   902.13
                              903.97   911.62   918.49   921.52   922.76
                              925.50   935.18   950.31   953.04   954.68
                              966.58   969.75   976.96  1007.88  1014.04
                             1028.00  1044.56  1063.81  1064.47  1064.47
                             1065.48  1070.10  1071.62  1075.98  1081.53
                             1083.77  1085.75  1086.82  1087.20  1088.50
                             1098.18  1099.70  1099.83  1099.98  1103.77
                             1116.99  1125.21  1134.27  1134.37  1134.44
                             1136.59  1153.05  1159.76  1161.18  1177.56
                             1184.26  1194.05  1214.02  1217.20  1223.08
                             1223.65  1224.33  1229.03  1235.58  1243.48
                             1246.43  1247.90  1250.81  1252.73  1253.04
                             1253.17  1256.07  1288.43  1306.94  1319.87
                             1323.48  1341.77  1343.21  1343.50  1344.64
                             1345.35  1345.55  1345.60  1346.71  1346.80
                             1346.89  1371.25  1373.37  1373.50  1375.73
                             1378.56  1397.81  1398.44  1398.61  1399.30
                             1399.56  1399.82  1400.31  1405.71  1406.61
                             1406.94  1407.97  1408.44  1409.11  1410.91
                             1421.95  1432.99  1467.96  1468.09  1468.14
                             1475.67  1485.66  1488.51  1493.69  1499.07
                             1505.88  1507.19  1507.44  1507.54  1517.52
                             1517.70  1517.81  1531.38  1547.19  1549.28
                             1571.71  1615.81  1621.76  1624.00  1624.18
                             1624.31  1642.61  1642.83  1643.52  1650.68
                             1650.86  1650.90  1652.48  1667.27  1697.36
                             1697.65  1697.76  1702.32  1703.02  1708.45
                             1708.58  1708.68  1711.40  1724.38  1725.37
                             1725.53  1729.62  1749.53  1750.39  1750.81
                             1780.64  1798.94  1806.62  1806.88  1807.40
                             1810.79  1822.26  1822.40  1822.43  1831.70
                             1849.01  1870.24  1874.58  1882.75  1885.31
                             1886.67  1889.24  1891.43  1899.30  1904.11
                             1905.39  1907.09  1912.49  1919.60  1932.86
                             1935.61  1935.89  1935.93  1937.47  1941.41
                             1942.31  1943.47  1947.35  1959.22  1976.77
                             1991.21  1991.52  1991.84  2000.60  2000.73
                             2000.96  2012.94  2013.07  2013.31  2022.20
                             2028.34  2062.89  2065.93  2067.77  2068.00
                             2076.39  2104.05  2111.46  2117.81  2141.40
                             2141.91  2142.52  2154.20  2154.26  2154.31
                             2155.21  2155.58  2176.97  2178.78  2186.36
                             2186.53  2186.57  2189.89  2200.25  2202.42
                             2203.58  2203.85  2205.32  2210.28  2211.13
                             2243.98  2248.07  2250.51  2289.94  2299.21
                             2305.39  2325.04  2326.02  2333.52  2343.76
                             2343.94  2344.01  2347.24  2347.53  2348.02
                             2366.20  2375.98  2376.02  2376.08  2377.98
                             2385.65  2390.65  2391.33  2396.63  2409.03
                             2409.19  2409.37  2419.61  4395.63  4399.11
                             4402.54  4437.63  4474.33  4497.69  4504.66
                             4507.39  4522.70  4531.81  4575.32  4575.68
                             4575.89  4576.78  4577.09  4577.31  4587.45
                             4587.85  4588.02  4589.60  4589.93  4590.10
                             4591.45  4593.66  4594.62  4595.06  4595.49
                             4595.69  4601.91  4603.11  4606.70  4609.18
                             4609.51  4609.67  4610.09  4610.32  4610.52
                             4611.17  4620.74  4621.74  4622.07  4622.39
                             4623.81  4624.02  4625.54  4626.25  4627.13
                             4627.22  4627.75  4627.96  4628.20  4629.33
                             4639.67  4684.78  4718.27
 
 Zero-point correction=                           1.127710 (Hartree/Particle)
 Thermal correction to Energy=                    1.198114
 Thermal correction to Enthalpy=                  1.199058
 Thermal correction to Gibbs Free Energy=         1.009833
 Sum of electronic and zero-point Energies=          -4305.552989
 Sum of electronic and thermal Energies=             -4305.482585
 Sum of electronic and thermal Enthalpies=           -4305.481641
 Sum of electronic and thermal Free Energies=        -4305.670866
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  751.828            282.675            398.257
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             47.063
 Rotational               0.889              2.981             44.145
 Vibrational            750.050            276.713            307.049
 Vibration     1          0.593              1.987              9.465
 Vibration     2          0.593              1.987              8.559
 Vibration     3          0.593              1.987              8.079
 Vibration     4          0.593              1.987              8.036
 Vibration     5          0.593              1.987              7.943
 Vibration     6          0.593              1.987              7.871
 Vibration     7          0.593              1.986              7.057
 Vibration     8          0.593              1.986              6.974
 Vibration     9          0.593              1.985              6.403
 Vibration    10          0.593              1.984              6.043
 Vibration    11          0.593              1.984              5.922
 Vibration    12          0.594              1.983              5.737
 Vibration    13          0.594              1.983              5.569
 Vibration    14          0.594              1.981              5.186
 Vibration    15          0.595              1.979              4.970
 Vibration    16          0.595              1.978              4.859
 Vibration    17          0.595              1.977              4.770
 Vibration    18          0.596              1.976              4.695
 Vibration    19          0.596              1.974              4.503
 Vibration    20          0.597              1.973              4.398
 Vibration    21          0.597              1.972              4.348
 Vibration    22          0.598              1.970              4.235
 Vibration    23          0.598              1.969              4.183
 Vibration    24          0.599              1.967              4.069
 Vibration    25          0.600              1.963              3.908
 Vibration    26          0.601              1.958              3.732
 Vibration    27          0.602              1.957              3.673
 Vibration    28          0.604              1.947              3.412
 Vibration    29          0.605              1.945              3.353
 Vibration    30          0.606              1.943              3.310
 Vibration    31          0.606              1.941              3.271
 Vibration    32          0.607              1.940              3.252
 Vibration    33          0.607              1.939              3.228
 Vibration    34          0.607              1.937              3.193
 Vibration    35          0.610              1.929              3.042
 Vibration    36          0.612              1.922              2.924
 Vibration    37          0.616              1.909              2.747
 Vibration    38          0.619              1.900              2.641
 Vibration    39          0.619              1.900              2.639
 Vibration    40          0.619              1.900              2.636
 Vibration    41          0.621              1.895              2.587
 Vibration    42          0.623              1.887              2.508
 Vibration    43          0.624              1.883              2.466
 Vibration    44          0.628              1.872              2.369
 Vibration    45          0.629              1.868              2.336
 Vibration    46          0.633              1.856              2.244
 Vibration    47          0.637              1.843              2.155
 Vibration    48          0.643              1.825              2.038
 Vibration    49          0.646              1.814              1.980
 Vibration    50          0.647              1.810              1.954
 Vibration    51          0.654              1.791              1.857
 Vibration    52          0.659              1.775              1.782
 Vibration    53          0.661              1.767              1.750
 Vibration    54          0.662              1.765              1.740
 Vibration    55          0.664              1.758              1.711
 Vibration    56          0.668              1.748              1.670
 Vibration    57          0.669              1.744              1.654
 Vibration    58          0.673              1.733              1.611
 Vibration    59          0.676              1.723              1.578
 Vibration    60          0.679              1.712              1.539
 Vibration    61          0.689              1.683              1.446
 Vibration    62          0.689              1.683              1.445
 Vibration    63          0.689              1.683              1.445
 Vibration    64          0.690              1.680              1.437
 Vibration    65          0.697              1.661              1.380
 Vibration    66          0.704              1.642              1.327
 Vibration    67          0.707              1.632              1.302
 Vibration    68          0.716              1.607              1.240
 Vibration    69          0.722              1.589              1.198
 Vibration    70          0.732              1.561              1.136
 Vibration    71          0.736              1.550              1.112
 Vibration    72          0.738              1.545              1.102
 Vibration    73          0.744              1.528              1.067
 Vibration    74          0.756              1.497              1.009
 Vibration    75          0.763              1.478              0.977
 Vibration    76          0.774              1.449              0.927
 Vibration    77          0.780              1.433              0.901
 Vibration    78          0.786              1.418              0.878
 Vibration    79          0.788              1.414              0.873
 Vibration    80          0.788              1.413              0.870
 Vibration    81          0.789              1.410              0.866
 Vibration    82          0.791              1.405              0.858
 Vibration    83          0.792              1.402              0.854
 Vibration    84          0.795              1.395              0.845
 Vibration    85          0.796              1.392              0.840
 Vibration    86          0.797              1.390              0.837
 Vibration    87          0.799              1.386              0.831
 Vibration    88          0.800              1.383              0.827
 Vibration    89          0.804              1.372              0.811
 Vibration    90          0.805              1.371              0.809
 Vibration    91          0.810              1.359              0.793
 Vibration    92          0.813              1.350              0.781
 Vibration    93          0.817              1.341              0.769
 Vibration    94          0.817              1.340              0.768
 Vibration    95          0.817              1.340              0.768
 Vibration    96          0.821              1.331              0.756
 Vibration    97          0.831              1.307              0.726
 Vibration    98          0.848              1.267              0.678
 Vibration    99          0.855              1.250              0.659
 Vibration   100          0.859              1.243              0.650
 Vibration   101          0.874              1.207              0.612
 Vibration   102          0.885              1.183              0.586
 Vibration   103          0.887              1.180              0.583
 Vibration   104          0.890              1.173              0.576
 Vibration   105          0.897              1.158              0.562
 Vibration   106          0.902              1.148              0.552
 Vibration   107          0.905              1.140              0.544
 Vibration   108          0.912              1.126              0.531
 Vibration   109          0.926              1.097              0.505
 Vibration   110          0.934              1.079              0.489
 Vibration   111          0.934              1.079              0.489
 Vibration   112          0.934              1.079              0.489
 Vibration   113          0.940              1.067              0.479
 Vibration   114          0.940              1.067              0.479
 Vibration   115          0.940              1.067              0.479
 Vibration   116          0.967              1.015              0.437
 Vibration   117          0.979              0.992              0.418
                       Q            Log10(Q)             Ln(Q)
 Total Bot                          -464.490654      -1069.529255
 Total V=0                            54.219258        124.844455
 Vib (Bot)                          -482.686648      -1111.427081
 Vib (Bot)    1  0.430782D+02          1.634257          3.763016
 Vib (Bot)    2  0.273038D+02          1.436223          3.307025
 Vib (Bot)    3  0.214455D+02          1.331337          3.065517
 Vib (Bot)    4  0.209777D+02          1.321758          3.043460
 Vib (Bot)    5  0.200236D+02          1.301542          2.996910
 Vib (Bot)    6  0.193098D+02          1.285779          2.960615
 Vib (Bot)    7  0.128137D+02          1.107676          2.550519
 Vib (Bot)    8  0.122934D+02          1.089673          2.509064
 Vib (Bot)    9  0.921719D+01          0.964598          2.221070
 Vib (Bot)   10  0.768626D+01          0.885715          2.039435
 Vib (Bot)   11  0.723150D+01          0.859229          1.978447
 Vib (Bot)   12  0.658663D+01          0.818663          1.885042
 Vib (Bot)   13  0.605118D+01          0.781840          1.800253
 Vib (Bot)   14  0.498557D+01          0.697714          1.606547
 Vib (Bot)   15  0.446831D+01          0.650143          1.497010
 Vib (Bot)   16  0.422264D+01          0.625584          1.440460
 Vib (Bot)   17  0.403543D+01          0.605890          1.395113
 Vib (Bot)   18  0.388541D+01          0.589436          1.357228
 Vib (Bot)   19  0.352232D+01          0.546829          1.259120
 Vib (Bot)   20  0.333954D+01          0.523686          1.205833
 Vib (Bot)   21  0.325546D+01          0.512613          1.180335
 Vib (Bot)   22  0.307166D+01          0.487373          1.122219
 Vib (Bot)   23  0.299205D+01          0.475968          1.095957
 Vib (Bot)   24  0.282112D+01          0.450421          1.037133
 Vib (Bot)   25  0.259720D+01          0.414506          0.954435
 Vib (Bot)   26  0.237086D+01          0.374905          0.863251
 Vib (Bot)   27  0.230021D+01          0.361768          0.833001
 Vib (Bot)   28  0.200684D+01          0.302514          0.696563
 Vib (Bot)   29  0.194662D+01          0.289281          0.666095
 Vib (Bot)   30  0.190274D+01          0.279379          0.643295
 Vib (Bot)   31  0.186368D+01          0.270372          0.622554
 Vib (Bot)   32  0.184506D+01          0.266010          0.612511
 Vib (Bot)   33  0.182186D+01          0.260515          0.599858
 Vib (Bot)   34  0.178843D+01          0.252471          0.581336
 Vib (Bot)   35  0.165086D+01          0.217710          0.501297
 Vib (Bot)   36  0.154949D+01          0.190188          0.437924
 Vib (Bot)   37  0.140832D+01          0.148701          0.342396
 Vib (Bot)   38  0.132869D+01          0.123423          0.284191
 Vib (Bot)   39  0.132724D+01          0.122951          0.283104
 Vib (Bot)   40  0.132547D+01          0.122370          0.281768
 Vib (Bot)   41  0.128968D+01          0.110481          0.254392
 Vib (Bot)   42  0.123468D+01          0.091556          0.210815
 Vib (Bot)   43  0.120587D+01          0.081299          0.187199
 Vib (Bot)   44  0.114198D+01          0.057658          0.132762
 Vib (Bot)   45  0.112035D+01          0.049353          0.113640
 Vib (Bot)   46  0.106306D+01          0.026557          0.061149
 Vib (Bot)   47  0.100996D+01          0.004304          0.009910
 Vib (Bot)   48  0.942670D+00         -0.025641         -0.059039
 Vib (Bot)   49  0.910511D+00         -0.040715         -0.093750
 Vib (Bot)   50  0.896595D+00         -0.047404         -0.109151
 Vib (Bot)   51  0.844947D+00         -0.073170         -0.168481
 Vib (Bot)   52  0.806223D+00         -0.093545         -0.215395
 Vib (Bot)   53  0.790260D+00         -0.102230         -0.235394
 Vib (Bot)   54  0.785511D+00         -0.104848         -0.241420
 Vib (Bot)   55  0.771113D+00         -0.112882         -0.259921
 Vib (Bot)   56  0.750850D+00         -0.124447         -0.286550
 Vib (Bot)   57  0.743408D+00         -0.128773         -0.296510
 Vib (Bot)   58  0.722911D+00         -0.140915         -0.324469
 Vib (Bot)   59  0.707058D+00         -0.150545         -0.346642
 Vib (Bot)   60  0.689192D+00         -0.161660         -0.372236
 Vib (Bot)   61  0.646803D+00         -0.189228         -0.435713
 Vib (Bot)   62  0.646429D+00         -0.189479         -0.436292
 Vib (Bot)   63  0.646405D+00         -0.189495         -0.436329
 Vib (Bot)   64  0.642907D+00         -0.191852         -0.441755
 Vib (Bot)   65  0.617862D+00         -0.209109         -0.481490
 Vib (Bot)   66  0.594692D+00         -0.225708         -0.519711
 Vib (Bot)   67  0.584129D+00         -0.233491         -0.537634
 Vib (Bot)   68  0.557697D+00         -0.253602         -0.583940
 Vib (Bot)   69  0.540117D+00         -0.267512         -0.615969
 Vib (Bot)   70  0.514960D+00         -0.288226         -0.663666
 Vib (Bot)   71  0.504876D+00         -0.296815         -0.683441
 Vib (Bot)   72  0.500911D+00         -0.300240         -0.691328
 Vib (Bot)   73  0.487104D+00         -0.312378         -0.719278
 Vib (Bot)   74  0.463867D+00         -0.333607         -0.768158
 Vib (Bot)   75  0.451036D+00         -0.345788         -0.796207
 Vib (Bot)   76  0.431749D+00         -0.364769         -0.839912
 Vib (Bot)   77  0.421590D+00         -0.375110         -0.863722
 Vib (Bot)   78  0.412791D+00         -0.384270         -0.884814
 Vib (Bot)   79  0.410633D+00         -0.386546         -0.890056
 Vib (Bot)   80  0.409704D+00         -0.387529         -0.892319
 Vib (Bot)   81  0.407958D+00         -0.389385         -0.896591
 Vib (Bot)   82  0.405073D+00         -0.392467         -0.903688
 Vib (Bot)   83  0.403526D+00         -0.394128         -0.907514
 Vib (Bot)   84  0.399840D+00         -0.398114         -0.916692
 Vib (Bot)   85  0.397868D+00         -0.400261         -0.921635
 Vib (Bot)   86  0.396691D+00         -0.401548         -0.924598
 Vib (Bot)   87  0.394668D+00         -0.403768         -0.929711
 Vib (Bot)   88  0.392966D+00         -0.405645         -0.934032
 Vib (Bot)   89  0.386938D+00         -0.412359         -0.949491
 Vib (Bot)   90  0.386224D+00         -0.413160         -0.951336
 Vib (Bot)   91  0.379995D+00         -0.420222         -0.967597
 Vib (Bot)   92  0.375261D+00         -0.425666         -0.980133
 Vib (Bot)   93  0.370698D+00         -0.430980         -0.992369
 Vib (Bot)   94  0.370605D+00         -0.431088         -0.992617
 Vib (Bot)   95  0.370566D+00         -0.431134         -0.992724
 Vib (Bot)   96  0.366053D+00         -0.436457         -1.004978
 Vib (Bot)   97  0.354348D+00         -0.450570         -1.037476
 Vib (Bot)   98  0.336296D+00         -0.473278         -1.089764
 Vib (Bot)   99  0.328853D+00         -0.482999         -1.112145
 Vib (Bot)  100  0.325544D+00         -0.487390         -1.122257
 Vib (Bot)  101  0.311116D+00         -0.507077         -1.167588
 Vib (Bot)  102  0.301402D+00         -0.520854         -1.199311
 Vib (Bot)  103  0.300172D+00         -0.522629         -1.203399
 Vib (Bot)  104  0.297660D+00         -0.526279         -1.211803
 Vib (Bot)  105  0.291964D+00         -0.534671         -1.231126
 Vib (Bot)  106  0.288217D+00         -0.540280         -1.244040
 Vib (Bot)  107  0.285388D+00         -0.544564         -1.253905
 Vib (Bot)  108  0.280333D+00         -0.552326         -1.271778
 Vib (Bot)  109  0.270261D+00         -0.568216         -1.308367
 Vib (Bot)  110  0.264299D+00         -0.577905         -1.330676
 Vib (Bot)  111  0.264264D+00         -0.577962         -1.330807
 Vib (Bot)  112  0.264225D+00         -0.578025         -1.330953
 Vib (Bot)  113  0.260313D+00         -0.584504         -1.345870
 Vib (Bot)  114  0.260297D+00         -0.584531         -1.345933
 Vib (Bot)  115  0.260228D+00         -0.584646         -1.346198
 Vib (Bot)  116  0.243752D+00         -0.613051         -1.411603
 Vib (Bot)  117  0.236646D+00         -0.625901         -1.441190
 Vib (V=0)                            36.023263         82.946629
 Vib (V=0)    1  0.435811D+02          1.639298          3.774623
 Vib (V=0)    2  0.278084D+02          1.444175          3.325336
 Vib (V=0)    3  0.219514D+02          1.341462          3.088829
 Vib (V=0)    4  0.214837D+02          1.332108          3.067293
 Vib (V=0)    5  0.205298D+02          1.312385          3.021878
 Vib (V=0)    6  0.198163D+02          1.297023          2.986506
 Vib (V=0)    7  0.133235D+02          1.124618          2.589529
 Vib (V=0)    8  0.128036D+02          1.107331          2.549725
 Vib (V=0)    9  0.973074D+01          0.988146          2.275290
 Vib (V=0)   10  0.820251D+01          0.913947          2.104440
 Vib (V=0)   11  0.774877D+01          0.889233          2.047534
 Vib (V=0)   12  0.710558D+01          0.851600          1.960881
 Vib (V=0)   13  0.657180D+01          0.817684          1.882788
 Vib (V=0)   14  0.551058D+01          0.741197          1.706669
 Vib (V=0)   15  0.499620D+01          0.698640          1.608677
 Vib (V=0)   16  0.475214D+01          0.676889          1.558594
 Vib (V=0)   17  0.456629D+01          0.659563          1.518701
 Vib (V=0)   18  0.441745D+01          0.645171          1.485562
 Vib (V=0)   19  0.405763D+01          0.608273          1.400599
 Vib (V=0)   20  0.387676D+01          0.588469          1.355000
 Vib (V=0)   21  0.379364D+01          0.579056          1.333325
 Vib (V=0)   22  0.361209D+01          0.557759          1.284287
 Vib (V=0)   23  0.353354D+01          0.548209          1.262299
 Vib (V=0)   24  0.336508D+01          0.526996          1.213452
 Vib (V=0)   25  0.314489D+01          0.497606          1.145780
 Vib (V=0)   26  0.292301D+01          0.465830          1.072613
 Vib (V=0)   27  0.285393D+01          0.455443          1.048696
 Vib (V=0)   28  0.256819D+01          0.409628          0.943202
 Vib (V=0)   29  0.250981D+01          0.399641          0.920207
 Vib (V=0)   30  0.246734D+01          0.392229          0.903140
 Vib (V=0)   31  0.242959D+01          0.385533          0.887722
 Vib (V=0)   32  0.241161D+01          0.382306          0.880293
 Vib (V=0)   33  0.238923D+01          0.378257          0.870969
 Vib (V=0)   34  0.235700D+01          0.372360          0.857392
 Vib (V=0)   35  0.222492D+01          0.347314          0.799720
 Vib (V=0)   36  0.212816D+01          0.328005          0.755258
 Vib (V=0)   37  0.199444D+01          0.299822          0.690365
 Vib (V=0)   38  0.191965D+01          0.283222          0.652143
 Vib (V=0)   39  0.191830D+01          0.282917          0.651440
 Vib (V=0)   40  0.191664D+01          0.282541          0.650575
 Vib (V=0)   41  0.188321D+01          0.274899          0.632977
 Vib (V=0)   42  0.183208D+01          0.262945          0.605453
 Vib (V=0)   43  0.180542D+01          0.256578          0.590792
 Vib (V=0)   44  0.174664D+01          0.242204          0.557695
 Vib (V=0)   45  0.172686D+01          0.237257          0.546304
 Vib (V=0)   46  0.167477D+01          0.223956          0.515678
 Vib (V=0)   47  0.162695D+01          0.211374          0.486707
 Vib (V=0)   48  0.156706D+01          0.195087          0.449204
 Vib (V=0)   49  0.153876D+01          0.187172          0.430979
 Vib (V=0)   50  0.152659D+01          0.183722          0.423035
 Vib (V=0)   51  0.148180D+01          0.170790          0.393259
 Vib (V=0)   52  0.144868D+01          0.160973          0.370654
 Vib (V=0)   53  0.143515D+01          0.156898          0.361271
 Vib (V=0)   54  0.143114D+01          0.155683          0.358474
 Vib (V=0)   55  0.141903D+01          0.151991          0.349973
 Vib (V=0)   56  0.140210D+01          0.146777          0.337968
 Vib (V=0)   57  0.139591D+01          0.144858          0.333547
 Vib (V=0)   58  0.137898D+01          0.139557          0.321342
 Vib (V=0)   59  0.136599D+01          0.135446          0.311876
 Vib (V=0)   60  0.135146D+01          0.130803          0.301186
 Vib (V=0)   61  0.131753D+01          0.119760          0.275758
 Vib (V=0)   62  0.131723D+01          0.119663          0.275534
 Vib (V=0)   63  0.131721D+01          0.119657          0.275519
 Vib (V=0)   64  0.131445D+01          0.118744          0.273419
 Vib (V=0)   65  0.129483D+01          0.112212          0.258379
 Vib (V=0)   66  0.127695D+01          0.106176          0.244478
 Vib (V=0)   67  0.126890D+01          0.103427          0.238150
 Vib (V=0)   68  0.124902D+01          0.096568          0.222356
 Vib (V=0)   69  0.123602D+01          0.092026          0.211897
 Vib (V=0)   70  0.121776D+01          0.085563          0.197016
 Vib (V=0)   71  0.121056D+01          0.082988          0.191086
 Vib (V=0)   72  0.120775D+01          0.081977          0.188760
 Vib (V=0)   73  0.119805D+01          0.078474          0.180693
 Vib (V=0)   74  0.118204D+01          0.072630          0.167238
 Vib (V=0)   75  0.117337D+01          0.069437          0.159884
 Vib (V=0)   76  0.116061D+01          0.064687          0.148947
 Vib (V=0)   77  0.115402D+01          0.062212          0.143249
 Vib (V=0)   78  0.114838D+01          0.060086          0.138352
 Vib (V=0)   79  0.114701D+01          0.059566          0.137157
 Vib (V=0)   80  0.114642D+01          0.059343          0.136643
 Vib (V=0)   81  0.114531D+01          0.058924          0.135679
 Vib (V=0)   82  0.114349D+01          0.058234          0.134088
 Vib (V=0)   83  0.114252D+01          0.057864          0.133237
 Vib (V=0)   84  0.114021D+01          0.056986          0.131214
 Vib (V=0)   85  0.113898D+01          0.056517          0.130135
 Vib (V=0)   86  0.113825D+01          0.056238          0.129492
 Vib (V=0)   87  0.113699D+01          0.055759          0.128389
 Vib (V=0)   88  0.113594D+01          0.055356          0.127462
 Vib (V=0)   89  0.113223D+01          0.053936          0.124193
 Vib (V=0)   90  0.113180D+01          0.053769          0.123808
 Vib (V=0)   91  0.112801D+01          0.052313          0.120455
 Vib (V=0)   92  0.112516D+01          0.051213          0.117922
 Vib (V=0)   93  0.112243D+01          0.050159          0.115494
 Vib (V=0)   94  0.112237D+01          0.050137          0.115445
 Vib (V=0)   95  0.112235D+01          0.050128          0.115424
 Vib (V=0)   96  0.111967D+01          0.049091          0.113037
 Vib (V=0)   97  0.111283D+01          0.046429          0.106908
 Vib (V=0)   98  0.110257D+01          0.042408          0.097647
 Vib (V=0)   99  0.109845D+01          0.040781          0.093901
 Vib (V=0)  100  0.109664D+01          0.040064          0.092251
 Vib (V=0)  101  0.108889D+01          0.036985          0.085160
 Vib (V=0)  102  0.108382D+01          0.034956          0.080490
 Vib (V=0)  103  0.108318D+01          0.034702          0.079905
 Vib (V=0)  104  0.108189D+01          0.034185          0.078714
 Vib (V=0)  105  0.107900D+01          0.033022          0.076036
 Vib (V=0)  106  0.107712D+01          0.032265          0.074292
 Vib (V=0)  107  0.107571D+01          0.031697          0.072984
 Vib (V=0)  108  0.107322D+01          0.030691          0.070668
 Vib (V=0)  109  0.106837D+01          0.028720          0.066131
 Vib (V=0)  110  0.106556D+01          0.027576          0.063497
 Vib (V=0)  111  0.106554D+01          0.027570          0.063482
 Vib (V=0)  112  0.106552D+01          0.027562          0.063465
 Vib (V=0)  113  0.106370D+01          0.026821          0.061758
 Vib (V=0)  114  0.106370D+01          0.026818          0.061751
 Vib (V=0)  115  0.106367D+01          0.026805          0.061721
 Vib (V=0)  116  0.105625D+01          0.023767          0.054726
 Vib (V=0)  117  0.105317D+01          0.022500          0.051808
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.158386D+10          9.199718         21.183132
 Rotational      0.991464D+09          8.996277         20.714694
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002334   -0.000002118    0.000000032
      2        6          -0.000000897    0.000000333    0.000001345
      3        6           0.000000987    0.000001514   -0.000000239
      4        6          -0.000006340    0.000000520   -0.000004100
      5        6           0.000001347   -0.000000305    0.000001279
      6        6          -0.000000078    0.000000193    0.000000795
      7        6           0.000003487   -0.000001425    0.000001064
      8        6          -0.000002058    0.000003363    0.000002035
      9        6           0.000013422   -0.000006550    0.000004471
     10        6           0.000004054   -0.000002186   -0.000001492
     11        6           0.000000325   -0.000000701   -0.000003494
     12        6          -0.000001829    0.000001213    0.000000032
     13        6           0.000001837   -0.000000015    0.000001000
     14        6          -0.000000113   -0.000001027   -0.000000738
     15        7          -0.000018733    0.000003993   -0.000003541
     16        6           0.000002066    0.000005331    0.000001937
     17        6          -0.000003928   -0.000002212    0.000000051
     18        7           0.000001528   -0.000000604    0.000000075
     19        6           0.000000831   -0.000000203   -0.000000092
     20        6          -0.000000352   -0.000001435    0.000000598
     21        6          -0.000001966    0.000000710   -0.000000386
     22        6           0.000002378    0.000000546    0.000000001
     23        6          -0.000002880    0.000001401   -0.000000054
     24        6          -0.000000219    0.000000002    0.000000144
     25        6           0.000001035    0.000001171   -0.000000018
     26        6           0.000000116    0.000000264   -0.000001439
     27        6           0.000000470    0.000000124    0.000000003
     28        6           0.000000185    0.000000383   -0.000000179
     29        6          -0.000000099   -0.000000465   -0.000000290
     30        6           0.000000508   -0.000000557    0.000000957
     31        6           0.000000662    0.000000307   -0.000000661
     32        6          -0.000000303   -0.000000265    0.000000299
     33        6           0.000000544   -0.000000207    0.000000659
     34        6          -0.000000259    0.000000614   -0.000000222
     35        6           0.000000658   -0.000000601    0.000000852
     36        6           0.000000376   -0.000000179   -0.000000291
     37        6          -0.000000276   -0.000000132   -0.000000236
     38        6          -0.000000661    0.000000099    0.000000168
     39        6           0.000000907    0.000000049   -0.000000218
     40        6          -0.000000563   -0.000000348    0.000000008
     41        7          -0.000000729    0.000000025   -0.000001986
     42        7          -0.000000117    0.000000163    0.000001608
     43        7          -0.000000038    0.000000380    0.000000181
     44        6           0.000000625   -0.000000873   -0.000000805
     45        6          -0.000000330    0.000000487    0.000000068
     46        6           0.000000688   -0.000000439   -0.000000177
     47        6          -0.000000817    0.000000520   -0.000000427
     48        6          -0.000000258   -0.000000205    0.000001158
     49        6           0.000000404    0.000000767    0.000000429
     50        6          -0.000000245   -0.000000726    0.000000051
     51        6           0.000000236    0.000000050    0.000000306
     52        6          -0.000000312    0.000000312   -0.000000356
     53        6           0.000000325   -0.000000618   -0.000000010
     54        6          -0.000000596    0.000000747    0.000000094
     55        6           0.000000589   -0.000000126    0.000000061
     56        6          -0.000000192   -0.000000327    0.000000346
     57        6           0.000000213    0.000000293   -0.000000194
     58        6          -0.000000169   -0.000000007    0.000000219
     59        6           0.000000258   -0.000000284   -0.000000084
     60        6          -0.000000286    0.000000168    0.000000582
     61        6           0.000000191   -0.000000247   -0.000000134
     62        6           0.000000295   -0.000000154    0.000000517
     63        6          -0.000000074    0.000000012   -0.000000299
     64        6          -0.000000308    0.000000001    0.000000159
     65        6           0.000000142    0.000000005   -0.000000277
     66        6           0.000000107    0.000000076    0.000000123
     67        6          -0.000000193   -0.000000403   -0.000000430
     68        6           0.000000218    0.000000153   -0.000000259
     69        6          -0.000000162   -0.000000268   -0.000000106
     70        6           0.000000124   -0.000000252    0.000000302
     71        6          -0.000000254   -0.000000043   -0.000000491
     72        6           0.000000145    0.000000033   -0.000000558
     73        6          -0.000000075    0.000000044    0.000000318
     74        6           0.000000220   -0.000000121   -0.000000074
     75        6          -0.000000371    0.000000360   -0.000000124
     76        6           0.000000205   -0.000000366   -0.000000063
     77        6          -0.000000160    0.000000235    0.000000023
     78        6          -0.000000337   -0.000000070   -0.000000351
     79        6           0.000000234    0.000000284    0.000000185
     80        8           0.000000529    0.000000151   -0.000000026
     81       15           0.000002508   -0.000001570   -0.000000128
     82        8           0.000000756   -0.000003101   -0.000001107
     83        8          -0.000001104    0.000000959   -0.000000351
     84        6          -0.000005615    0.000004252   -0.000002244
     85        6           0.000001260    0.000000109    0.000000342
     86        6          -0.000000610   -0.000000916   -0.000000193
     87        6           0.000000893    0.000000556    0.000000426
     88        1           0.000000302   -0.000000822    0.000000094
     89        1          -0.000000209    0.000000131   -0.000000574
     90        1           0.000000063    0.000000113   -0.000000141
     91        1          -0.000000057    0.000000700    0.000000106
     92        1          -0.000000140   -0.000000294    0.000000292
     93        1          -0.000000360   -0.000000409    0.000000255
     94        1           0.000000285    0.000000359   -0.000000220
     95        1           0.000000116   -0.000000024    0.000000022
     96        1          -0.000000397    0.000000263   -0.000000091
     97        1           0.000000208   -0.000000017    0.000000406
     98        1          -0.000000082   -0.000000056   -0.000000055
     99        1          -0.000000099   -0.000000134    0.000000061
    100        1           0.000000161    0.000000328   -0.000000029
    101        1          -0.000000214    0.000000065    0.000000251
    102        1          -0.000000055    0.000000102   -0.000000021
    103        1          -0.000000162   -0.000000172    0.000000061
    104        1          -0.000000246   -0.000000006   -0.000000149
    105        1           0.000000071   -0.000000038    0.000000023
    106        1           0.000000105    0.000000064   -0.000000008
    107        1          -0.000000029    0.000000137   -0.000000027
    108        1          -0.000000126    0.000000177    0.000000045
    109        1          -0.000000006   -0.000000023   -0.000000098
    110        1          -0.000000099   -0.000000185    0.000000213
    111        1           0.000000097   -0.000000108   -0.000000114
    112        1           0.000000068   -0.000000054    0.000000154
    113        1           0.000000119    0.000000063   -0.000000086
    114        1          -0.000000052    0.000000008    0.000000163
    115        1           0.000000052   -0.000000033   -0.000000181
    116        1           0.000000027   -0.000000199    0.000000125
    117        1           0.000000007    0.000000039   -0.000000057
    118        1          -0.000000132   -0.000000051    0.000000118
    119        1          -0.000000120   -0.000000060   -0.000000137
    120        1           0.000000078   -0.000000116    0.000000225
    121        1           0.000000175   -0.000000035   -0.000000078
    122        1          -0.000000020   -0.000000004    0.000000122
    123        1          -0.000000075   -0.000000025   -0.000000172
    124        1          -0.000000062   -0.000000150    0.000000198
    125        1          -0.000000017    0.000000054    0.000000160
    126        1          -0.000000028    0.000000058   -0.000000254
    127        1          -0.000000014    0.000000177    0.000000035
    128        1          -0.000000171   -0.000000016   -0.000000025
    129        1          -0.000000100    0.000000039    0.000000165
    130        1           0.000000009   -0.000000022   -0.000000143
    131        1           0.000000011    0.000000138    0.000000110
    132        1          -0.000000141    0.000000094   -0.000000158
    133        1           0.000001388   -0.000000579    0.000001885
    134        1           0.000001580   -0.000000544    0.000000990
    135        1           0.000000084    0.000000085    0.000000229
    136        1          -0.000000112    0.000000149   -0.000000100
    137        1          -0.000000071    0.000000074    0.000000051
    138        1          -0.000000553   -0.000000360    0.000000760
    139        1           0.000000050    0.000000070   -0.000000737
    140        1           0.000000019   -0.000000037    0.000000069
    141        1           0.000000019   -0.000000045   -0.000000045
    142        1           0.000000109    0.000000100    0.000000004
    143       17           0.000002423    0.000000410   -0.000000049
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000018733 RMS     0.000001529
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Internal  Forces:  Max     0.000011697 RMS     0.000000656
 Search for a local minimum.
 Step number   1 out of a maximum of    2
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Second derivative matrix not updated -- analytic derivatives used.
 ITU=  0
     Eigenvalues ---    0.00024   0.00123   0.00169   0.00200   0.00273
     Eigenvalues ---    0.00285   0.00402   0.00403   0.00405   0.00417
     Eigenvalues ---    0.00494   0.00666   0.00687   0.00688   0.00697
     Eigenvalues ---    0.00745   0.00757   0.00762   0.00942   0.01089
     Eigenvalues ---    0.01112   0.01155   0.01157   0.01160   0.01387
     Eigenvalues ---    0.01388   0.01390   0.01406   0.01539   0.01598
     Eigenvalues ---    0.01623   0.01624   0.01625   0.01633   0.01643
     Eigenvalues ---    0.01654   0.01658   0.01658   0.01661   0.01700
     Eigenvalues ---    0.01702   0.01703   0.01709   0.01734   0.01736
     Eigenvalues ---    0.01764   0.01787   0.01788   0.01790   0.01791
     Eigenvalues ---    0.01796   0.01796   0.01842   0.01873   0.01874
     Eigenvalues ---    0.01877   0.01892   0.01939   0.01939   0.01939
     Eigenvalues ---    0.01947   0.01956   0.01959   0.02011   0.02013
     Eigenvalues ---    0.02014   0.02024   0.02028   0.02078   0.02079
     Eigenvalues ---    0.02080   0.02099   0.02161   0.02195   0.02230
     Eigenvalues ---    0.02243   0.02266   0.02288   0.02296   0.02313
     Eigenvalues ---    0.02326   0.02341   0.02342   0.02344   0.02365
     Eigenvalues ---    0.02381   0.02384   0.02384   0.02397   0.02405
     Eigenvalues ---    0.02408   0.02410   0.02422   0.02424   0.02440
     Eigenvalues ---    0.02477   0.02496   0.02512   0.02524   0.02535
     Eigenvalues ---    0.02539   0.02569   0.02664   0.02681   0.02686
     Eigenvalues ---    0.02695   0.02705   0.02716   0.02725   0.02726
     Eigenvalues ---    0.02728   0.02772   0.02772   0.02773   0.02779
     Eigenvalues ---    0.02780   0.02781   0.02851   0.02852   0.02853
     Eigenvalues ---    0.02901   0.02905   0.02905   0.02960   0.02961
     Eigenvalues ---    0.02963   0.03086   0.03111   0.03111   0.03115
     Eigenvalues ---    0.03167   0.03397   0.04376   0.04409   0.04458
     Eigenvalues ---    0.04559   0.04570   0.04722   0.05284   0.05876
     Eigenvalues ---    0.06292   0.06879   0.07370   0.07978   0.09133
     Eigenvalues ---    0.09779   0.10044   0.10677   0.10937   0.10938
     Eigenvalues ---    0.10939   0.11006   0.11009   0.11010   0.11138
     Eigenvalues ---    0.11141   0.11142   0.11243   0.11271   0.11303
     Eigenvalues ---    0.11360   0.11375   0.11383   0.11400   0.11430
     Eigenvalues ---    0.11561   0.11574   0.11589   0.11694   0.11834
     Eigenvalues ---    0.11839   0.11995   0.12017   0.12059   0.12175
     Eigenvalues ---    0.12237   0.12237   0.12238   0.12329   0.12330
     Eigenvalues ---    0.12330   0.12355   0.12355   0.12356   0.12378
     Eigenvalues ---    0.12379   0.12379   0.12387   0.12430   0.12547
     Eigenvalues ---    0.12671   0.12693   0.12705   0.12808   0.12851
     Eigenvalues ---    0.12867   0.12929   0.13250   0.13448   0.13580
     Eigenvalues ---    0.14508   0.14845   0.15760   0.15818   0.16082
     Eigenvalues ---    0.16083   0.16085   0.16261   0.16631   0.16715
     Eigenvalues ---    0.17493   0.17520   0.17549   0.17710   0.17720
     Eigenvalues ---    0.17722   0.18148   0.18498   0.18571   0.18747
     Eigenvalues ---    0.18754   0.18761   0.18774   0.19029   0.19156
     Eigenvalues ---    0.19169   0.19170   0.19176   0.19212   0.19255
     Eigenvalues ---    0.19264   0.19275   0.19285   0.19344   0.19345
     Eigenvalues ---    0.19345   0.19418   0.19484   0.19499   0.19581
     Eigenvalues ---    0.19669   0.19840   0.19997   0.20014   0.20034
     Eigenvalues ---    0.20042   0.20046   0.20102   0.20130   0.20393
     Eigenvalues ---    0.20496   0.21402   0.21455   0.21484   0.21557
     Eigenvalues ---    0.22371   0.22571   0.22695   0.22838   0.22986
     Eigenvalues ---    0.22987   0.22988   0.23127   0.23295   0.23457
     Eigenvalues ---    0.23718   0.24122   0.25500   0.26378   0.27002
     Eigenvalues ---    0.27048   0.27075   0.27703   0.28289   0.28293
     Eigenvalues ---    0.28295   0.28687   0.28882   0.29053   0.29143
     Eigenvalues ---    0.30217   0.30265   0.30301   0.30345   0.30444
     Eigenvalues ---    0.30520   0.30614   0.30648   0.31095   0.31482
     Eigenvalues ---    0.31694   0.32174   0.32353   0.32412   0.33447
     Eigenvalues ---    0.33500   0.34076   0.34110   0.34161   0.34203
     Eigenvalues ---    0.34394   0.34793   0.34838   0.34906   0.34910
     Eigenvalues ---    0.34915   0.35095   0.35247   0.35397   0.35399
     Eigenvalues ---    0.35401   0.35578   0.35588   0.35590   0.35819
     Eigenvalues ---    0.35883   0.35885   0.35893   0.35976   0.36036
     Eigenvalues ---    0.36064   0.36100   0.36105   0.36107   0.36117
     Eigenvalues ---    0.36118   0.36124   0.36140   0.36195   0.36217
     Eigenvalues ---    0.36222   0.36223   0.36232   0.36252   0.36256
     Eigenvalues ---    0.36264   0.36304   0.36334   0.36345   0.36377
     Eigenvalues ---    0.36378   0.36383   0.36396   0.36486   0.36497
     Eigenvalues ---    0.36498   0.36574   0.36585   0.36589   0.36590
     Eigenvalues ---    0.36652   0.36707   0.36828   0.36922   0.37115
     Eigenvalues ---    0.37426   0.37709   0.37932   0.37965   0.38139
     Eigenvalues ---    0.38188   0.38198   0.38399   0.38877   0.39858
     Eigenvalues ---    0.41435   0.41435   0.41436   0.41818   0.41872
     Eigenvalues ---    0.41901   0.41928   0.42069   0.42155   0.42168
     Eigenvalues ---    0.42172   0.42632   0.42776   0.42788   0.42877
     Eigenvalues ---    0.44020   0.44031   0.44075   0.44186   0.44209
     Eigenvalues ---    0.44219   0.44558   0.44741   0.45508   0.45545
     Eigenvalues ---    0.45555   0.45611   0.46039   0.46046   0.46071
     Eigenvalues ---    0.46101   0.46493   0.46565   0.46828   0.46990
     Eigenvalues ---    0.46994   0.47011   0.47071   0.47089   0.47177
     Eigenvalues ---    0.47350   0.47352   0.47353   0.49774   0.50463
     Eigenvalues ---    0.50654   0.50785   0.50788   0.50790   0.51070
     Eigenvalues ---    0.51086   0.51087   0.51178   0.51363   0.51370
     Eigenvalues ---    0.51394   0.64095   0.66219
 Angle between quadratic step and forces=  70.67 degrees.
 Linear search not attempted -- first point.
 Iteration  1 RMS(Cart)=  0.00050098 RMS(Int)=  0.00000018
 Iteration  2 RMS(Cart)=  0.00000027 RMS(Int)=  0.00000000
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.64724  -0.00000   0.00000   0.00000   0.00000   2.64724
    R2        2.66040   0.00000   0.00000   0.00000   0.00000   2.66040
    R3        2.80237   0.00000   0.00000   0.00001   0.00001   2.80238
    R4        2.64593  -0.00000   0.00000  -0.00000  -0.00000   2.64592
    R5        2.04881   0.00000   0.00000   0.00000   0.00000   2.04881
    R6        2.66492  -0.00000   0.00000  -0.00001  -0.00001   2.66491
    R7        2.79049  -0.00000   0.00000  -0.00000  -0.00000   2.79048
    R8        2.64662  -0.00000   0.00000  -0.00000  -0.00000   2.64662
    R9        2.78151   0.00000   0.00000   0.00001   0.00001   2.78153
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   D297      -0.01328  -0.00000   0.00000  -0.00001  -0.00001  -0.01329
   D298       0.01743   0.00000   0.00000  -0.00000  -0.00000   0.01743
   D299      -3.11742  -0.00000   0.00000  -0.00001  -0.00001  -3.11743
   D300      -0.00179  -0.00000   0.00000   0.00000   0.00000  -0.00178
   D301       3.12957   0.00000   0.00000   0.00000   0.00000   3.12957
   D302      -3.11368   0.00000   0.00000  -0.00000  -0.00000  -3.11369
   D303       0.01767   0.00000   0.00000   0.00000   0.00000   0.01767
   D304      -3.12204   0.00000   0.00000  -0.00000  -0.00000  -3.12205
   D305       0.01292   0.00000   0.00000   0.00000   0.00000   0.01293
   D306      -0.01682  -0.00000   0.00000  -0.00000  -0.00000  -0.01683
   D307       3.11814   0.00000   0.00000   0.00000   0.00000   3.11815
   D308       0.00219   0.00000   0.00000   0.00000   0.00000   0.00219
   D309      -3.12739  -0.00000   0.00000  -0.00001  -0.00001  -3.12740
   D310      -3.12711  -0.00000   0.00000  -0.00000  -0.00000  -3.12711
   D311       0.02650  -0.00000   0.00000  -0.00001  -0.00001   0.02649
   D312      -0.00564  -0.00000   0.00000  -0.00000  -0.00000  -0.00564
   D313       3.14089  -0.00000   0.00000  -0.00000  -0.00000   3.14089
   D314       3.12243  -0.00000   0.00000   0.00000   0.00000   3.12243
   D315      -0.01423   0.00000   0.00000   0.00000   0.00000  -0.01423
   D316      -0.00181  -0.00000   0.00000  -0.00000  -0.00000  -0.00181
   D317      -3.11396  -0.00000   0.00000  -0.00000  -0.00000  -3.11396
   D318       3.12978   0.00000   0.00000   0.00000   0.00000   3.12979
   D319       0.01763   0.00000   0.00000   0.00000   0.00000   0.01763
   D320       3.12275   0.00000   0.00000   0.00001   0.00001   3.12276
   D321      -0.01389   0.00000   0.00000   0.00001   0.00001  -0.01388
   D322      -0.00562  -0.00000   0.00000  -0.00000  -0.00000  -0.00563
   D323       3.14092  -0.00000   0.00000  -0.00000  -0.00000   3.14092
   D324      -3.12231  -0.00000   0.00000  -0.00000  -0.00000  -3.12232
   D325       0.01267  -0.00000   0.00000  -0.00000  -0.00000   0.01267
   D326      -0.01679  -0.00000   0.00000  -0.00000  -0.00000  -0.01679
   D327       3.11820  -0.00000   0.00000   0.00000   0.00000   3.11820
   D328       0.00674  -0.00000   0.00000  -0.00000  -0.00000   0.00674
   D329      -3.13999   0.00000   0.00000   0.00000   0.00000  -3.13998
   D330      -3.12985   0.00000   0.00000   0.00000   0.00000  -3.12985
   D331       0.00660   0.00000   0.00000   0.00001   0.00001   0.00661
   D332      -0.00739  -0.00000   0.00000  -0.00000  -0.00000  -0.00739
   D333       3.13102  -0.00000   0.00000  -0.00000  -0.00000   3.13102
   D334       3.13933  -0.00000   0.00000  -0.00001  -0.00001   3.13932
   D335      -0.00545  -0.00000   0.00000  -0.00001  -0.00001  -0.00545
   D336      -0.00477  -0.00000   0.00000  -0.00000  -0.00000  -0.00477
   D337       3.13001   0.00000   0.00000   0.00000   0.00000   3.13001
   D338       3.13999   0.00000   0.00000   0.00000   0.00000   3.14000
   D339      -0.00842   0.00000   0.00000   0.00001   0.00001  -0.00841
   D340      -0.00472  -0.00000   0.00000  -0.00000  -0.00000  -0.00472
   D341       3.14050   0.00000   0.00000   0.00000   0.00000   3.14050
   D342       3.12923   0.00000   0.00000   0.00000   0.00000   3.12924
   D343      -0.00874   0.00000   0.00000   0.00001   0.00001  -0.00873
   D344      -0.00762  -0.00000   0.00000   0.00000   0.00000  -0.00762
   D345       3.13955  -0.00000   0.00000  -0.00000  -0.00000   3.13955
   D346       3.13033  -0.00000   0.00000  -0.00000  -0.00000   3.13033
   D347      -0.00568  -0.00000   0.00000  -0.00001  -0.00001  -0.00569
   D348       0.00688  -0.00000   0.00000  -0.00000  -0.00000   0.00688
   D349      -3.12946   0.00000   0.00000   0.00000   0.00000  -3.12946
   D350      -3.14031   0.00000   0.00000   0.00000   0.00000  -3.14030
   D351       0.00654   0.00000   0.00000   0.00001   0.00001   0.00654
   D352       0.00663  -0.00000   0.00000  -0.00000  -0.00000   0.00663
   D353      -3.14007   0.00000   0.00000   0.00000   0.00000  -3.14007
   D354      -3.12989  -0.00000   0.00000  -0.00000  -0.00000  -3.12990
   D355       0.00658   0.00000   0.00000   0.00000   0.00000   0.00658
   D356      -0.00737   0.00000   0.00000   0.00000   0.00000  -0.00736
   D357       3.13107  -0.00000   0.00000   0.00000   0.00000   3.13107
   D358       3.13933  -0.00000   0.00000  -0.00000  -0.00000   3.13933
   D359      -0.00542  -0.00000   0.00000  -0.00000  -0.00000  -0.00543
   D360      -0.00466  -0.00000   0.00000  -0.00000  -0.00000  -0.00466
   D361       3.13022   0.00000   0.00000   0.00001   0.00001   3.13023
   D362       3.14008   0.00000   0.00000   0.00000   0.00000   3.14008
   D363      -0.00822   0.00000   0.00000   0.00001   0.00001  -0.00821
   D364      -0.00469   0.00000   0.00000   0.00000   0.00000  -0.00469
   D365       3.14053   0.00000   0.00000   0.00000   0.00000   3.14053
   D366       3.12929   0.00000   0.00000   0.00000   0.00000   3.12929
   D367      -0.00868   0.00000   0.00000   0.00001   0.00001  -0.00868
   D368      -0.00756   0.00000   0.00000   0.00000   0.00000  -0.00756
   D369       3.13954  -0.00000   0.00000  -0.00000  -0.00000   3.13954
   D370       3.13040  -0.00000   0.00000   0.00000   0.00000   3.13040
   D371      -0.00569  -0.00000   0.00000  -0.00001  -0.00001  -0.00569
   D372       0.00685  -0.00000   0.00000  -0.00000  -0.00000   0.00685
   D373      -3.12958   0.00000   0.00000  -0.00000  -0.00000  -3.12958
   D374      -3.14027   0.00000   0.00000   0.00000   0.00000  -3.14026
   D375       0.00649   0.00000   0.00000   0.00001   0.00001   0.00650
   D376      -0.00641   0.00000   0.00000   0.00000   0.00000  -0.00641
   D377       3.14021  -0.00000   0.00000  -0.00000  -0.00000   3.14021
   D378       3.13023  -0.00000   0.00000  -0.00000  -0.00000   3.13023
   D379      -0.00634  -0.00000   0.00000  -0.00001  -0.00001  -0.00634
   D380       0.00712   0.00000   0.00000  -0.00000  -0.00000   0.00712
   D381      -3.13124   0.00000   0.00000   0.00000   0.00000  -3.13123
   D382      -3.13949   0.00000   0.00000   0.00000   0.00000  -3.13948
   D383       0.00534   0.00000   0.00000   0.00001   0.00001   0.00535
   D384       0.00447   0.00000   0.00000   0.00000   0.00000   0.00447
   D385      -3.13054  -0.00000   0.00000  -0.00000  -0.00000  -3.13054
   D386      -3.14035  -0.00000   0.00000  -0.00000  -0.00000  -3.14035
   D387       0.00783  -0.00000   0.00000  -0.00000  -0.00000   0.00783
   D388       0.00448   0.00000   0.00000  -0.00000  -0.00000   0.00448
   D389      -3.14026  -0.00000   0.00000  -0.00000  -0.00000  -3.14026
   D390      -3.13051  -0.00000   0.00000  -0.00001  -0.00001  -3.13051
   D391       0.00794  -0.00000   0.00000  -0.00001  -0.00001   0.00793
   D392       0.00713  -0.00000   0.00000  -0.00000  -0.00000   0.00713
   D393      -3.13942   0.00000   0.00000   0.00000   0.00000  -3.13942
   D394      -3.13130   0.00000   0.00000   0.00000   0.00000  -3.13130
   D395       0.00533   0.00000   0.00000   0.00001   0.00001   0.00534
   D396      -0.00642   0.00000   0.00000   0.00000   0.00000  -0.00642
   D397       3.13023  -0.00000   0.00000   0.00000   0.00000   3.13023
   D398       3.14015  -0.00000   0.00000  -0.00000  -0.00000   3.14015
   D399      -0.00639  -0.00000   0.00000  -0.00000  -0.00000  -0.00639
   D400       1.63514  -0.00000   0.00000  -0.00006  -0.00006   1.63508
   D401      -0.62838  -0.00000   0.00000  -0.00006  -0.00006  -0.62844
   D402      -2.84919  -0.00000   0.00000  -0.00006  -0.00006  -2.84925
   D403      -3.09534   0.00000   0.00000   0.00043   0.00043  -3.09491
   D404      -0.92044   0.00000   0.00000   0.00043   0.00043  -0.92001
   D405       1.29840   0.00000   0.00000   0.00044   0.00044   1.29884
   D406       2.78652   0.00000   0.00000   0.00026   0.00026   2.78678
   D407      -1.38506  -0.00000   0.00000   0.00025   0.00025  -1.38480
   D408       0.66254   0.00000   0.00000   0.00028   0.00028   0.66282
   D409       2.99969   0.00000   0.00000   0.00117   0.00117   3.00086
   D410      -1.17378   0.00000   0.00000   0.00117   0.00117  -1.17261
   D411       0.88348   0.00000   0.00000   0.00116   0.00116   0.88464
   D412       3.11904   0.00000   0.00000   0.00003   0.00003   3.11907
   D413      -1.07738   0.00000   0.00000   0.00003   0.00003  -1.07735
   D414       1.03310   0.00000   0.00000   0.00003   0.00003   1.03313
   D415       1.05366   0.00000   0.00000   0.00002   0.00002   1.05368
   D416       3.14043   0.00000   0.00000   0.00002   0.00002   3.14045
   D417      -1.03228   0.00000   0.00000   0.00002   0.00002  -1.03226
   D418      -1.08187  -0.00000   0.00000   0.00001   0.00001  -1.08187
   D419       1.00489  -0.00000   0.00000   0.00001   0.00001   1.00490
   D420       3.11537  -0.00000   0.00000   0.00001   0.00001   3.11538
   D421       1.25246  -0.00000   0.00000  -0.00012  -0.00012   1.25235
   D422      -2.96898  -0.00000   0.00000  -0.00013  -0.00013  -2.96911
   D423      -0.79574  -0.00000   0.00000  -0.00014  -0.00014  -0.79588
   D424      -1.41879  -0.00000   0.00000  -0.00013  -0.00013  -1.41892
   D425       2.79242   0.00000   0.00000  -0.00010  -0.00010   2.79231
   D426       0.62210   0.00000   0.00000  -0.00010  -0.00010   0.62200
   D427       1.04675   0.00000   0.00000   0.00016   0.00016   1.04691
   D428       3.13645   0.00000   0.00000   0.00016   0.00016   3.13662
   D429      -1.05834   0.00000   0.00000   0.00016   0.00016  -1.05818
   D430      -1.02717  -0.00000   0.00000   0.00012   0.00012  -1.02704
   D431       1.06254  -0.00000   0.00000   0.00013   0.00013   1.06267
   D432      -3.13225  -0.00000   0.00000   0.00013   0.00013  -3.13213
   D433       3.12702   0.00000   0.00000   0.00013   0.00013   3.12715
   D434      -1.06646   0.00000   0.00000   0.00014   0.00014  -1.06633
   D435       1.02193   0.00000   0.00000   0.00013   0.00013   1.02206
   D436      -1.31854   0.00000   0.00000   0.00011   0.00011  -1.31843
   D437      -1.22507  -0.00000   0.00000   0.00007   0.00007  -1.22500
   D438       0.43153   0.00000   0.00000   0.00005   0.00005   0.43158
   D439       1.11008  -0.00000   0.00000   0.00007   0.00007   1.11015
   D440       0.92866   0.00000   0.00000   0.00005   0.00005   0.92871
   D441      -0.39554  -0.00000   0.00000   0.00000   0.00000  -0.39553
         Item               Value     Threshold  Converged?
 Maximum Force            0.000012     0.000450     YES
 RMS     Force            0.000001     0.000300     YES
 Maximum Displacement     0.004308     0.001800     NO 
 RMS     Displacement     0.000501     0.001200     YES
 Predicted change in Energy=-8.121907D-09
                           ----------------------------
                           ! Non-Optimized Parameters !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,2)                  1.4009         -DE/DX =    0.0                 !
 ! R2    R(1,6)                  1.4078         -DE/DX =    0.0                 !
 ! R3    R(1,23)                 1.483          -DE/DX =    0.0                 !
 ! R4    R(2,3)                  1.4002         -DE/DX =    0.0                 !
 ! R5    R(2,88)                 1.0842         -DE/DX =    0.0                 !
 ! R6    R(3,4)                  1.4102         -DE/DX =    0.0                 !
 ! R7    R(3,7)                  1.4767         -DE/DX =    0.0                 !
 ! R8    R(4,5)                  1.4005         -DE/DX =    0.0                 !
 ! R9    R(4,10)                 1.4719         -DE/DX =    0.0                 !
 ! R10   R(5,6)                  1.3866         -DE/DX =    0.0                 !
 ! R11   R(5,89)                 1.084          -DE/DX =    0.0                 !
 ! R12   R(6,90)                 1.0853         -DE/DX =    0.0                 !
 ! R13   R(7,8)                  1.4175         -DE/DX =    0.0                 !
 ! R14   R(7,11)                 1.3994         -DE/DX =    0.0                 !
 ! R15   R(8,9)                  1.5051         -DE/DX =    0.0                 !
 ! R16   R(8,14)                 1.399          -DE/DX =    0.0                 !
 ! R17   R(9,10)                 1.5081         -DE/DX =    0.0                 !
 ! R18   R(9,15)                 1.4313         -DE/DX =    0.0                 !
 ! R19   R(9,143)                2.0656         -DE/DX =    0.0                 !
 ! R20   R(10,18)                1.2869         -DE/DX =    0.0                 !
 ! R21   R(11,12)                1.4008         -DE/DX =    0.0                 !
 ! R22   R(11,91)                1.0837         -DE/DX =    0.0                 !
 ! R23   R(12,13)                1.402          -DE/DX =    0.0                 !
 ! R24   R(12,24)                1.4823         -DE/DX =    0.0                 !
 ! R25   R(13,14)                1.3891         -DE/DX =    0.0                 !
 ! R26   R(13,92)                1.085          -DE/DX =    0.0                 !
 ! R27   R(14,93)                1.0801         -DE/DX =    0.0                 !
 ! R28   R(15,16)                1.4277         -DE/DX =    0.0                 !
 ! R29   R(15,81)                1.7574         -DE/DX =    0.0                 !
 ! R30   R(15,143)               2.8308         -DE/DX =    0.0                 !
 ! R31   R(16,17)                1.4132         -DE/DX =    0.0                 !
 ! R32   R(16,19)                1.4037         -DE/DX =    0.0                 !
 ! R33   R(17,18)                1.3852         -DE/DX =    0.0                 !
 ! R34   R(17,22)                1.402          -DE/DX =    0.0                 !
 ! R35   R(19,20)                1.3894         -DE/DX =    0.0                 !
 ! R36   R(19,94)                1.0784         -DE/DX =    0.0                 !
 ! R37   R(20,21)                1.4066         -DE/DX =    0.0                 !
 ! R38   R(20,95)                1.0855         -DE/DX =    0.0                 !
 ! R39   R(21,22)                1.394          -DE/DX =    0.0                 !
 ! R40   R(21,25)                1.4824         -DE/DX =    0.0                 !
 ! R41   R(22,96)                1.0845         -DE/DX =    0.0                 !
 ! R42   R(23,31)                1.4054         -DE/DX =    0.0                 !
 ! R43   R(23,35)                1.4053         -DE/DX =    0.0                 !
 ! R44   R(24,26)                1.4052         -DE/DX =    0.0                 !
 ! R45   R(24,30)                1.4052         -DE/DX =    0.0                 !
 ! R46   R(25,36)                1.4052         -DE/DX =    0.0                 !
 ! R47   R(25,40)                1.4053         -DE/DX =    0.0                 !
 ! R48   R(26,27)                1.3912         -DE/DX =    0.0                 !
 ! R49   R(26,97)                1.0855         -DE/DX =    0.0                 !
 ! R50   R(27,28)                1.4009         -DE/DX =    0.0                 !
 ! R51   R(27,98)                1.0848         -DE/DX =    0.0                 !
 ! R52   R(28,29)                1.4007         -DE/DX =    0.0                 !
 ! R53   R(28,42)                1.4181         -DE/DX =    0.0                 !
 ! R54   R(29,30)                1.3914         -DE/DX =    0.0                 !
 ! R55   R(29,99)                1.0848         -DE/DX =    0.0                 !
 ! R56   R(30,100)               1.0856         -DE/DX =    0.0                 !
 ! R57   R(31,32)                1.3913         -DE/DX =    0.0                 !
 ! R58   R(31,101)               1.0855         -DE/DX =    0.0                 !
 ! R59   R(32,33)                1.4007         -DE/DX =    0.0                 !
 ! R60   R(32,102)               1.0848         -DE/DX =    0.0                 !
 ! R61   R(33,34)                1.4007         -DE/DX =    0.0                 !
 ! R62   R(33,41)                1.4183         -DE/DX =    0.0                 !
 ! R63   R(34,35)                1.3913         -DE/DX =    0.0                 !
 ! R64   R(34,103)               1.0848         -DE/DX =    0.0                 !
 ! R65   R(35,104)               1.0856         -DE/DX =    0.0                 !
 ! R66   R(36,37)                1.3915         -DE/DX =    0.0                 !
 ! R67   R(36,105)               1.0856         -DE/DX =    0.0                 !
 ! R68   R(37,38)                1.4005         -DE/DX =    0.0                 !
 ! R69   R(37,106)               1.0849         -DE/DX =    0.0                 !
 ! R70   R(38,39)                1.4006         -DE/DX =    0.0                 !
 ! R71   R(38,43)                1.4189         -DE/DX =    0.0                 !
 ! R72   R(39,40)                1.3914         -DE/DX =    0.0                 !
 ! R73   R(39,107)               1.0849         -DE/DX =    0.0                 !
 ! R74   R(40,108)               1.0855         -DE/DX =    0.0                 !
 ! R75   R(41,48)                1.4009         -DE/DX =    0.0                 !
 ! R76   R(41,51)                1.4009         -DE/DX =    0.0                 !
 ! R77   R(42,44)                1.401          -DE/DX =    0.0                 !
 ! R78   R(42,47)                1.4011         -DE/DX =    0.0                 !
 ! R79   R(43,52)                1.4007         -DE/DX =    0.0                 !
 ! R80   R(43,55)                1.4005         -DE/DX =    0.0                 !
 ! R81   R(44,45)                1.418          -DE/DX =    0.0                 !
 ! R82   R(44,60)                1.3976         -DE/DX =    0.0                 !
 ! R83   R(45,46)                1.4481         -DE/DX =    0.0                 !
 ! R84   R(45,63)                1.3996         -DE/DX =    0.0                 !
 ! R85   R(46,47)                1.418          -DE/DX =    0.0                 !
 ! R86   R(46,56)                1.3996         -DE/DX =    0.0                 !
 ! R87   R(47,59)                1.3976         -DE/DX =    0.0                 !
 ! R88   R(48,49)                1.4181         -DE/DX =    0.0                 !
 ! R89   R(48,68)                1.3976         -DE/DX =    0.0                 !
 ! R90   R(49,50)                1.448          -DE/DX =    0.0                 !
 ! R91   R(49,71)                1.3996         -DE/DX =    0.0                 !
 ! R92   R(50,51)                1.4181         -DE/DX =    0.0                 !
 ! R93   R(50,64)                1.3996         -DE/DX =    0.0                 !
 ! R94   R(51,67)                1.3976         -DE/DX =    0.0                 !
 ! R95   R(52,53)                1.4181         -DE/DX =    0.0                 !
 ! R96   R(52,76)                1.3976         -DE/DX =    0.0                 !
 ! R97   R(53,54)                1.448          -DE/DX =    0.0                 !
 ! R98   R(53,79)                1.3997         -DE/DX =    0.0                 !
 ! R99   R(54,55)                1.4182         -DE/DX =    0.0                 !
 ! R100  R(54,72)                1.3996         -DE/DX =    0.0                 !
 ! R101  R(55,75)                1.3976         -DE/DX =    0.0                 !
 ! R102  R(56,57)                1.3916         -DE/DX =    0.0                 !
 ! R103  R(56,109)               1.0863         -DE/DX =    0.0                 !
 ! R104  R(57,58)                1.4051         -DE/DX =    0.0                 !
 ! R105  R(57,110)               1.0856         -DE/DX =    0.0                 !
 ! R106  R(58,59)                1.3931         -DE/DX =    0.0                 !
 ! R107  R(58,111)               1.086          -DE/DX =    0.0                 !
 ! R108  R(59,112)               1.0842         -DE/DX =    0.0                 !
 ! R109  R(60,61)                1.3931         -DE/DX =    0.0                 !
 ! R110  R(60,113)               1.0842         -DE/DX =    0.0                 !
 ! R111  R(61,62)                1.4051         -DE/DX =    0.0                 !
 ! R112  R(61,114)               1.086          -DE/DX =    0.0                 !
 ! R113  R(62,63)                1.3916         -DE/DX =    0.0                 !
 ! R114  R(62,115)               1.0856         -DE/DX =    0.0                 !
 ! R115  R(63,116)               1.0863         -DE/DX =    0.0                 !
 ! R116  R(64,65)                1.3916         -DE/DX =    0.0                 !
 ! R117  R(64,117)               1.0863         -DE/DX =    0.0                 !
 ! R118  R(65,66)                1.4051         -DE/DX =    0.0                 !
 ! R119  R(65,118)               1.0856         -DE/DX =    0.0                 !
 ! R120  R(66,67)                1.3931         -DE/DX =    0.0                 !
 ! R121  R(66,119)               1.086          -DE/DX =    0.0                 !
 ! R122  R(67,120)               1.0842         -DE/DX =    0.0                 !
 ! R123  R(68,69)                1.3931         -DE/DX =    0.0                 !
 ! R124  R(68,121)               1.0842         -DE/DX =    0.0                 !
 ! R125  R(69,70)                1.4052         -DE/DX =    0.0                 !
 ! R126  R(69,122)               1.086          -DE/DX =    0.0                 !
 ! R127  R(70,71)                1.3916         -DE/DX =    0.0                 !
 ! R128  R(70,123)               1.0856         -DE/DX =    0.0                 !
 ! R129  R(71,124)               1.0863         -DE/DX =    0.0                 !
 ! R130  R(72,73)                1.3916         -DE/DX =    0.0                 !
 ! R131  R(72,125)               1.0863         -DE/DX =    0.0                 !
 ! R132  R(73,74)                1.4052         -DE/DX =    0.0                 !
 ! R133  R(73,126)               1.0856         -DE/DX =    0.0                 !
 ! R134  R(74,75)                1.3931         -DE/DX =    0.0                 !
 ! R135  R(74,127)               1.0861         -DE/DX =    0.0                 !
 ! R136  R(75,128)               1.0843         -DE/DX =    0.0                 !
 ! R137  R(76,77)                1.3931         -DE/DX =    0.0                 !
 ! R138  R(76,129)               1.0843         -DE/DX =    0.0                 !
 ! R139  R(77,78)                1.4052         -DE/DX =    0.0                 !
 ! R140  R(77,130)               1.086          -DE/DX =    0.0                 !
 ! R141  R(78,79)                1.3915         -DE/DX =    0.0                 !
 ! R142  R(78,131)               1.0856         -DE/DX =    0.0                 !
 ! R143  R(79,132)               1.0863         -DE/DX =    0.0                 !
 ! R144  R(80,81)                1.4739         -DE/DX =    0.0                 !
 ! R145  R(81,82)                1.604          -DE/DX =    0.0                 !
 ! R146  R(81,83)                1.6111         -DE/DX =    0.0                 !
 ! R147  R(82,84)                1.4627         -DE/DX =    0.0                 !
 ! R148  R(83,86)                1.4582         -DE/DX =    0.0                 !
 ! R149  R(84,85)                1.515          -DE/DX =    0.0                 !
 ! R150  R(84,133)               1.0927         -DE/DX =    0.0                 !
 ! R151  R(84,134)               1.0924         -DE/DX =    0.0                 !
 ! R152  R(85,135)               1.0945         -DE/DX =    0.0                 !
 ! R153  R(85,136)               1.0937         -DE/DX =    0.0                 !
 ! R154  R(85,137)               1.0935         -DE/DX =    0.0                 !
 ! R155  R(86,87)                1.5153         -DE/DX =    0.0                 !
 ! R156  R(86,138)               1.095          -DE/DX =    0.0                 !
 ! R157  R(86,139)               1.094          -DE/DX =    0.0                 !
 ! R158  R(87,140)               1.0934         -DE/DX =    0.0                 !
 ! R159  R(87,141)               1.0944         -DE/DX =    0.0                 !
 ! R160  R(87,142)               1.0933         -DE/DX =    0.0                 !
 ! R161  R(133,143)              3.0155         -DE/DX =    0.0                 !
 ! R162  R(134,143)              3.4051         -DE/DX =    0.0                 !
 ! A1    A(2,1,6)              118.2621         -DE/DX =    0.0                 !
 ! A2    A(2,1,23)             120.8362         -DE/DX =    0.0                 !
 ! A3    A(6,1,23)             120.9017         -DE/DX =    0.0                 !
 ! A4    A(1,2,3)              121.8945         -DE/DX =    0.0                 !
 ! A5    A(1,2,88)             118.6375         -DE/DX =    0.0                 !
 ! A6    A(3,2,88)             119.4261         -DE/DX =    0.0                 !
 ! A7    A(2,3,4)              118.6873         -DE/DX =    0.0                 !
 ! A8    A(2,3,7)              122.971          -DE/DX =    0.0                 !
 ! A9    A(4,3,7)              118.164          -DE/DX =    0.0                 !
 ! A10   A(3,4,5)              119.7846         -DE/DX =    0.0                 !
 ! A11   A(3,4,10)             120.0817         -DE/DX =    0.0                 !
 ! A12   A(5,4,10)             120.106          -DE/DX =    0.0                 !
 ! A13   A(4,5,6)              120.6147         -DE/DX =    0.0                 !
 ! A14   A(4,5,89)             118.409          -DE/DX =    0.0                 !
 ! A15   A(6,5,89)             120.9716         -DE/DX =    0.0                 !
 ! A16   A(1,6,5)              120.67           -DE/DX =    0.0                 !
 ! A17   A(1,6,90)             119.6782         -DE/DX =    0.0                 !
 ! A18   A(5,6,90)             119.6508         -DE/DX =    0.0                 !
 ! A19   A(3,7,8)              119.9985         -DE/DX =    0.0                 !
 ! A20   A(3,7,11)             120.6769         -DE/DX =    0.0                 !
 ! A21   A(8,7,11)             118.9144         -DE/DX =    0.0                 !
 ! A22   A(7,8,9)              118.6366         -DE/DX =    0.0                 !
 ! A23   A(7,8,14)             118.5081         -DE/DX =    0.0                 !
 ! A24   A(9,8,14)             122.6182         -DE/DX =    0.0                 !
 ! A25   A(8,9,10)             110.6812         -DE/DX =    0.0                 !
 ! A26   A(8,9,15)             117.3158         -DE/DX =    0.0                 !
 ! A27   A(8,9,143)            107.177          -DE/DX =    0.0                 !
 ! A28   A(10,9,15)            115.0935         -DE/DX =    0.0                 !
 ! A29   A(10,9,143)            97.5533         -DE/DX =    0.0                 !
 ! A30   A(4,10,9)             115.8371         -DE/DX =    0.0                 !
 ! A31   A(4,10,18)            119.4632         -DE/DX =    0.0                 !
 ! A32   A(9,10,18)            124.556          -DE/DX =    0.0                 !
 ! A33   A(7,11,12)            122.4141         -DE/DX =    0.0                 !
 ! A34   A(7,11,91)            119.0172         -DE/DX =    0.0                 !
 ! A35   A(12,11,91)           118.405          -DE/DX =    0.0                 !
 ! A36   A(11,12,13)           117.6414         -DE/DX =    0.0                 !
 ! A37   A(11,12,24)           120.8647         -DE/DX =    0.0                 !
 ! A38   A(13,12,24)           121.4539         -DE/DX =    0.0                 !
 ! A39   A(12,13,14)           120.8033         -DE/DX =    0.0                 !
 ! A40   A(12,13,92)           120.007          -DE/DX =    0.0                 !
 ! A41   A(14,13,92)           119.1781         -DE/DX =    0.0                 !
 ! A42   A(8,14,13)            121.4156         -DE/DX =    0.0                 !
 ! A43   A(8,14,93)            120.385          -DE/DX =    0.0                 !
 ! A44   A(13,14,93)           118.1812         -DE/DX =    0.0                 !
 ! A45   A(9,15,16)            119.3641         -DE/DX =    0.0                 !
 ! A46   A(9,15,81)            118.0661         -DE/DX =    0.0                 !
 ! A47   A(16,15,81)           119.4482         -DE/DX =    0.0                 !
 ! A48   A(16,15,143)          119.6814         -DE/DX =    0.0                 !
 ! A49   A(81,15,143)           89.6259         -DE/DX =    0.0                 !
 ! A50   A(15,16,17)           119.1207         -DE/DX =    0.0                 !
 ! A51   A(15,16,19)           123.2401         -DE/DX =    0.0                 !
 ! A52   A(17,16,19)           117.593          -DE/DX =    0.0                 !
 ! A53   A(16,17,18)           122.6181         -DE/DX =    0.0                 !
 ! A54   A(16,17,22)           120.5213         -DE/DX =    0.0                 !
 ! A55   A(18,17,22)           116.8506         -DE/DX =    0.0                 !
 ! A56   A(10,18,17)           119.1493         -DE/DX =    0.0                 !
 ! A57   A(16,19,20)           120.8897         -DE/DX =    0.0                 !
 ! A58   A(16,19,94)           120.6795         -DE/DX =    0.0                 !
 ! A59   A(20,19,94)           118.4307         -DE/DX =    0.0                 !
 ! A60   A(19,20,21)           122.167          -DE/DX =    0.0                 !
 ! A61   A(19,20,95)           118.2343         -DE/DX =    0.0                 !
 ! A62   A(21,20,95)           119.5879         -DE/DX =    0.0                 !
 ! A63   A(20,21,22)           116.8022         -DE/DX =    0.0                 !
 ! A64   A(20,21,25)           121.5974         -DE/DX =    0.0                 !
 ! A65   A(22,21,25)           121.5997         -DE/DX =    0.0                 !
 ! A66   A(17,22,21)           122.0149         -DE/DX =    0.0                 !
 ! A67   A(17,22,96)           116.4504         -DE/DX =    0.0                 !
 ! A68   A(21,22,96)           121.5141         -DE/DX =    0.0                 !
 ! A69   A(1,23,31)            121.0004         -DE/DX =    0.0                 !
 ! A70   A(1,23,35)            121.2559         -DE/DX =    0.0                 !
 ! A71   A(31,23,35)           117.7436         -DE/DX =    0.0                 !
 ! A72   A(12,24,26)           121.2731         -DE/DX =    0.0                 !
 ! A73   A(12,24,30)           120.9304         -DE/DX =    0.0                 !
 ! A74   A(26,24,30)           117.7965         -DE/DX =    0.0                 !
 ! A75   A(21,25,36)           121.1898         -DE/DX =    0.0                 !
 ! A76   A(21,25,40)           121.0779         -DE/DX =    0.0                 !
 ! A77   A(36,25,40)           117.7323         -DE/DX =    0.0                 !
 ! A78   A(24,26,27)           121.2887         -DE/DX =    0.0                 !
 ! A79   A(24,26,97)           119.5612         -DE/DX =    0.0                 !
 ! A80   A(27,26,97)           119.1            -DE/DX =    0.0                 !
 ! A81   A(26,27,28)           120.2212         -DE/DX =    0.0                 !
 ! A82   A(26,27,98)           120.3194         -DE/DX =    0.0                 !
 ! A83   A(28,27,98)           119.4459         -DE/DX =    0.0                 !
 ! A84   A(27,28,29)           119.1783         -DE/DX =    0.0                 !
 ! A85   A(27,28,42)           120.3983         -DE/DX =    0.0                 !
 ! A86   A(29,28,42)           120.4234         -DE/DX =    0.0                 !
 ! A87   A(28,29,30)           120.1964         -DE/DX =    0.0                 !
 ! A88   A(28,29,99)           119.4656         -DE/DX =    0.0                 !
 ! A89   A(30,29,99)           120.3234         -DE/DX =    0.0                 !
 ! A90   A(24,30,29)           121.3095         -DE/DX =    0.0                 !
 ! A91   A(24,30,100)          119.4426         -DE/DX =    0.0                 !
 ! A92   A(29,30,100)          119.1941         -DE/DX =    0.0                 !
 ! A93   A(23,31,32)           121.3176         -DE/DX =    0.0                 !
 ! A94   A(23,31,101)          119.4935         -DE/DX =    0.0                 !
 ! A95   A(32,31,101)          119.1372         -DE/DX =    0.0                 !
 ! A96   A(31,32,33)           120.2201         -DE/DX =    0.0                 !
 ! A97   A(31,32,102)          120.3037         -DE/DX =    0.0                 !
 ! A98   A(33,32,102)          119.4625         -DE/DX =    0.0                 !
 ! A99   A(32,33,34)           119.1678         -DE/DX =    0.0                 !
 ! A100  A(32,33,41)           120.4344         -DE/DX =    0.0                 !
 ! A101  A(34,33,41)           120.3978         -DE/DX =    0.0                 !
 ! A102  A(33,34,35)           120.2032         -DE/DX =    0.0                 !
 ! A103  A(33,34,103)          119.4526         -DE/DX =    0.0                 !
 ! A104  A(35,34,103)          120.3298         -DE/DX =    0.0                 !
 ! A105  A(23,35,34)           121.3385         -DE/DX =    0.0                 !
 ! A106  A(23,35,104)          119.5127         -DE/DX =    0.0                 !
 ! A107  A(34,35,104)          119.0975         -DE/DX =    0.0                 !
 ! A108  A(25,36,37)           121.3371         -DE/DX =    0.0                 !
 ! A109  A(25,36,105)          119.5695         -DE/DX =    0.0                 !
 ! A110  A(37,36,105)          119.0449         -DE/DX =    0.0                 !
 ! A111  A(36,37,38)           120.2124         -DE/DX =    0.0                 !
 ! A112  A(36,37,106)          120.3234         -DE/DX =    0.0                 !
 ! A113  A(38,37,106)          119.4502         -DE/DX =    0.0                 !
 ! A114  A(37,38,39)           119.1586         -DE/DX =    0.0                 !
 ! A115  A(37,38,43)           120.4136         -DE/DX =    0.0                 !
 ! A116  A(39,38,43)           120.4279         -DE/DX =    0.0                 !
 ! A117  A(38,39,40)           120.2234         -DE/DX =    0.0                 !
 ! A118  A(38,39,107)          119.4583         -DE/DX =    0.0                 !
 ! A119  A(40,39,107)          120.305          -DE/DX =    0.0                 !
 ! A120  A(25,40,39)           121.3295         -DE/DX =    0.0                 !
 ! A121  A(25,40,108)          119.4881         -DE/DX =    0.0                 !
 ! A122  A(39,40,108)          119.1409         -DE/DX =    0.0                 !
 ! A123  A(33,41,48)           125.8241         -DE/DX =    0.0                 !
 ! A124  A(33,41,51)           125.8354         -DE/DX =    0.0                 !
 ! A125  A(48,41,51)           108.3404         -DE/DX =    0.0                 !
 ! A126  A(28,42,44)           125.8312         -DE/DX =    0.0                 !
 ! A127  A(28,42,47)           125.8297         -DE/DX =    0.0                 !
 ! A128  A(44,42,47)           108.3391         -DE/DX =    0.0                 !
 ! A129  A(38,43,52)           125.8275         -DE/DX =    0.0                 !
 ! A130  A(38,43,55)           125.8278         -DE/DX =    0.0                 !
 ! A131  A(52,43,55)           108.3447         -DE/DX =    0.0                 !
 ! A132  A(42,44,45)           108.9453         -DE/DX =    0.0                 !
 ! A133  A(42,44,60)           129.4742         -DE/DX =    0.0                 !
 ! A134  A(45,44,60)           121.5516         -DE/DX =    0.0                 !
 ! A135  A(44,45,46)           106.8856         -DE/DX =    0.0                 !
 ! A136  A(44,45,63)           119.5372         -DE/DX =    0.0                 !
 ! A137  A(46,45,63)           133.5735         -DE/DX =    0.0                 !
 ! A138  A(45,46,47)           106.8841         -DE/DX =    0.0                 !
 ! A139  A(45,46,56)           133.5732         -DE/DX =    0.0                 !
 ! A140  A(47,46,56)           119.5393         -DE/DX =    0.0                 !
 ! A141  A(42,47,46)           108.9458         -DE/DX =    0.0                 !
 ! A142  A(42,47,59)           129.4802         -DE/DX =    0.0                 !
 ! A143  A(46,47,59)           121.5458         -DE/DX =    0.0                 !
 ! A144  A(41,48,49)           108.9492         -DE/DX =    0.0                 !
 ! A145  A(41,48,68)           129.473          -DE/DX =    0.0                 !
 ! A146  A(49,48,68)           121.5495         -DE/DX =    0.0                 !
 ! A147  A(48,49,50)           106.8806         -DE/DX =    0.0                 !
 ! A148  A(48,49,71)           119.5379         -DE/DX =    0.0                 !
 ! A149  A(50,49,71)           133.578          -DE/DX =    0.0                 !
 ! A150  A(49,50,51)           106.8833         -DE/DX =    0.0                 !
 ! A151  A(49,50,64)           133.5755         -DE/DX =    0.0                 !
 ! A152  A(51,50,64)           119.5376         -DE/DX =    0.0                 !
 ! A153  A(41,51,50)           108.9464         -DE/DX =    0.0                 !
 ! A154  A(41,51,67)           129.4766         -DE/DX =    0.0                 !
 ! A155  A(50,51,67)           121.5491         -DE/DX =    0.0                 !
 ! A156  A(43,52,53)           108.9563         -DE/DX =    0.0                 !
 ! A157  A(43,52,76)           129.4547         -DE/DX =    0.0                 !
 ! A158  A(53,52,76)           121.5627         -DE/DX =    0.0                 !
 ! A159  A(52,53,54)           106.8709         -DE/DX =    0.0                 !
 ! A160  A(52,53,79)           119.5302         -DE/DX =    0.0                 !
 ! A161  A(54,53,79)           133.5954         -DE/DX =    0.0                 !
 ! A162  A(53,54,55)           106.868          -DE/DX =    0.0                 !
 ! A163  A(53,54,72)           133.6003         -DE/DX =    0.0                 !
 ! A164  A(55,54,72)           119.5285         -DE/DX =    0.0                 !
 ! A165  A(43,55,54)           108.96           -DE/DX =    0.0                 !
 ! A166  A(43,55,75)           129.4622         -DE/DX =    0.0                 !
 ! A167  A(54,55,75)           121.5519         -DE/DX =    0.0                 !
 ! A168  A(46,56,57)           119.1657         -DE/DX =    0.0                 !
 ! A169  A(46,56,109)          120.3332         -DE/DX =    0.0                 !
 ! A170  A(57,56,109)          120.5005         -DE/DX =    0.0                 !
 ! A171  A(56,57,58)           120.5551         -DE/DX =    0.0                 !
 ! A172  A(56,57,110)          119.8588         -DE/DX =    0.0                 !
 ! A173  A(58,57,110)          119.5854         -DE/DX =    0.0                 !
 ! A174  A(57,58,59)           121.45           -DE/DX =    0.0                 !
 ! A175  A(57,58,111)          119.4658         -DE/DX =    0.0                 !
 ! A176  A(59,58,111)          119.084          -DE/DX =    0.0                 !
 ! A177  A(47,59,58)           117.735          -DE/DX =    0.0                 !
 ! A178  A(47,59,112)          121.3118         -DE/DX =    0.0                 !
 ! A179  A(58,59,112)          120.952          -DE/DX =    0.0                 !
 ! A180  A(44,60,61)           117.7276         -DE/DX =    0.0                 !
 ! A181  A(44,60,113)          121.3156         -DE/DX =    0.0                 !
 ! A182  A(61,60,113)          120.9553         -DE/DX =    0.0                 !
 ! A183  A(60,61,62)           121.4543         -DE/DX =    0.0                 !
 ! A184  A(60,61,114)          119.076          -DE/DX =    0.0                 !
 ! A185  A(62,61,114)          119.4694         -DE/DX =    0.0                 !
 ! A186  A(61,62,63)           120.5552         -DE/DX =    0.0                 !
 ! A187  A(61,62,115)          119.5905         -DE/DX =    0.0                 !
 ! A188  A(63,62,115)          119.8536         -DE/DX =    0.0                 !
 ! A189  A(45,63,62)           119.1646         -DE/DX =    0.0                 !
 ! A190  A(45,63,116)          120.3333         -DE/DX =    0.0                 !
 ! A191  A(62,63,116)          120.5014         -DE/DX =    0.0                 !
 ! A192  A(50,64,65)           119.1658         -DE/DX =    0.0                 !
 ! A193  A(50,64,117)          120.3317         -DE/DX =    0.0                 !
 ! A194  A(65,64,117)          120.5019         -DE/DX =    0.0                 !
 ! A195  A(64,65,66)           120.5542         -DE/DX =    0.0                 !
 ! A196  A(64,65,118)          119.8559         -DE/DX =    0.0                 !
 ! A197  A(66,65,118)          119.5893         -DE/DX =    0.0                 !
 ! A198  A(65,66,67)           121.4545         -DE/DX =    0.0                 !
 ! A199  A(65,66,119)          119.4707         -DE/DX =    0.0                 !
 ! A200  A(67,66,119)          119.0745         -DE/DX =    0.0                 !
 ! A201  A(51,67,66)           117.7298         -DE/DX =    0.0                 !
 ! A202  A(51,67,120)          121.3138         -DE/DX =    0.0                 !
 ! A203  A(66,67,120)          120.9553         -DE/DX =    0.0                 !
 ! A204  A(48,68,69)           117.7299         -DE/DX =    0.0                 !
 ! A205  A(48,68,121)          121.3117         -DE/DX =    0.0                 !
 ! A206  A(69,68,121)          120.9569         -DE/DX =    0.0                 !
 ! A207  A(68,69,70)           121.4531         -DE/DX =    0.0                 !
 ! A208  A(68,69,122)          119.0783         -DE/DX =    0.0                 !
 ! A209  A(70,69,122)          119.4682         -DE/DX =    0.0                 !
 ! A210  A(69,70,71)           120.5555         -DE/DX =    0.0                 !
 ! A211  A(69,70,123)          119.5863         -DE/DX =    0.0                 !
 ! A212  A(71,70,123)          119.8574         -DE/DX =    0.0                 !
 ! A213  A(49,71,70)           119.1647         -DE/DX =    0.0                 !
 ! A214  A(49,71,124)          120.3324         -DE/DX =    0.0                 !
 ! A215  A(70,71,124)          120.5022         -DE/DX =    0.0                 !
 ! A216  A(54,72,73)           119.1712         -DE/DX =    0.0                 !
 ! A217  A(54,72,125)          120.3315         -DE/DX =    0.0                 !
 ! A218  A(73,72,125)          120.4967         -DE/DX =    0.0                 !
 ! A219  A(72,73,74)           120.5554         -DE/DX =    0.0                 !
 ! A220  A(72,73,126)          119.854          -DE/DX =    0.0                 !
 ! A221  A(74,73,126)          119.59           -DE/DX =    0.0                 !
 ! A222  A(73,74,75)           121.4523         -DE/DX =    0.0                 !
 ! A223  A(73,74,127)          119.463          -DE/DX =    0.0                 !
 ! A224  A(75,74,127)          119.0844         -DE/DX =    0.0                 !
 ! A225  A(55,75,74)           117.7324         -DE/DX =    0.0                 !
 ! A226  A(55,75,128)          121.2818         -DE/DX =    0.0                 !
 ! A227  A(74,75,128)          120.9848         -DE/DX =    0.0                 !
 ! A228  A(52,76,77)           117.7193         -DE/DX =    0.0                 !
 ! A229  A(52,76,129)          121.3047         -DE/DX =    0.0                 !
 ! A230  A(77,76,129)          120.9749         -DE/DX =    0.0                 !
 ! A231  A(76,77,78)           121.4575         -DE/DX =    0.0                 !
 ! A232  A(76,77,130)          119.0753         -DE/DX =    0.0                 !
 ! A233  A(78,77,130)          119.467          -DE/DX =    0.0                 !
 ! A234  A(77,78,79)           120.5596         -DE/DX =    0.0                 !
 ! A235  A(77,78,131)          119.5854         -DE/DX =    0.0                 !
 ! A236  A(79,78,131)          119.8544         -DE/DX =    0.0                 !
 ! A237  A(53,79,78)           119.1622         -DE/DX =    0.0                 !
 ! A238  A(53,79,132)          120.3355         -DE/DX =    0.0                 !
 ! A239  A(78,79,132)          120.5017         -DE/DX =    0.0                 !
 ! A240  A(15,81,80)           115.5855         -DE/DX =    0.0                 !
 ! A241  A(15,81,82)           105.7416         -DE/DX =    0.0                 !
 ! A242  A(15,81,83)            99.1519         -DE/DX =    0.0                 !
 ! A243  A(80,81,82)           116.1876         -DE/DX =    0.0                 !
 ! A244  A(80,81,83)           116.3607         -DE/DX =    0.0                 !
 ! A245  A(82,81,83)           101.5182         -DE/DX =    0.0                 !
 ! A246  A(81,82,84)           121.0794         -DE/DX =    0.0                 !
 ! A247  A(81,83,86)           118.177          -DE/DX =    0.0                 !
 ! A248  A(82,84,85)           107.5141         -DE/DX =    0.0                 !
 ! A249  A(82,84,133)          107.8672         -DE/DX =    0.0                 !
 ! A250  A(82,84,134)          108.5199         -DE/DX =    0.0                 !
 ! A251  A(85,84,133)          112.021          -DE/DX =    0.0                 !
 ! A252  A(85,84,134)          112.3024         -DE/DX =    0.0                 !
 ! A253  A(133,84,134)         108.4665         -DE/DX =    0.0                 !
 ! A254  A(84,85,135)          109.459          -DE/DX =    0.0                 !
 ! A255  A(84,85,136)          111.0266         -DE/DX =    0.0                 !
 ! A256  A(84,85,137)          110.983          -DE/DX =    0.0                 !
 ! A257  A(135,85,136)         108.3424         -DE/DX =    0.0                 !
 ! A258  A(135,85,137)         108.326          -DE/DX =    0.0                 !
 ! A259  A(136,85,137)         108.6239         -DE/DX =    0.0                 !
 ! A260  A(83,86,87)           107.7899         -DE/DX =    0.0                 !
 ! A261  A(83,86,138)          108.3374         -DE/DX =    0.0                 !
 ! A262  A(83,86,139)          108.5261         -DE/DX =    0.0                 !
 ! A263  A(87,86,138)          111.5756         -DE/DX =    0.0                 !
 ! A264  A(87,86,139)          111.7955         -DE/DX =    0.0                 !
 ! A265  A(138,86,139)         108.7113         -DE/DX =    0.0                 !
 ! A266  A(86,87,140)          110.9878         -DE/DX =    0.0                 !
 ! A267  A(86,87,141)          109.6373         -DE/DX =    0.0                 !
 ! A268  A(86,87,142)          110.8434         -DE/DX =    0.0                 !
 ! A269  A(140,87,141)         108.4052         -DE/DX =    0.0                 !
 ! A270  A(140,87,142)         108.475          -DE/DX =    0.0                 !
 ! A271  A(141,87,142)         108.4175         -DE/DX =    0.0                 !
 ! A272  A(84,133,143)         112.9528         -DE/DX =    0.0                 !
 ! A273  A(84,134,143)          90.5335         -DE/DX =    0.0                 !
 ! A274  A(9,143,133)           99.6229         -DE/DX =    0.0                 !
 ! A275  A(9,143,134)          103.5418         -DE/DX =    0.0                 !
 ! A276  A(15,143,133)          71.1395         -DE/DX =    0.0                 !
 ! A277  A(15,143,134)          76.4656         -DE/DX =    0.0                 !
 ! A278  A(133,143,134)         31.3163         -DE/DX =    0.0                 !
 ! D1    D(6,1,2,3)              0.6153         -DE/DX =    0.0                 !
 ! D2    D(6,1,2,88)           178.2473         -DE/DX =    0.0                 !
 ! D3    D(23,1,2,3)          -179.3795         -DE/DX =    0.0                 !
 ! D4    D(23,1,2,88)           -1.7476         -DE/DX =    0.0                 !
 ! D5    D(2,1,6,5)             -1.7659         -DE/DX =    0.0                 !
 ! D6    D(2,1,6,90)           177.872          -DE/DX =    0.0                 !
 ! D7    D(23,1,6,5)           178.229          -DE/DX =    0.0                 !
 ! D8    D(23,1,6,90)           -2.1331         -DE/DX =    0.0                 !
 ! D9    D(2,1,23,31)          142.9147         -DE/DX =    0.0                 !
 ! D10   D(2,1,23,35)          -37.1309         -DE/DX =    0.0                 !
 ! D11   D(6,1,23,31)          -37.0801         -DE/DX =    0.0                 !
 ! D12   D(6,1,23,35)          142.8743         -DE/DX =    0.0                 !
 ! D13   D(1,2,3,4)              1.9387         -DE/DX =    0.0                 !
 ! D14   D(1,2,3,7)           -173.1232         -DE/DX =    0.0                 !
 ! D15   D(88,2,3,4)          -175.6751         -DE/DX =    0.0                 !
 ! D16   D(88,2,3,7)             9.263          -DE/DX =    0.0                 !
 ! D17   D(2,3,4,5)             -3.3752         -DE/DX =    0.0                 !
 ! D18   D(2,3,4,10)           174.7131         -DE/DX =    0.0                 !
 ! D19   D(7,3,4,5)            171.9261         -DE/DX =    0.0                 !
 ! D20   D(7,3,4,10)            -9.9856         -DE/DX =    0.0                 !
 ! D21   D(2,3,7,8)           -166.997          -DE/DX =    0.0                 !
 ! D22   D(2,3,7,11)            20.434          -DE/DX =    0.0                 !
 ! D23   D(4,3,7,8)             17.9168         -DE/DX =    0.0                 !
 ! D24   D(4,3,7,11)          -154.6523         -DE/DX =    0.0                 !
 ! D25   D(3,4,5,6)              2.293          -DE/DX =    0.0                 !
 ! D26   D(3,4,5,89)          -178.4872         -DE/DX =    0.0                 !
 ! D27   D(10,4,5,6)          -175.7948         -DE/DX =    0.0                 !
 ! D28   D(10,4,5,89)            3.425          -DE/DX =    0.0                 !
 ! D29   D(3,4,10,9)           -22.2395         -DE/DX =    0.0                 !
 ! D30   D(3,4,10,18)          161.9178         -DE/DX =    0.0                 !
 ! D31   D(5,4,10,9)           155.8426         -DE/DX =    0.0                 !
 ! D32   D(5,4,10,18)          -20.0001         -DE/DX =    0.0                 !
 ! D33   D(4,5,6,1)              0.3233         -DE/DX =    0.0                 !
 ! D34   D(4,5,6,90)          -179.3147         -DE/DX =    0.0                 !
 ! D35   D(89,5,6,1)          -178.8763         -DE/DX =    0.0                 !
 ! D36   D(89,5,6,90)            1.4857         -DE/DX =    0.0                 !
 ! D37   D(3,7,8,9)              7.4647         -DE/DX =    0.0                 !
 ! D38   D(3,7,8,14)          -167.0895         -DE/DX =    0.0                 !
 ! D39   D(11,7,8,9)          -179.8358         -DE/DX =    0.0                 !
 ! D40   D(11,7,8,14)            5.61           -DE/DX =    0.0                 !
 ! D41   D(3,7,11,12)          171.0916         -DE/DX =    0.0                 !
 ! D42   D(3,7,11,91)           -4.1822         -DE/DX =    0.0                 !
 ! D43   D(8,7,11,12)           -1.5569         -DE/DX =    0.0                 !
 ! D44   D(8,7,11,91)         -176.8307         -DE/DX =    0.0                 !
 ! D45   D(7,8,9,10)           -37.7459         -DE/DX =    0.0                 !
 ! D46   D(7,8,9,15)          -172.5893         -DE/DX =    0.0                 !
 ! D47   D(7,8,9,143)           67.5468         -DE/DX =    0.0                 !
 ! D48   D(14,8,9,10)          136.5718         -DE/DX =    0.0                 !
 ! D49   D(14,8,9,15)            1.7283         -DE/DX =    0.0                 !
 ! D50   D(14,8,9,143)        -118.1355         -DE/DX =    0.0                 !
 ! D51   D(7,8,14,13)           -5.4143         -DE/DX =    0.0                 !
 ! D52   D(7,8,14,93)          173.0074         -DE/DX =    0.0                 !
 ! D53   D(9,8,14,13)         -179.7389         -DE/DX =    0.0                 !
 ! D54   D(9,8,14,93)           -1.3172         -DE/DX =    0.0                 !
 ! D55   D(8,9,10,4)            44.7436         -DE/DX =    0.0                 !
 ! D56   D(8,9,10,18)         -139.6518         -DE/DX =    0.0                 !
 ! D57   D(15,9,10,4)         -179.3337         -DE/DX =    0.0                 !
 ! D58   D(15,9,10,18)          -3.7291         -DE/DX =    0.0                 !
 ! D59   D(143,9,10,4)         -66.8786         -DE/DX =    0.0                 !
 ! D60   D(143,9,10,18)        108.7259         -DE/DX =    0.0                 !
 ! D61   D(8,9,15,16)          136.157          -DE/DX =    0.0                 !
 ! D62   D(8,9,15,81)          -63.9107         -DE/DX =    0.0                 !
 ! D63   D(10,9,15,16)           3.2516         -DE/DX =    0.0                 !
 ! D64   D(10,9,15,81)         163.184          -DE/DX =    0.0                 !
 ! D65   D(8,9,143,133)        136.9517         -DE/DX =    0.0                 !
 ! D66   D(8,9,143,134)        105.2119         -DE/DX =    0.0                 !
 ! D67   D(10,9,143,133)      -108.5995         -DE/DX =    0.0                 !
 ! D68   D(10,9,143,134)      -140.3393         -DE/DX =    0.0                 !
 ! D69   D(4,10,18,17)         177.7813         -DE/DX =    0.0                 !
 ! D70   D(9,10,18,17)           2.3253         -DE/DX =    0.0                 !
 ! D71   D(7,11,12,13)          -2.8169         -DE/DX =    0.0                 !
 ! D72   D(7,11,12,24)         179.4485         -DE/DX =    0.0                 !
 ! D73   D(91,11,12,13)        172.4845         -DE/DX =    0.0                 !
 ! D74   D(91,11,12,24)         -5.25           -DE/DX =    0.0                 !
 ! D75   D(11,12,13,14)          3.1119         -DE/DX =    0.0                 !
 ! D76   D(11,12,13,92)       -178.1392         -DE/DX =    0.0                 !
 ! D77   D(24,12,13,14)       -179.1677         -DE/DX =    0.0                 !
 ! D78   D(24,12,13,92)         -0.4187         -DE/DX =    0.0                 !
 ! D79   D(11,12,24,26)        142.0433         -DE/DX =    0.0                 !
 ! D80   D(11,12,24,30)        -38.041          -DE/DX =    0.0                 !
 ! D81   D(13,12,24,26)        -35.6041         -DE/DX =    0.0                 !
 ! D82   D(13,12,24,30)        144.3117         -DE/DX =    0.0                 !
 ! D83   D(12,13,14,8)           1.0032         -DE/DX =    0.0                 !
 ! D84   D(12,13,14,93)       -177.4522         -DE/DX =    0.0                 !
 ! D85   D(92,13,14,8)        -177.756          -DE/DX =    0.0                 !
 ! D86   D(92,13,14,93)          3.7886         -DE/DX =    0.0                 !
 ! D87   D(9,15,16,17)          -1.7765         -DE/DX =    0.0                 !
 ! D88   D(9,15,16,19)        -179.2435         -DE/DX =    0.0                 !
 ! D89   D(81,15,16,17)       -161.4296         -DE/DX =    0.0                 !
 ! D90   D(81,15,16,19)         21.1033         -DE/DX =    0.0                 !
 ! D91   D(143,15,16,17)       -53.1799         -DE/DX =    0.0                 !
 ! D92   D(143,15,16,19)       129.353          -DE/DX =    0.0                 !
 ! D93   D(9,15,81,80)           7.8738         -DE/DX =    0.0                 !
 ! D94   D(9,15,81,82)        -122.166          -DE/DX =    0.0                 !
 ! D95   D(9,15,81,83)         133.0281         -DE/DX =    0.0                 !
 ! D96   D(16,15,81,80)        167.7888         -DE/DX =    0.0                 !
 ! D97   D(16,15,81,82)         37.749          -DE/DX =    0.0                 !
 ! D98   D(16,15,81,83)        -67.0569         -DE/DX =    0.0                 !
 ! D99   D(143,15,81,80)        43.3885         -DE/DX =    0.0                 !
 ! D100  D(143,15,81,82)       -86.6513         -DE/DX =    0.0                 !
 ! D101  D(143,15,81,83)       168.5427         -DE/DX =    0.0                 !
 ! D102  D(16,15,143,133)      -66.0884         -DE/DX =    0.0                 !
 ! D103  D(16,15,143,134)      -98.2726         -DE/DX =    0.0                 !
 ! D104  D(81,15,143,133)       58.118          -DE/DX =    0.0                 !
 ! D105  D(81,15,143,134)       25.9339         -DE/DX =    0.0                 !
 ! D106  D(15,16,17,18)          0.2218         -DE/DX =    0.0                 !
 ! D107  D(15,16,17,22)       -178.5909         -DE/DX =    0.0                 !
 ! D108  D(19,16,17,18)        177.8315         -DE/DX =    0.0                 !
 ! D109  D(19,16,17,22)         -0.9812         -DE/DX =    0.0                 !
 ! D110  D(15,16,19,20)        178.7111         -DE/DX =    0.0                 !
 ! D111  D(15,16,19,94)         -1.1491         -DE/DX =    0.0                 !
 ! D112  D(17,16,19,20)          1.2078         -DE/DX =    0.0                 !
 ! D113  D(17,16,19,94)       -178.6524         -DE/DX =    0.0                 !
 ! D114  D(16,17,18,10)         -0.4923         -DE/DX =    0.0                 !
 ! D115  D(22,17,18,10)        178.3613         -DE/DX =    0.0                 !
 ! D116  D(16,17,22,21)          0.0621         -DE/DX =    0.0                 !
 ! D117  D(16,17,22,96)        178.4313         -DE/DX =    0.0                 !
 ! D118  D(18,17,22,21)       -178.817          -DE/DX =    0.0                 !
 ! D119  D(18,17,22,96)         -0.4478         -DE/DX =    0.0                 !
 ! D120  D(16,19,20,21)         -0.5284         -DE/DX =    0.0                 !
 ! D121  D(16,19,20,95)        178.2688         -DE/DX =    0.0                 !
 ! D122  D(94,19,20,21)        179.3348         -DE/DX =    0.0                 !
 ! D123  D(94,19,20,95)         -1.868          -DE/DX =    0.0                 !
 ! D124  D(19,20,21,22)         -0.4059         -DE/DX =    0.0                 !
 ! D125  D(19,20,21,25)        179.9102         -DE/DX =    0.0                 !
 ! D126  D(95,20,21,22)       -179.1874         -DE/DX =    0.0                 !
 ! D127  D(95,20,21,25)          1.1288         -DE/DX =    0.0                 !
 ! D128  D(20,21,22,17)          0.633          -DE/DX =    0.0                 !
 ! D129  D(20,21,22,96)       -177.6543         -DE/DX =    0.0                 !
 ! D130  D(25,21,22,17)       -179.6831         -DE/DX =    0.0                 !
 ! D131  D(25,21,22,96)          2.0296         -DE/DX =    0.0                 !
 ! D132  D(20,21,25,36)         35.2883         -DE/DX =    0.0                 !
 ! D133  D(20,21,25,40)       -144.7453         -DE/DX =    0.0                 !
 ! D134  D(22,21,25,36)       -144.3804         -DE/DX =    0.0                 !
 ! D135  D(22,21,25,40)         35.586          -DE/DX =    0.0                 !
 ! D136  D(1,23,31,32)        -179.4951         -DE/DX =    0.0                 !
 ! D137  D(1,23,31,101)         -2.1329         -DE/DX =    0.0                 !
 ! D138  D(35,23,31,32)          0.5489         -DE/DX =    0.0                 !
 ! D139  D(35,23,31,101)       177.9111         -DE/DX =    0.0                 !
 ! D140  D(1,23,35,34)        -179.5963         -DE/DX =    0.0                 !
 ! D141  D(1,23,35,104)         -2.225          -DE/DX =    0.0                 !
 ! D142  D(31,23,35,34)          0.3595         -DE/DX =    0.0                 !
 ! D143  D(31,23,35,104)       177.7308         -DE/DX =    0.0                 !
 ! D144  D(12,24,26,27)       -179.5732         -DE/DX =    0.0                 !
 ! D145  D(12,24,26,97)         -2.1712         -DE/DX =    0.0                 !
 ! D146  D(30,24,26,27)          0.5084         -DE/DX =    0.0                 !
 ! D147  D(30,24,26,97)        177.9104         -DE/DX =    0.0                 !
 ! D148  D(12,24,30,29)       -179.5043         -DE/DX =    0.0                 !
 ! D149  D(12,24,30,100)        -2.1948         -DE/DX =    0.0                 !
 ! D150  D(26,24,30,29)          0.4143         -DE/DX =    0.0                 !
 ! D151  D(26,24,30,100)       177.7239         -DE/DX =    0.0                 !
 ! D152  D(21,25,36,37)        179.5552         -DE/DX =    0.0                 !
 ! D153  D(21,25,36,105)         2.1142         -DE/DX =    0.0                 !
 ! D154  D(40,25,36,37)         -0.4123         -DE/DX =    0.0                 !
 ! D155  D(40,25,36,105)      -177.8533         -DE/DX =    0.0                 !
 ! D156  D(21,25,40,39)        179.6689         -DE/DX =    0.0                 !
 ! D157  D(21,25,40,108)         2.0306         -DE/DX =    0.0                 !
 ! D158  D(36,25,40,39)         -0.3636         -DE/DX =    0.0                 !
 ! D159  D(36,25,40,108)      -178.0018         -DE/DX =    0.0                 !
 ! D160  D(24,26,27,28)         -0.9387         -DE/DX =    0.0                 !
 ! D161  D(24,26,27,98)        177.7188         -DE/DX =    0.0                 !
 ! D162  D(97,26,27,28)       -178.3524         -DE/DX =    0.0                 !
 ! D163  D(97,26,27,98)          0.3051         -DE/DX =    0.0                 !
 ! D164  D(26,27,28,29)          0.4386         -DE/DX =    0.0                 !
 ! D165  D(26,27,28,42)       -179.5577         -DE/DX =    0.0                 !
 ! D166  D(98,27,28,29)       -178.2306         -DE/DX =    0.0                 !
 ! D167  D(98,27,28,42)          1.7731         -DE/DX =    0.0                 !
 ! D168  D(27,28,29,30)          0.4701         -DE/DX =    0.0                 !
 ! D169  D(27,28,29,99)       -178.1458         -DE/DX =    0.0                 !
 ! D170  D(42,28,29,30)       -179.5336         -DE/DX =    0.0                 !
 ! D171  D(42,28,29,99)          1.8504         -DE/DX =    0.0                 !
 ! D172  D(27,28,42,44)         53.8553         -DE/DX =    0.0                 !
 ! D173  D(27,28,42,47)       -126.0566         -DE/DX =    0.0                 !
 ! D174  D(29,28,42,44)       -126.141          -DE/DX =    0.0                 !
 ! D175  D(29,28,42,47)         53.9472         -DE/DX =    0.0                 !
 ! D176  D(28,29,30,24)         -0.906          -DE/DX =    0.0                 !
 ! D177  D(28,29,30,100)      -178.2221         -DE/DX =    0.0                 !
 ! D178  D(99,29,30,24)        177.698          -DE/DX =    0.0                 !
 ! D179  D(99,29,30,100)         0.3819         -DE/DX =    0.0                 !
 ! D180  D(23,31,32,33)         -0.9482         -DE/DX =    0.0                 !
 ! D181  D(23,31,32,102)       177.6995         -DE/DX =    0.0                 !
 ! D182  D(101,31,32,33)      -178.3197         -DE/DX =    0.0                 !
 ! D183  D(101,31,32,102)        0.3281         -DE/DX =    0.0                 !
 ! D184  D(31,32,33,34)          0.4298         -DE/DX =    0.0                 !
 ! D185  D(31,32,33,41)       -179.5231         -DE/DX =    0.0                 !
 ! D186  D(102,32,33,34)      -178.2293         -DE/DX =    0.0                 !
 ! D187  D(102,32,33,41)         1.8178         -DE/DX =    0.0                 !
 ! D188  D(32,33,34,35)          0.4645         -DE/DX =    0.0                 !
 ! D189  D(32,33,34,103)      -178.1603         -DE/DX =    0.0                 !
 ! D190  D(41,33,34,35)       -179.5826         -DE/DX =    0.0                 !
 ! D191  D(41,33,34,103)         1.7926         -DE/DX =    0.0                 !
 ! D192  D(32,33,41,48)       -126.1119         -DE/DX =    0.0                 !
 ! D193  D(32,33,41,51)         54.0556         -DE/DX =    0.0                 !
 ! D194  D(34,33,41,48)         53.9358         -DE/DX =    0.0                 !
 ! D195  D(34,33,41,51)       -125.8967         -DE/DX =    0.0                 !
 ! D196  D(33,34,35,23)         -0.8679         -DE/DX =    0.0                 !
 ! D197  D(33,34,35,104)      -178.2499         -DE/DX =    0.0                 !
 ! D198  D(103,34,35,23)       177.7447         -DE/DX =    0.0                 !
 ! D199  D(103,34,35,104)        0.3627         -DE/DX =    0.0                 !
 ! D200  D(25,36,37,38)          0.7988         -DE/DX =    0.0                 !
 ! D201  D(25,36,37,106)      -177.836          -DE/DX =    0.0                 !
 ! D202  D(105,36,37,38)       178.2529         -DE/DX =    0.0                 !
 ! D203  D(105,36,37,106)       -0.3819         -DE/DX =    0.0                 !
 ! D204  D(36,37,38,39)         -0.4026         -DE/DX =    0.0                 !
 ! D205  D(36,37,38,43)        179.599          -DE/DX =    0.0                 !
 ! D206  D(106,37,38,39)       178.2441         -DE/DX =    0.0                 !
 ! D207  D(106,37,38,43)        -1.7543         -DE/DX =    0.0                 !
 ! D208  D(37,38,39,40)         -0.3612         -DE/DX =    0.0                 !
 ! D209  D(37,38,39,107)       178.3154         -DE/DX =    0.0                 !
 ! D210  D(43,38,39,40)        179.6372         -DE/DX =    0.0                 !
 ! D211  D(43,38,39,107)        -1.6862         -DE/DX =    0.0                 !
 ! D212  D(37,38,43,52)        125.5095         -DE/DX =    0.0                 !
 ! D213  D(37,38,43,55)        -54.5291         -DE/DX =    0.0                 !
 ! D214  D(39,38,43,52)        -54.4889         -DE/DX =    0.0                 !
 ! D215  D(39,38,43,55)        125.4725         -DE/DX =    0.0                 !
 ! D216  D(38,39,40,25)          0.7527         -DE/DX =    0.0                 !
 ! D217  D(38,39,40,108)       178.3989         -DE/DX =    0.0                 !
 ! D218  D(107,39,40,25)      -177.9127         -DE/DX =    0.0                 !
 ! D219  D(107,39,40,108)       -0.2664         -DE/DX =    0.0                 !
 ! D220  D(33,41,48,49)       -179.898          -DE/DX =    0.0                 !
 ! D221  D(33,41,48,68)          2.0486         -DE/DX =    0.0                 !
 ! D222  D(51,41,48,49)         -0.0411         -DE/DX =    0.0                 !
 ! D223  D(51,41,48,68)       -178.0944         -DE/DX =    0.0                 !
 ! D224  D(33,41,51,50)        179.815          -DE/DX =    0.0                 !
 ! D225  D(33,41,51,67)          1.7486         -DE/DX =    0.0                 !
 ! D226  D(48,41,51,50)         -0.042          -DE/DX =    0.0                 !
 ! D227  D(48,41,51,67)       -178.1084         -DE/DX =    0.0                 !
 ! D228  D(28,42,44,45)       -179.9561         -DE/DX =    0.0                 !
 ! D229  D(28,42,44,60)          2.0098         -DE/DX =    0.0                 !
 ! D230  D(47,42,44,45)         -0.0313         -DE/DX =    0.0                 !
 ! D231  D(47,42,44,60)       -178.0654         -DE/DX =    0.0                 !
 ! D232  D(28,42,47,46)        179.8714         -DE/DX =    0.0                 !
 ! D233  D(28,42,47,59)          1.8127         -DE/DX =    0.0                 !
 ! D234  D(44,42,47,46)         -0.0533         -DE/DX =    0.0                 !
 ! D235  D(44,42,47,59)       -178.112          -DE/DX =    0.0                 !
 ! D236  D(38,43,52,53)       -179.9938         -DE/DX =    0.0                 !
 ! D237  D(38,43,52,76)         -1.8712         -DE/DX =    0.0                 !
 ! D238  D(55,43,52,53)          0.0392         -DE/DX =    0.0                 !
 ! D239  D(55,43,52,76)        178.1618         -DE/DX =    0.0                 !
 ! D240  D(38,43,55,54)       -179.9254         -DE/DX =    0.0                 !
 ! D241  D(38,43,55,75)         -1.7872         -DE/DX =    0.0                 !
 ! D242  D(52,43,55,54)          0.0417         -DE/DX =    0.0                 !
 ! D243  D(52,43,55,75)        178.1798         -DE/DX =    0.0                 !
 ! D244  D(42,44,45,46)          0.1011         -DE/DX =    0.0                 !
 ! D245  D(42,44,45,63)       -179.2901         -DE/DX =    0.0                 !
 ! D246  D(60,44,45,46)        178.3204         -DE/DX =    0.0                 !
 ! D247  D(60,44,45,63)         -1.0708         -DE/DX =    0.0                 !
 ! D248  D(42,44,60,61)        178.8384         -DE/DX =    0.0                 !
 ! D249  D(42,44,60,113)        -0.7223         -DE/DX =    0.0                 !
 ! D250  D(45,44,60,61)          1.0205         -DE/DX =    0.0                 !
 ! D251  D(45,44,60,113)      -178.5402         -DE/DX =    0.0                 !
 ! D252  D(44,45,46,47)         -0.1313         -DE/DX =    0.0                 !
 ! D253  D(44,45,46,56)        179.1598         -DE/DX =    0.0                 !
 ! D254  D(63,45,46,47)        179.1377         -DE/DX =    0.0                 !
 ! D255  D(63,45,46,56)         -1.5713         -DE/DX =    0.0                 !
 ! D256  D(44,45,63,62)          0.3386         -DE/DX =    0.0                 !
 ! D257  D(44,45,63,116)      -179.9619         -DE/DX =    0.0                 !
 ! D258  D(46,45,63,62)       -178.8573         -DE/DX =    0.0                 !
 ! D259  D(46,45,63,116)         0.8421         -DE/DX =    0.0                 !
 ! D260  D(45,46,47,42)          0.1146         -DE/DX =    0.0                 !
 ! D261  D(45,46,47,59)        178.3564         -DE/DX =    0.0                 !
 ! D262  D(56,46,47,42)       -179.2951         -DE/DX =    0.0                 !
 ! D263  D(56,46,47,59)         -1.0532         -DE/DX =    0.0                 !
 ! D264  D(45,46,56,57)       -178.8885         -DE/DX =    0.0                 !
 ! D265  D(45,46,56,109)         0.8255         -DE/DX =    0.0                 !
 ! D266  D(47,46,56,57)          0.3318         -DE/DX =    0.0                 !
 ! D267  D(47,46,56,109)      -179.9542         -DE/DX =    0.0                 !
 ! D268  D(42,47,59,58)        178.8533         -DE/DX =    0.0                 !
 ! D269  D(42,47,59,112)        -0.7547         -DE/DX =    0.0                 !
 ! D270  D(46,47,59,58)          1.0079         -DE/DX =    0.0                 !
 ! D271  D(46,47,59,112)      -178.6001         -DE/DX =    0.0                 !
 ! D272  D(41,48,49,50)          0.1055         -DE/DX =    0.0                 !
 ! D273  D(41,48,49,71)       -179.2973         -DE/DX =    0.0                 !
 ! D274  D(68,48,49,50)        178.3423         -DE/DX =    0.0                 !
 ! D275  D(68,48,49,71)         -1.0605         -DE/DX =    0.0                 !
 ! D276  D(41,48,68,69)        178.8512         -DE/DX =    0.0                 !
 ! D277  D(41,48,68,121)        -0.711          -DE/DX =    0.0                 !
 ! D278  D(49,48,68,69)          1.0118         -DE/DX =    0.0                 !
 ! D279  D(49,48,68,121)      -178.5504         -DE/DX =    0.0                 !
 ! D280  D(48,49,50,51)         -0.1288         -DE/DX =    0.0                 !
 ! D281  D(48,49,50,64)        179.1548         -DE/DX =    0.0                 !
 ! D282  D(71,49,50,51)        179.154          -DE/DX =    0.0                 !
 ! D283  D(71,49,50,64)         -1.5624         -DE/DX =    0.0                 !
 ! D284  D(48,49,71,70)          0.3339         -DE/DX =    0.0                 !
 ! D285  D(48,49,71,124)      -179.9616         -DE/DX =    0.0                 !
 ! D286  D(50,49,71,70)       -178.8772         -DE/DX =    0.0                 !
 ! D287  D(50,49,71,124)         0.8272         -DE/DX =    0.0                 !
 ! D288  D(49,50,51,41)          0.1061         -DE/DX =    0.0                 !
 ! D289  D(49,50,51,67)        178.3548         -DE/DX =    0.0                 !
 ! D290  D(64,50,51,41)       -179.2974         -DE/DX =    0.0                 !
 ! D291  D(64,50,51,67)         -1.0487         -DE/DX =    0.0                 !
 ! D292  D(49,50,64,65)       -178.8771         -DE/DX =    0.0                 !
 ! D293  D(49,50,64,117)         0.8333         -DE/DX =    0.0                 !
 ! D294  D(51,50,64,65)          0.335          -DE/DX =    0.0                 !
 ! D295  D(51,50,64,117)      -179.9547         -DE/DX =    0.0                 !
 ! D296  D(41,51,67,66)        178.8527         -DE/DX =    0.0                 !
 ! D297  D(41,51,67,120)        -0.7617         -DE/DX =    0.0                 !
 ! D298  D(50,51,67,66)          0.9989         -DE/DX =    0.0                 !
 ! D299  D(50,51,67,120)      -178.6156         -DE/DX =    0.0                 !
 ! D300  D(43,52,53,54)         -0.1022         -DE/DX =    0.0                 !
 ! D301  D(43,52,53,79)        179.3114         -DE/DX =    0.0                 !
 ! D302  D(76,52,53,54)       -178.401          -DE/DX =    0.0                 !
 ! D303  D(76,52,53,79)          1.0126         -DE/DX =    0.0                 !
 ! D304  D(43,52,76,77)       -178.8801         -DE/DX =    0.0                 !
 ! D305  D(43,52,76,129)         0.7406         -DE/DX =    0.0                 !
 ! D306  D(53,52,76,77)         -0.964          -DE/DX =    0.0                 !
 ! D307  D(53,52,76,129)       178.6566         -DE/DX =    0.0                 !
 ! D308  D(52,53,54,55)          0.1253         -DE/DX =    0.0                 !
 ! D309  D(52,53,54,72)       -179.1866         -DE/DX =    0.0                 !
 ! D310  D(79,53,54,55)       -179.1702         -DE/DX =    0.0                 !
 ! D311  D(79,53,54,72)          1.5179         -DE/DX =    0.0                 !
 ! D312  D(52,53,79,78)         -0.3232         -DE/DX =    0.0                 !
 ! D313  D(52,53,79,132)       179.9597         -DE/DX =    0.0                 !
 ! D314  D(54,53,79,78)        178.902          -DE/DX =    0.0                 !
 ! D315  D(54,53,79,132)        -0.8151         -DE/DX =    0.0                 !
 ! D316  D(53,54,55,43)         -0.1037         -DE/DX =    0.0                 !
 ! D317  D(53,54,55,75)       -178.417          -DE/DX =    0.0                 !
 ! D318  D(72,54,55,43)        179.3236         -DE/DX =    0.0                 !
 ! D319  D(72,54,55,75)          1.0103         -DE/DX =    0.0                 !
 ! D320  D(53,54,72,73)        178.9209         -DE/DX =    0.0                 !
 ! D321  D(53,54,72,125)        -0.7955         -DE/DX =    0.0                 !
 ! D322  D(55,54,72,73)         -0.3223         -DE/DX =    0.0                 !
 ! D323  D(55,54,72,125)       179.9613         -DE/DX =    0.0                 !
 ! D324  D(43,55,75,74)       -178.8957         -DE/DX =    0.0                 !
 ! D325  D(43,55,75,128)         0.7261         -DE/DX =    0.0                 !
 ! D326  D(54,55,75,74)         -0.962          -DE/DX =    0.0                 !
 ! D327  D(54,55,75,128)       178.6598         -DE/DX =    0.0                 !
 ! D328  D(46,56,57,58)          0.3862         -DE/DX =    0.0                 !
 ! D329  D(46,56,57,110)      -179.9079         -DE/DX =    0.0                 !
 ! D330  D(109,56,57,58)      -179.3273         -DE/DX =    0.0                 !
 ! D331  D(109,56,57,110)        0.3786         -DE/DX =    0.0                 !
 ! D332  D(56,57,58,59)         -0.4234         -DE/DX =    0.0                 !
 ! D333  D(56,57,58,111)       179.3943         -DE/DX =    0.0                 !
 ! D334  D(110,57,58,59)       179.8698         -DE/DX =    0.0                 !
 ! D335  D(110,57,58,111)       -0.3124         -DE/DX =    0.0                 !
 ! D336  D(57,58,59,47)         -0.2731         -DE/DX =    0.0                 !
 ! D337  D(57,58,59,112)       179.3363         -DE/DX =    0.0                 !
 ! D338  D(111,58,59,47)       179.9085         -DE/DX =    0.0                 !
 ! D339  D(111,58,59,112)       -0.4821         -DE/DX =    0.0                 !
 ! D340  D(44,60,61,62)         -0.2704         -DE/DX =    0.0                 !
 ! D341  D(44,60,61,114)       179.9375         -DE/DX =    0.0                 !
 ! D342  D(113,60,61,62)       179.292          -DE/DX =    0.0                 !
 ! D343  D(113,60,61,114)       -0.5001         -DE/DX =    0.0                 !
 ! D344  D(60,61,62,63)         -0.4366         -DE/DX =    0.0                 !
 ! D345  D(60,61,62,115)       179.8829         -DE/DX =    0.0                 !
 ! D346  D(114,61,62,63)       179.3547         -DE/DX =    0.0                 !
 ! D347  D(114,61,62,115)       -0.3258         -DE/DX =    0.0                 !
 ! D348  D(61,62,63,45)          0.3942         -DE/DX =    0.0                 !
 ! D349  D(61,62,63,116)      -179.3047         -DE/DX =    0.0                 !
 ! D350  D(115,62,63,45)      -179.9261         -DE/DX =    0.0                 !
 ! D351  D(115,62,63,116)        0.375          -DE/DX =    0.0                 !
 ! D352  D(50,64,65,66)          0.38           -DE/DX =    0.0                 !
 ! D353  D(50,64,65,118)      -179.9129         -DE/DX =    0.0                 !
 ! D354  D(117,64,65,66)      -179.3299         -DE/DX =    0.0                 !
 ! D355  D(117,64,65,118)        0.3772         -DE/DX =    0.0                 !
 ! D356  D(64,65,66,67)         -0.4218         -DE/DX =    0.0                 !
 ! D357  D(64,65,66,119)       179.3969         -DE/DX =    0.0                 !
 ! D358  D(118,65,66,67)       179.8703         -DE/DX =    0.0                 !
 ! D359  D(118,65,66,119)       -0.311          -DE/DX =    0.0                 !
 ! D360  D(65,66,67,51)         -0.2671         -DE/DX =    0.0                 !
 ! D361  D(65,66,67,120)       179.3488         -DE/DX =    0.0                 !
 ! D362  D(119,66,67,51)       179.9135         -DE/DX =    0.0                 !
 ! D363  D(119,66,67,120)       -0.4706         -DE/DX =    0.0                 !
 ! D364  D(48,68,69,70)         -0.2685         -DE/DX =    0.0                 !
 ! D365  D(48,68,69,122)       179.9391         -DE/DX =    0.0                 !
 ! D366  D(121,68,69,70)       179.2953         -DE/DX =    0.0                 !
 ! D367  D(121,68,69,122)       -0.4971         -DE/DX =    0.0                 !
 ! D368  D(68,69,70,71)         -0.4331         -DE/DX =    0.0                 !
 ! D369  D(68,69,70,123)       179.8822         -DE/DX =    0.0                 !
 ! D370  D(122,69,70,71)       179.3585         -DE/DX =    0.0                 !
 ! D371  D(122,69,70,123)       -0.3262         -DE/DX =    0.0                 !
 ! D372  D(69,70,71,49)          0.3923         -DE/DX =    0.0                 !
 ! D373  D(69,70,71,124)      -179.3116         -DE/DX =    0.0                 !
 ! D374  D(123,70,71,49)      -179.9239         -DE/DX =    0.0                 !
 ! D375  D(123,70,71,124)        0.3722         -DE/DX =    0.0                 !
 ! D376  D(54,72,73,74)         -0.3672         -DE/DX =    0.0                 !
 ! D377  D(54,72,73,126)       179.9206         -DE/DX =    0.0                 !
 ! D378  D(125,72,73,74)       179.3487         -DE/DX =    0.0                 !
 ! D379  D(125,72,73,126)       -0.3635         -DE/DX =    0.0                 !
 ! D380  D(72,73,74,75)          0.4079         -DE/DX =    0.0                 !
 ! D381  D(72,73,74,127)      -179.4065         -DE/DX =    0.0                 !
 ! D382  D(126,73,74,75)      -179.8791         -DE/DX =    0.0                 !
 ! D383  D(126,73,74,127)        0.3065         -DE/DX =    0.0                 !
 ! D384  D(73,74,75,55)          0.2562         -DE/DX =    0.0                 !
 ! D385  D(73,74,75,128)      -179.3668         -DE/DX =    0.0                 !
 ! D386  D(127,74,75,55)      -179.9286         -DE/DX =    0.0                 !
 ! D387  D(127,74,75,128)        0.4484         -DE/DX =    0.0                 !
 ! D388  D(52,76,77,78)          0.2568         -DE/DX =    0.0                 !
 ! D389  D(52,76,77,130)      -179.9238         -DE/DX =    0.0                 !
 ! D390  D(129,76,77,78)      -179.3651         -DE/DX =    0.0                 !
 ! D391  D(129,76,77,130)        0.4543         -DE/DX =    0.0                 !
 ! D392  D(76,77,78,79)          0.4085         -DE/DX =    0.0                 !
 ! D393  D(76,77,78,131)      -179.8754         -DE/DX =    0.0                 !
 ! D394  D(130,77,78,79)      -179.4102         -DE/DX =    0.0                 !
 ! D395  D(130,77,78,131)        0.3059         -DE/DX =    0.0                 !
 ! D396  D(77,78,79,53)         -0.3676         -DE/DX =    0.0                 !
 ! D397  D(77,78,79,132)       179.349          -DE/DX =    0.0                 !
 ! D398  D(131,78,79,53)       179.9171         -DE/DX =    0.0                 !
 ! D399  D(131,78,79,132)       -0.3663         -DE/DX =    0.0                 !
 ! D400  D(15,81,82,84)         93.683          -DE/DX =    0.0                 !
 ! D401  D(80,81,82,84)        -36.0069         -DE/DX =    0.0                 !
 ! D402  D(83,81,82,84)       -163.2502         -DE/DX =    0.0                 !
 ! D403  D(15,81,83,86)       -177.3251         -DE/DX =    0.0                 !
 ! D404  D(80,81,83,86)        -52.7125         -DE/DX =    0.0                 !
 ! D405  D(82,81,83,86)         74.4181         -DE/DX =    0.0                 !
 ! D406  D(81,82,84,85)        159.671          -DE/DX =    0.0                 !
 ! D407  D(81,82,84,133)       -79.3434         -DE/DX =    0.0                 !
 ! D408  D(81,82,84,134)        37.9767         -DE/DX =    0.0                 !
 ! D409  D(81,83,86,87)        171.9366         -DE/DX =    0.0                 !
 ! D410  D(81,83,86,138)       -67.1858         -DE/DX =    0.0                 !
 ! D411  D(81,83,86,139)        50.6864         -DE/DX =    0.0                 !
 ! D412  D(82,84,85,135)       178.7096         -DE/DX =    0.0                 !
 ! D413  D(82,84,85,136)       -61.7273         -DE/DX =    0.0                 !
 ! D414  D(82,84,85,137)        59.1941         -DE/DX =    0.0                 !
 ! D415  D(133,84,85,135)       60.3712         -DE/DX =    0.0                 !
 ! D416  D(133,84,85,136)      179.9343         -DE/DX =    0.0                 !
 ! D417  D(133,84,85,137)      -59.1443         -DE/DX =    0.0                 !
 ! D418  D(134,84,85,135)      -61.9863         -DE/DX =    0.0                 !
 ! D419  D(134,84,85,136)       57.5768         -DE/DX =    0.0                 !
 ! D420  D(134,84,85,137)      178.4982         -DE/DX =    0.0                 !
 ! D421  D(82,84,133,143)       71.7542         -DE/DX =    0.0                 !
 ! D422  D(85,84,133,143)     -170.1173         -DE/DX =    0.0                 !
 ! D423  D(134,84,133,143)     -45.6005         -DE/DX =    0.0                 !
 ! D424  D(82,84,134,143)      -81.2981         -DE/DX =    0.0                 !
 ! D425  D(85,84,134,143)      159.9877         -DE/DX =    0.0                 !
 ! D426  D(133,84,134,143)      35.6382         -DE/DX =    0.0                 !
 ! D427  D(83,86,87,140)        59.9835         -DE/DX =    0.0                 !
 ! D428  D(83,86,87,141)       179.7149         -DE/DX =    0.0                 !
 ! D429  D(83,86,87,142)       -60.6291         -DE/DX =    0.0                 !
 ! D430  D(138,86,87,140)      -58.8451         -DE/DX =    0.0                 !
 ! D431  D(138,86,87,141)       60.8863         -DE/DX =    0.0                 !
 ! D432  D(138,86,87,142)     -179.4577         -DE/DX =    0.0                 !
 ! D433  D(139,86,87,140)      179.1726         -DE/DX =    0.0                 !
 ! D434  D(139,86,87,141)      -61.096          -DE/DX =    0.0                 !
 ! D435  D(139,86,87,142)       58.56           -DE/DX =    0.0                 !
 ! D436  D(84,133,143,9)       -75.5403         -DE/DX =    0.0                 !
 ! D437  D(84,133,143,15)      -70.1871         -DE/DX =    0.0                 !
 ! D438  D(84,133,143,134)      24.7278         -DE/DX =    0.0                 !
 ! D439  D(84,134,143,9)        63.607          -DE/DX =    0.0                 !
 ! D440  D(84,134,143,15)       53.2112         -DE/DX =    0.0                 !
 ! D441  D(84,134,143,133)     -22.6624         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad


 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.184034D+01      0.467767D+01      0.156030D+02
   x          0.142970D+01      0.363394D+01      0.121215D+02
   y         -0.115428D+01     -0.293389D+01     -0.978640D+01
   z          0.102101D+00      0.259514D+00      0.865647D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.108306D+04      0.160492D+03      0.178572D+03
   aniso      0.881852D+03      0.130677D+03      0.145398D+03
   xx         0.153423D+04      0.227349D+03      0.252960D+03
   yx         0.737040D+02      0.109218D+02      0.121522D+02
   yy         0.116000D+04      0.171894D+03      0.191258D+03
   zx         0.752340D+02      0.111485D+02      0.124044D+02
   zy        -0.627442D+02     -0.929773D+01     -0.103451D+02
   zz         0.554941D+03      0.822338D+02      0.914974D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.41597040          1.09750913         -9.61206499
     6         -2.54793160         -0.39865372         -7.74443408
     6         -2.08100714         -0.01073845         -5.16908393
     6         -0.48275784          1.99567902         -4.44680862
     6          0.70371853          3.46437875         -6.30147368
     6          0.25258948          3.02219741         -8.84445916
     6         -3.02310665         -1.72586344         -3.17970588
     6         -2.94172234         -0.97024926         -0.61116515
     6         -2.18816178          1.70347381         -0.00005158
     6         -0.12598294          2.59386696         -1.75391146
     6         -3.72888868         -4.20725241         -3.76071398
     6         -4.30120648         -5.99395784         -1.89320048
     6         -4.03694566         -5.25484455          0.63716059
     6         -3.35209004         -2.79722375          1.25523348
     7         -1.82462287          2.32554668          2.60710008
     6          0.31162773          3.80724602          3.32824939
     6          2.05861987          4.56606358          1.45631434
     7          1.78231816          3.93694166         -1.06959980
     6          0.83253617          4.48114722          5.84039402
     6          2.96717640          5.88543167          6.44434923
     6          4.70803929          6.67865513          4.59893267
     6          4.20487788          5.97473319          2.11079812
     6         -1.96217681          0.66418176        -12.32631286
     6         -5.06417322         -8.59941385         -2.58283491
     6          6.97623729          8.17960460          5.26967774
     6         -4.26186350        -10.69300473         -1.15992071
     6         -4.96401139        -13.14004918         -1.81630988
     6         -6.53026685        -13.56098861         -3.90862082
     6         -7.36170563        -11.49214789         -5.33521094
     6         -6.62075407         -9.05442887         -4.68566095
     6         -2.16288658          2.69767170        -14.02286734
     6         -2.69430902          2.30671920        -16.56796531
     6         -3.00547647         -0.15040341        -17.50187136
     6         -2.79173987         -2.19906529        -15.83941184
     6         -2.29470171         -1.78782777        -13.29061644
     6          8.27072069          7.77019876          7.55181050
     6         10.41050180          9.16388621          8.17940516
     6         11.30366467         11.04220616          6.54294609
     6         10.02608240         11.48420121          4.26749775
     6          7.90570246         10.06082732          3.64205241
     7         -3.52853129         -0.55980134        -20.09845844
     7         -7.26474055        -16.05099892         -4.57358388
     7         13.47536698         12.47904419          7.18226864
     6         -8.42117353        -17.80746497         -2.96518339
     6         -8.85699347        -20.07583159         -4.32363245
     6         -7.91906138        -19.67438742         -6.86277932
     6         -6.95498650        -17.17569111         -6.95035632
     6         -5.55861907         -1.95460064        -21.06902006
     6         -5.43034149         -1.93050758        -23.74556823
     6         -3.22359114         -0.46067235        -24.42210816
     6         -2.09993487          0.35602268        -22.13047776
     6         15.63936585         12.76561922          5.68531320
     6         17.38708045         14.33674285          6.97329649
     6         16.22600819         15.03360298          9.35108960
     6         13.82043570         13.85398188          9.41709109
     6         -7.79393545        -21.19676325         -9.02196786
     6         -6.71029233        -20.22680094        -11.21285713
     6         -5.73826936        -17.75624055        -11.25850029
     6         -5.83962488        -16.20085909         -9.13685382
     6         -9.17256568        -17.53820599         -0.44762253
     6        -10.33600366        -19.59651456          0.71026331
     6        -10.75598489        -21.86796684         -0.59919573
     6        -10.02882922        -22.11529152         -3.11422333
     6         -2.11057435          0.20087920        -26.72837998
     6          0.09034377          1.64003004        -26.72308602
     6          1.19450741          2.40948536        -24.43407823
     6          0.12534787          1.77838282        -22.11256876
     6         -7.52447756         -3.16973507        -19.79062115
     6         -9.34819327         -4.40169285        -21.23529071
     6         -9.23385062         -4.42098444        -23.88811325
     6         -7.28709048         -3.18421345        -25.15132587
     6         16.99267836         16.54540810         11.38143071
     6         15.36733215         16.87028202         13.42305180
     6         12.97909204         15.70961392         13.44526489
     6         12.16944093         14.19466853         11.45026832
     6         16.20554996         11.70587938          3.33330435
     6         18.54315737         12.27489232          2.26461788
     6         20.28613760         13.85035882          3.50223153
     6         19.72232865         14.87880170          5.85582595
     8         -6.74835573          1.03096218          3.53253701
    15         -4.44691725          2.14551603          4.63673412
     8         -4.74538316          4.91068907          5.84193325
     8         -3.17321505          0.61322768          6.93877015
     6         -6.42795295          6.78756754          4.70763892
     6         -7.02162782          8.73861271          6.71695397
     6         -4.76334262         -0.07515531          9.08133262
     6         -3.24131202         -1.80677853         10.77980586
     1         -3.87651985         -1.84846112         -8.31936594
     1          1.96023681          4.96591346         -5.69928562
     1          1.20414386          4.16443548        -10.25736711
     1         -3.69775958         -4.81708012         -5.71549031
     1         -4.40570641         -6.59820997          2.14172163
     1         -3.09434345         -2.33519554          3.22664582
     1         -0.41563298          3.91570849          7.34883701
     1          3.26239318          6.40733160          8.40600410
     1          5.48712309          6.44761988          0.58351081
     1         -3.00588607        -10.40994617          0.43703744
     1         -4.27089786        -14.73996872         -0.73818306
     1         -8.62091734        -11.80273717         -6.92277930
     1         -7.32740881         -7.46899271         -5.77909943
     1         -1.97964767          4.61754957        -13.32427153
     1         -2.91188874          3.90253774        -17.83625474
     1         -2.97475819         -4.10818891        -16.56355297
     1         -2.08212683         -3.40199483        -12.04255980
     1          7.64102269          6.28628820          8.82078048
     1         11.42438540          8.77696278          9.91878612
     1         10.67905362         12.97186609          3.01710356
     1          6.91174988         10.46454737          1.89357204
     1         -8.52630392        -23.11398483         -8.98250612
     1         -6.60474385        -21.38807894        -12.90066228
     1         -4.88297151        -17.03956381        -12.98090533
     1         -5.06673960        -14.30388990         -9.18300758
     1         -8.87540887        -15.78531859          0.57075412
     1        -10.93487238        -19.43323649          2.66644703
     1        -11.66451483        -23.43725577          0.36020132
     1        -10.37348676        -23.86475154         -4.13121659
     1         -2.95149031         -0.41040504        -28.49839767
     1          0.96999026          2.16741961        -28.49978191
     1          2.92253079          3.51614458        -24.46836604
     1          1.00109371          2.36342689        -20.35507807
     1         -7.63927184         -3.14633539        -17.74506439
     1        -10.89321452         -5.36111464        -20.28433837
     1        -10.68392382         -5.40210336        -24.95732588
     1         -7.21191646         -3.18239809        -27.20269120
     1         18.83047188         17.45960742         11.35718838
     1         15.94166628         18.03649649         15.01010679
     1         11.73011618         16.00068257         15.04762421
     1         10.31596568         13.32150469         11.47357845
     1         14.87960379         10.47295567          2.37415039
     1         19.02527250         11.47564301          0.43685980
     1         22.09010080         14.25887882          2.61486268
     1         21.07904108         16.08035766          6.81990011
     1         -5.45185076          7.61664164          3.08782391
     1         -8.12179160          5.82347124          4.02703029
     1         -8.24658578         10.20074665          5.91706073
     1         -7.99929224          7.87709646          8.32125450
     1         -5.29484451          9.64211365          7.40422576
     1         -5.31821403          1.65930767         10.06394973
     1         -6.46512474         -1.00474171          8.36454391
     1         -1.53339804         -0.86296106         11.45925833
     1         -4.38123738         -2.35222821         12.41704213
     1         -2.68444509         -3.52195945          9.77153396
    17         -5.02773687          4.03232888         -1.32273894

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.184034D+01      0.467767D+01      0.156030D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.184034D+01      0.467767D+01      0.156030D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.108306D+04      0.160492D+03      0.178572D+03
   aniso      0.881852D+03      0.130677D+03      0.145398D+03
   xx         0.887538D+03      0.131519D+03      0.146335D+03
   yx         0.409936D+03      0.607462D+02      0.675893D+02
   yy         0.103861D+04      0.153906D+03      0.171244D+03
   zx         0.814074D+02      0.120633D+02      0.134223D+02
   zy         0.188822D+03      0.279805D+02      0.311325D+02
   zz         0.132302D+04      0.196051D+03      0.218137D+03

 ----------------------------------------------------------------------
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 THERE ONCE WAS A GIRL NAMED IRENE,
 WHO LIVED ON DISTILLED KEROSENE,
      BUT SHE STARTED ABSORBIN'
      A NEW HYDROCARBON,
 AND SINCE THEN HAS NEVER BENZENE.
 Job cpu time:       1 days 22 hours 21 minutes 14.2 seconds.
 Elapsed time:       0 days  0 hours 43 minutes 38.8 seconds.
 File lengths (MBytes):  RWF=  35717 Int=      0 D2E=      0 Chk=    214 Scr=      1
 Normal termination of Gaussian 16 at Tue Jun 21 11:57:42 2022.
